smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001167529411 781805981 /nfs/dbraw/zinc/80/59/81/781805981.db2.gz LECOIBITEZOQIA-HXUWFJFHSA-N 1 3 359.514 1.884 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001105061037 795104636 /nfs/dbraw/zinc/10/46/36/795104636.db2.gz ZZZXPDYDKIRWPB-YLJYHZDGSA-N 1 3 371.529 1.340 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000419734672 812124658 /nfs/dbraw/zinc/12/46/58/812124658.db2.gz VOZCSXZPLLICFC-LJQANCHMSA-N 1 3 372.513 1.693 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000419734672 812124661 /nfs/dbraw/zinc/12/46/61/812124661.db2.gz VOZCSXZPLLICFC-LJQANCHMSA-N 1 3 372.513 1.693 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCCO3)[C@@H]2CC)CC1 ZINC001087840139 822559102 /nfs/dbraw/zinc/55/91/02/822559102.db2.gz JKBXPXMNXVSCPX-SLFFLAALSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCCO3)[C@@H]2CC)CC1 ZINC001087840139 822559106 /nfs/dbraw/zinc/55/91/06/822559106.db2.gz JKBXPXMNXVSCPX-SLFFLAALSA-N 1 3 361.530 1.870 20 30 FDEDHO C=C(C)C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000262295002 824884670 /nfs/dbraw/zinc/88/46/70/824884670.db2.gz MEFFMFSCUJQEKF-FUHWJXTLSA-N 1 3 361.534 1.545 20 30 FDEDHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4cccc(C#N)c4)C[C@H]3C2)C1 ZINC001088199453 827429783 /nfs/dbraw/zinc/42/97/83/827429783.db2.gz OJTBFLLHPQENNB-AQNXPRMDSA-N 1 3 352.482 1.790 20 30 FDEDHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4cccc(C#N)c4)C[C@H]3C2)C1 ZINC001088199453 827429788 /nfs/dbraw/zinc/42/97/88/827429788.db2.gz OJTBFLLHPQENNB-AQNXPRMDSA-N 1 3 352.482 1.790 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529309873 829816944 /nfs/dbraw/zinc/81/69/44/829816944.db2.gz YTMIQLBMYHQZMT-IBGZPJMESA-N 1 3 364.534 1.827 20 30 FDEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)CC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105655782 842479306 /nfs/dbraw/zinc/47/93/06/842479306.db2.gz KXQUCGNXRMYINP-VGUOSERISA-N 1 3 363.546 1.564 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)CC1 ZINC001076604391 848552435 /nfs/dbraw/zinc/55/24/35/848552435.db2.gz CDXXOZKLGZGYNV-AZUAARDMSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOC4CCC4)C[C@H]32)CC1 ZINC001076604391 848552442 /nfs/dbraw/zinc/55/24/42/848552442.db2.gz CDXXOZKLGZGYNV-AZUAARDMSA-N 1 3 359.514 1.433 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000186878787 881535657 /nfs/dbraw/zinc/53/56/57/881535657.db2.gz OFXBTYUIQJTUNR-MRXNPFEDSA-N 1 3 365.522 1.942 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](OC)C3CCC3)[C@@H]2C)CC1 ZINC001089059159 866381478 /nfs/dbraw/zinc/38/14/78/866381478.db2.gz BMAFCJIXJFGDTJ-UXPWSPDFSA-N 1 3 361.530 1.726 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](OC)C3CCC3)[C@@H]2C)CC1 ZINC001089059159 866381553 /nfs/dbraw/zinc/38/15/53/866381553.db2.gz BMAFCJIXJFGDTJ-UXPWSPDFSA-N 1 3 361.530 1.726 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336623 874814960 /nfs/dbraw/zinc/81/49/60/874814960.db2.gz XDUJUUORKJNCOO-BZUAXINKSA-N 1 3 352.523 1.092 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706562 897758758 /nfs/dbraw/zinc/75/87/58/897758758.db2.gz NDLVDINLXFYMJZ-IXDOHACOSA-N 1 3 352.523 1.236 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706562 897758764 /nfs/dbraw/zinc/75/87/64/897758764.db2.gz NDLVDINLXFYMJZ-IXDOHACOSA-N 1 3 352.523 1.236 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cccc(F)c1 ZINC001079189094 902139842 /nfs/dbraw/zinc/13/98/42/902139842.db2.gz DXSCNULVOMOHIZ-RBUKOAKNSA-N 1 3 355.457 1.971 20 30 FDEDHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082742037 909942966 /nfs/dbraw/zinc/94/29/66/909942966.db2.gz OHHNTDIALMKBRV-QMTMVMCOSA-N 1 3 358.461 1.976 20 30 FDEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001130306854 938804591 /nfs/dbraw/zinc/80/45/91/938804591.db2.gz ATHAFQAGJUOHEV-XLIONFOSSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001130306854 938804594 /nfs/dbraw/zinc/80/45/94/938804594.db2.gz ATHAFQAGJUOHEV-XLIONFOSSA-N 1 3 364.534 1.380 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604463 939915626 /nfs/dbraw/zinc/91/56/26/939915626.db2.gz BDHXOCACBAJUJS-QXAKKESOSA-N 1 3 357.502 1.202 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604463 939915630 /nfs/dbraw/zinc/91/56/30/939915630.db2.gz BDHXOCACBAJUJS-QXAKKESOSA-N 1 3 357.502 1.202 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604499 939915684 /nfs/dbraw/zinc/91/56/84/939915684.db2.gz DKYUICHSKIIRNL-QXAKKESOSA-N 1 3 359.518 1.755 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130662426 939967881 /nfs/dbraw/zinc/96/78/81/939967881.db2.gz XXMDQZMLKPNDKH-QXAKKESOSA-N 1 3 361.534 1.857 20 30 FDEDHO COc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000824820124 946791368 /nfs/dbraw/zinc/79/13/68/946791368.db2.gz ZYKPOWXQWAIYQZ-UHFFFAOYSA-N 1 3 356.470 1.855 20 30 FDEDHO N=C(Nc1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc(C(N)=O)cc1 ZINC001171255519 951647741 /nfs/dbraw/zinc/64/77/41/951647741.db2.gz AYHROIQVWVVDNB-GHTZIAJQSA-N 1 3 364.449 1.843 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000848394093 976715719 /nfs/dbraw/zinc/71/57/19/976715719.db2.gz MWYMFJMZZQHNHG-KRWDZBQOSA-N 1 3 358.442 1.945 20 30 FDEDHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884206621 982982439 /nfs/dbraw/zinc/98/24/39/982982439.db2.gz ZRBFYLWGVOQXSF-WCXALAEXSA-N 1 3 373.545 1.143 20 30 FDEDHO CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000884306597 983070813 /nfs/dbraw/zinc/07/08/13/983070813.db2.gz ISNWAJQVNMHKDY-KYBDOYODSA-N 1 3 352.482 1.859 20 30 FDEDHO CC(C)[NH+]1CCC(CCNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000872222893 987524116 /nfs/dbraw/zinc/52/41/16/987524116.db2.gz IASAMMWGTAWPLT-UHFFFAOYSA-N 1 3 364.515 1.827 20 30 FDEDHO CC(C)N1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000872222893 987524120 /nfs/dbraw/zinc/52/41/20/987524120.db2.gz IASAMMWGTAWPLT-UHFFFAOYSA-N 1 3 364.515 1.827 20 30 FDEDHO C#Cc1ccc(NC(=O)CCN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000930113455 1002832179 /nfs/dbraw/zinc/83/21/79/1002832179.db2.gz LZLBINQEOCOSPQ-UHFFFAOYSA-N 1 3 356.514 1.954 20 30 FDEDHO C#Cc1ccc(NC(=O)CCN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000930113455 1002832198 /nfs/dbraw/zinc/83/21/98/1002832198.db2.gz LZLBINQEOCOSPQ-UHFFFAOYSA-N 1 3 356.514 1.954 20 30 FDEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)CC[N@@H+]1C ZINC000959963817 1009215235 /nfs/dbraw/zinc/21/52/35/1009215235.db2.gz FNEDUOMQKXNWLT-CENDIDJXSA-N 1 3 352.482 1.835 20 30 FDEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)CC[N@H+]1C ZINC000959963817 1009215245 /nfs/dbraw/zinc/21/52/45/1009215245.db2.gz FNEDUOMQKXNWLT-CENDIDJXSA-N 1 3 352.482 1.835 20 30 FDEDHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000171657335 258268128 /nfs/dbraw/zinc/26/81/28/258268128.db2.gz GBPPAKSIASRORN-UHFFFAOYSA-N 1 3 371.485 1.277 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000553326846 543609945 /nfs/dbraw/zinc/60/99/45/543609945.db2.gz GLFWVYBGUYKFLD-WBVHZDCISA-N 1 3 350.507 1.084 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000553326846 543609948 /nfs/dbraw/zinc/60/99/48/543609948.db2.gz GLFWVYBGUYKFLD-WBVHZDCISA-N 1 3 350.507 1.084 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000557767450 544343963 /nfs/dbraw/zinc/34/39/63/544343963.db2.gz NSHQYXNQLMJASC-IRXDYDNUSA-N 1 3 350.507 1.132 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000178727322 525471632 /nfs/dbraw/zinc/47/16/32/525471632.db2.gz WJBSUMPKLVUCLR-MOPGFXCFSA-N 1 3 364.534 1.704 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000266696714 536922804 /nfs/dbraw/zinc/92/28/04/536922804.db2.gz MCGUNEDVVMIANI-UHFFFAOYSA-N 1 3 358.486 1.496 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000283271182 537363652 /nfs/dbraw/zinc/36/36/52/537363652.db2.gz CHUUJLUQCADVPA-SFHVURJKSA-N 1 3 364.534 1.402 20 30 FDEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371821687 537832858 /nfs/dbraw/zinc/83/28/58/537832858.db2.gz CATVAEZHQAZOON-LJQANCHMSA-N 1 3 362.562 1.925 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000414818898 537921173 /nfs/dbraw/zinc/92/11/73/537921173.db2.gz XBASVQKYEGLAAH-UHFFFAOYSA-N 1 3 358.486 1.891 20 30 FDEDHO CN1CCN(CCCNC(=O)[C@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000565713667 547452489 /nfs/dbraw/zinc/45/24/89/547452489.db2.gz JFUAOWITKHCHLL-MOPGFXCFSA-N 1 3 357.502 1.503 20 30 FDEDHO CN1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439819 552310828 /nfs/dbraw/zinc/31/08/28/552310828.db2.gz VMICMTKUPMEOTF-LJQANCHMSA-N 1 3 357.502 1.461 20 30 FDEDHO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000609166852 554345465 /nfs/dbraw/zinc/34/54/65/554345465.db2.gz GGCLMLDZDYEMDI-IBGZPJMESA-N 1 3 357.502 1.988 20 30 FDEDHO C[NH+]=C(NCC1(N2CCC(OC)CC2)CCCC1)N1CCC(O)CC1 ZINC000262771723 672846901 /nfs/dbraw/zinc/84/69/01/672846901.db2.gz HXZNMPDWUPSAQA-UHFFFAOYSA-N 1 3 352.523 1.442 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CS(C)(=O)=O)cc1 ZINC000264076466 672900189 /nfs/dbraw/zinc/90/01/89/672900189.db2.gz FXPKLIRCIXZVHA-MRXNPFEDSA-N 1 3 352.504 1.120 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OCC(F)(F)F ZINC000280887620 675467155 /nfs/dbraw/zinc/46/71/55/675467155.db2.gz BNXSJCZVLZGRBJ-ZDUSSCGKSA-N 1 3 359.396 1.911 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C(C)C ZINC000419574642 680281243 /nfs/dbraw/zinc/28/12/43/680281243.db2.gz VCLLXAMGNGOIOF-IRXDYDNUSA-N 1 3 350.507 1.060 20 30 FDEDHO C=CCC[C@@H](C)NCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105242819 795531865 /nfs/dbraw/zinc/53/18/65/795531865.db2.gz JYRZOHXLXUGYRV-IIDMSEBBSA-N 1 3 360.506 1.446 20 30 FDEDHO C=CCC[C@@H](C)NCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105242819 795531872 /nfs/dbraw/zinc/53/18/72/795531872.db2.gz JYRZOHXLXUGYRV-IIDMSEBBSA-N 1 3 360.506 1.446 20 30 FDEDHO C=CC[C@@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC[NH2+]1 ZINC000662748471 803008574 /nfs/dbraw/zinc/00/85/74/803008574.db2.gz VSPRXTCCZYZMNM-NRFANRHFSA-N 1 3 357.498 1.958 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC#CC)C2)CC1 ZINC001211730279 809674737 /nfs/dbraw/zinc/67/47/37/809674737.db2.gz SRVAFWIUYRFUNG-FCHUYYIVSA-N 1 3 363.505 1.939 20 30 FDEDHO COc1ccc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001028550376 810621985 /nfs/dbraw/zinc/62/19/85/810621985.db2.gz OPOGRTQMLXQGIF-HHXXYDBFSA-N 1 3 370.497 1.845 20 30 FDEDHO COc1ccc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001028550376 810621991 /nfs/dbraw/zinc/62/19/91/810621991.db2.gz OPOGRTQMLXQGIF-HHXXYDBFSA-N 1 3 370.497 1.845 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329696484 825323658 /nfs/dbraw/zinc/32/36/58/825323658.db2.gz BVRDJHIFSIQVFP-BBWFWOEESA-N 1 3 374.533 1.671 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329696484 825323665 /nfs/dbraw/zinc/32/36/65/825323665.db2.gz BVRDJHIFSIQVFP-BBWFWOEESA-N 1 3 374.533 1.671 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000329696484 825323673 /nfs/dbraw/zinc/32/36/73/825323673.db2.gz BVRDJHIFSIQVFP-BBWFWOEESA-N 1 3 374.533 1.671 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000329696484 825323681 /nfs/dbraw/zinc/32/36/81/825323681.db2.gz BVRDJHIFSIQVFP-BBWFWOEESA-N 1 3 374.533 1.671 20 30 FDEDHO CCC(=O)N1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000330033269 825606370 /nfs/dbraw/zinc/60/63/70/825606370.db2.gz VKAQBQVIOCDXHQ-INIZCTEOSA-N 1 3 365.522 1.060 20 30 FDEDHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)cc4)C[C@H]3C2)C1 ZINC001088200039 827433474 /nfs/dbraw/zinc/43/34/74/827433474.db2.gz MVAZRGDMRVHIKG-AQNXPRMDSA-N 1 3 352.482 1.790 20 30 FDEDHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)cc4)C[C@H]3C2)C1 ZINC001088200039 827433477 /nfs/dbraw/zinc/43/34/77/827433477.db2.gz MVAZRGDMRVHIKG-AQNXPRMDSA-N 1 3 352.482 1.790 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000104166698 827839190 /nfs/dbraw/zinc/83/91/90/827839190.db2.gz DLPBTBXDZJPKDI-UXHICEINSA-N 1 3 373.545 1.757 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000478017382 843508846 /nfs/dbraw/zinc/50/88/46/843508846.db2.gz SPTHQJCRACCUSD-UZLBHIALSA-N 1 3 364.534 1.380 20 30 FDEDHO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667641810 844933323 /nfs/dbraw/zinc/93/33/23/844933323.db2.gz DULZXHGCVKIVDF-GOSISDBHSA-N 1 3 350.507 1.132 20 30 FDEDHO Cn1nc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C1CC1 ZINC000329542512 887232945 /nfs/dbraw/zinc/23/29/45/887232945.db2.gz XVBBPNTUIGYVQM-UHFFFAOYSA-N 1 3 360.506 2.182 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132911 905929213 /nfs/dbraw/zinc/92/92/13/905929213.db2.gz XGIQIPGSYZTVAW-MDZRGWNJSA-N 1 3 355.498 1.981 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132911 905929218 /nfs/dbraw/zinc/92/92/18/905929218.db2.gz XGIQIPGSYZTVAW-MDZRGWNJSA-N 1 3 355.498 1.981 20 30 FDEDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1C#N ZINC001082741805 909941212 /nfs/dbraw/zinc/94/12/12/909941212.db2.gz DFKHXHWUCCUTAX-FRQCXROJSA-N 1 3 370.497 1.845 20 30 FDEDHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082863296 910528324 /nfs/dbraw/zinc/52/83/24/910528324.db2.gz ZBULOMAQDYKTCC-RDTXWAMCSA-N 1 3 356.445 1.730 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCCCO4)C[C@H]32)CC1 ZINC001084851162 917658761 /nfs/dbraw/zinc/65/87/61/917658761.db2.gz PLKKFLGWWRHGEK-HSALFYBXSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCCCO4)C[C@H]32)CC1 ZINC001084851162 917658766 /nfs/dbraw/zinc/65/87/66/917658766.db2.gz PLKKFLGWWRHGEK-HSALFYBXSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CC[NH+]1CCC(c2nc(-c3ccc(N4CCN(C)CC4)nc3)no2)CC1 ZINC000770852958 930284060 /nfs/dbraw/zinc/28/40/60/930284060.db2.gz NTIYAERKGRUZDK-UHFFFAOYSA-N 1 3 366.469 1.696 20 30 FDEDHO C=CCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1n1ccnn1 ZINC001129943399 938580155 /nfs/dbraw/zinc/58/01/55/938580155.db2.gz ZGTBQCDUUOAAEX-SJORKVTESA-N 1 3 360.506 1.318 20 30 FDEDHO C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001130302317 938800919 /nfs/dbraw/zinc/80/09/19/938800919.db2.gz VAGFMNFPCJSHOD-AOIWGVFYSA-N 1 3 364.534 1.378 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001131007844 940434555 /nfs/dbraw/zinc/43/45/55/940434555.db2.gz NSLIXVDLQDWERQ-ZHALLVOQSA-N 1 3 359.518 1.611 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131071899 940484980 /nfs/dbraw/zinc/48/49/80/940484980.db2.gz BVSSORUKYXVBIO-IAGOWNOFSA-N 1 3 359.518 1.612 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131072110 940485065 /nfs/dbraw/zinc/48/50/65/940485065.db2.gz JXPNTQUXPLNQAA-IAGOWNOFSA-N 1 3 357.502 1.059 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131092014 940495951 /nfs/dbraw/zinc/49/59/51/940495951.db2.gz WUYWELMWLRTWPV-LMMKCTJWSA-N 1 3 359.518 1.304 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001131096279 940497234 /nfs/dbraw/zinc/49/72/34/940497234.db2.gz BHDBSHWAEKZJTJ-QZTJIDSGSA-N 1 3 357.502 1.059 20 30 FDEDHO C[NH2+]CCCc1[nH]nc(NC(=O)C2C[C@H](c3ccccc3)OC2=O)c1C#N ZINC000809579370 940859163 /nfs/dbraw/zinc/85/91/63/940859163.db2.gz BOXXWCZRBMVKOH-XJKSGUPXSA-N 1 3 367.409 1.676 20 30 FDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090874507 947528497 /nfs/dbraw/zinc/52/84/97/947528497.db2.gz KMHTWTLVGBMODH-ZCNNSNEGSA-N 1 3 355.482 1.553 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000773 953051851 /nfs/dbraw/zinc/05/18/51/953051851.db2.gz NEMYILWCDJNWBP-OTWHNJEPSA-N 1 3 359.518 1.753 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2C)CC1 ZINC001093224336 957853482 /nfs/dbraw/zinc/85/34/82/957853482.db2.gz QWQBNJJHTOLERH-CRAIPNDOSA-N 1 3 358.486 1.512 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2C)CC1 ZINC001093224336 957853489 /nfs/dbraw/zinc/85/34/89/957853489.db2.gz QWQBNJJHTOLERH-CRAIPNDOSA-N 1 3 358.486 1.512 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3cnccn3)[C@H](C)C2)CC1 ZINC001094240354 960159697 /nfs/dbraw/zinc/15/96/97/960159697.db2.gz UJQRQLPNPRCZRJ-ZIFCJYIRSA-N 1 3 369.513 1.567 20 30 FDEDHO CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCCC[NH3+])CC2)C[C@H]1C#N ZINC001172980210 961864277 /nfs/dbraw/zinc/86/42/77/961864277.db2.gz VIQIEKTWFGZOCL-IRXDYDNUSA-N 1 3 365.522 1.635 20 30 FDEDHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001188956784 966671813 /nfs/dbraw/zinc/67/18/13/966671813.db2.gz MUWPLVGBPAZIBG-AZUAARDMSA-N 1 3 370.497 1.963 20 30 FDEDHO C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CN1Cc1ccccc1 ZINC000884228759 983003249 /nfs/dbraw/zinc/00/32/49/983003249.db2.gz YLMDXVUYQDVRTQ-WJXBRQKSSA-N 1 3 352.482 1.905 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000876747037 992866440 /nfs/dbraw/zinc/86/64/40/992866440.db2.gz STJJYNYKDLDMEV-LBPRGKRZSA-N 1 3 352.822 1.565 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1 ZINC000267432905 999334571 /nfs/dbraw/zinc/33/45/71/999334571.db2.gz MYFRIRBMSOKJQG-SFHVURJKSA-N 1 3 357.502 1.698 20 30 FDEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111038991 1005127151 /nfs/dbraw/zinc/12/71/51/1005127151.db2.gz UKTYQMCDBKDLEN-MKXGPGLRSA-N 1 3 365.518 1.411 20 30 FDEDHO CN(C)C(=O)[C@H]1CCCN1CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303972086 1009783049 /nfs/dbraw/zinc/78/30/49/1009783049.db2.gz FMQJWWQNYFPFDK-GOSISDBHSA-N 1 3 359.518 1.637 20 30 FDEDHO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000530233628 539916702 /nfs/dbraw/zinc/91/67/02/539916702.db2.gz ZDHLXDGKAGQHBB-VAMGGRTRSA-N 1 3 373.497 1.655 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000550322619 543068239 /nfs/dbraw/zinc/06/82/39/543068239.db2.gz HGYZFMKBCUEMLL-UHFFFAOYSA-N 1 3 350.507 1.134 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000557731211 544337326 /nfs/dbraw/zinc/33/73/26/544337326.db2.gz COMUJHKPOHUMEO-KRWDZBQOSA-N 1 3 364.534 1.237 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000557731211 544337329 /nfs/dbraw/zinc/33/73/29/544337329.db2.gz COMUJHKPOHUMEO-KRWDZBQOSA-N 1 3 364.534 1.237 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000559328839 544645502 /nfs/dbraw/zinc/64/55/02/544645502.db2.gz IWEKTZQFNMAXQZ-UHFFFAOYSA-N 1 3 350.507 1.178 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000559793577 544800720 /nfs/dbraw/zinc/80/07/20/544800720.db2.gz GBZGCZTUEGXCJR-CALCHBBNSA-N 1 3 364.534 1.237 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000559793577 544800724 /nfs/dbraw/zinc/80/07/24/544800724.db2.gz GBZGCZTUEGXCJR-CALCHBBNSA-N 1 3 364.534 1.237 20 30 FDEDHO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375056 525283770 /nfs/dbraw/zinc/28/37/70/525283770.db2.gz GGCOYRHUEQTGRB-KRWDZBQOSA-N 1 3 363.550 1.675 20 30 FDEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000129868432 525698201 /nfs/dbraw/zinc/69/82/01/525698201.db2.gz RKBZRMYWTSCXNA-IBGZPJMESA-N 1 3 357.502 1.845 20 30 FDEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000129868432 525698207 /nfs/dbraw/zinc/69/82/07/525698207.db2.gz RKBZRMYWTSCXNA-IBGZPJMESA-N 1 3 357.502 1.845 20 30 FDEDHO C=CCNC(=O)c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000119936075 525911383 /nfs/dbraw/zinc/91/13/83/525911383.db2.gz PVZXFFJSOMMYBB-UHFFFAOYSA-N 1 3 361.490 1.560 20 30 FDEDHO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000247288336 537104149 /nfs/dbraw/zinc/10/41/49/537104149.db2.gz SYCFYAYXDQHRGG-YLJYHZDGSA-N 1 3 354.498 1.753 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000264106120 537137726 /nfs/dbraw/zinc/13/77/26/537137726.db2.gz PLRAGSCMAZWWOZ-HXUWFJFHSA-N 1 3 373.545 1.784 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000333358080 537347935 /nfs/dbraw/zinc/34/79/35/537347935.db2.gz KQCJCSNPHZHBNS-MSOLQXFVSA-N 1 3 350.507 1.565 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000566117055 547612704 /nfs/dbraw/zinc/61/27/04/547612704.db2.gz RUUCQFHKKLSWOK-LZLYRXPVSA-N 1 3 350.532 1.927 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000566117055 547612710 /nfs/dbraw/zinc/61/27/10/547612710.db2.gz RUUCQFHKKLSWOK-LZLYRXPVSA-N 1 3 350.532 1.927 20 30 FDEDHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598592397 552912644 /nfs/dbraw/zinc/91/26/44/552912644.db2.gz KKIDHLARGFCMQA-KRWDZBQOSA-N 1 3 366.550 1.703 20 30 FDEDHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600721540 553307218 /nfs/dbraw/zinc/30/72/18/553307218.db2.gz NHEVMQNUQUIKHA-SFHVURJKSA-N 1 3 361.486 1.788 20 30 FDEDHO N#CC1(C[C@H](O)CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000600729252 553308293 /nfs/dbraw/zinc/30/82/93/553308293.db2.gz UHJAJJYLMGBSPD-GBESFXJTSA-N 1 3 365.518 1.415 20 30 FDEDHO CC(CCN1CCN(CCC#N)CC1)CC[NH+]1CCN(CCC#N)CC1 ZINC000603016791 553694953 /nfs/dbraw/zinc/69/49/53/553694953.db2.gz KDYWMGWYHOPBBD-UHFFFAOYSA-N 1 3 360.550 1.465 20 30 FDEDHO C=C(CNC(=O)CN1[C@H](C)CC[C@@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000620748101 555978515 /nfs/dbraw/zinc/97/85/15/555978515.db2.gz LPXOHNCYYZCJRC-USTZCAOPSA-N 1 3 364.534 1.521 20 30 FDEDHO C=C(CNC(=O)CN1[C@H](C)CC[C@@H]1C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620748101 555978517 /nfs/dbraw/zinc/97/85/17/555978517.db2.gz LPXOHNCYYZCJRC-USTZCAOPSA-N 1 3 364.534 1.521 20 30 FDEDHO CN1CCC([NH+]2CCC(NC(=O)NCCN3CCSCC3)CC2)CC1 ZINC000329404736 676637420 /nfs/dbraw/zinc/63/74/20/676637420.db2.gz BNJVOQKGGPQKLP-UHFFFAOYSA-N 1 3 369.579 1.097 20 30 FDEDHO Cc1nnsc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000330192002 676677732 /nfs/dbraw/zinc/67/77/32/676677732.db2.gz NKTQKYOXMGBFGD-UHFFFAOYSA-N 1 3 352.508 1.409 20 30 FDEDHO C=C(C)CN1CCC(NC(NCC2(O)CCOCC2)=[NH+]CCC)CC1 ZINC000086509225 771860244 /nfs/dbraw/zinc/86/02/44/771860244.db2.gz RLZYLXAJEIFYJV-UHFFFAOYSA-N 1 3 352.523 1.514 20 30 FDEDHO CC(C)N1CC[NH+](C2CCN(C([O-])=[NH+][C@@H]3CCn4ccnc4C3)CC2)CC1 ZINC000330250645 806002387 /nfs/dbraw/zinc/00/23/87/806002387.db2.gz HHFSATOFHYFTSR-QGZVFWFLSA-N 1 3 374.533 1.602 20 30 FDEDHO COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753820 793291887 /nfs/dbraw/zinc/29/18/87/793291887.db2.gz UQTTYEOSBLEIGT-VAMGGRTRSA-N 1 3 363.546 1.973 20 30 FDEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524498 801472288 /nfs/dbraw/zinc/47/22/88/801472288.db2.gz RPTQUPMAAIOQKC-HQRMLTQVSA-N 1 3 364.534 1.093 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418596591 807071395 /nfs/dbraw/zinc/07/13/95/807071395.db2.gz CMOOMGQLWGWAKY-UHFFFAOYSA-N 1 3 355.486 1.941 20 30 FDEDHO C#CCCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087476908 818393906 /nfs/dbraw/zinc/39/39/06/818393906.db2.gz LRTDRCUDSSXVLR-JBACZVJFSA-N 1 3 369.509 1.944 20 30 FDEDHO C#CCCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087476908 818393916 /nfs/dbraw/zinc/39/39/16/818393916.db2.gz LRTDRCUDSSXVLR-JBACZVJFSA-N 1 3 369.509 1.944 20 30 FDEDHO COCc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ncn1 ZINC000328597378 819529498 /nfs/dbraw/zinc/52/94/98/819529498.db2.gz AERGOUODPALSRO-UHFFFAOYSA-N 1 3 362.478 1.508 20 30 FDEDHO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](N2CCCCC2)C1 ZINC000262465993 827060402 /nfs/dbraw/zinc/06/04/02/827060402.db2.gz NSAQTRHPCIWYGD-MRXNPFEDSA-N 1 3 359.522 1.640 20 30 FDEDHO C=CCN1CC[C@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000985443169 827861095 /nfs/dbraw/zinc/86/10/95/827861095.db2.gz VSDGHFSJDXCTGW-NXHRZFHOSA-N 1 3 362.518 1.036 20 30 FDEDHO C=CCN1CC[C@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000985443169 827861099 /nfs/dbraw/zinc/86/10/99/827861099.db2.gz VSDGHFSJDXCTGW-NXHRZFHOSA-N 1 3 362.518 1.036 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCOCC3)[C@@H]2C)CC1 ZINC001089059308 866384180 /nfs/dbraw/zinc/38/41/80/866384180.db2.gz HUIZXVVUSISCHC-XLIONFOSSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCOCC3)[C@@H]2C)CC1 ZINC001089059308 866384200 /nfs/dbraw/zinc/38/42/00/866384200.db2.gz HUIZXVVUSISCHC-XLIONFOSSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001089059753 866388030 /nfs/dbraw/zinc/38/80/30/866388030.db2.gz ZGDRLZFXYFWKHS-NEWSRXKRSA-N 1 3 361.530 1.726 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001089059753 866388035 /nfs/dbraw/zinc/38/80/35/866388035.db2.gz ZGDRLZFXYFWKHS-NEWSRXKRSA-N 1 3 361.530 1.726 20 30 FDEDHO C=C(CC[NH+](C)C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000900647936 869620323 /nfs/dbraw/zinc/62/03/23/869620323.db2.gz CKOPUIYYEMHRAX-UHFFFAOYSA-N 1 3 372.513 1.636 20 30 FDEDHO C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666859 876479019 /nfs/dbraw/zinc/47/90/19/876479019.db2.gz XKKRTNNCKACKSS-GZBFAFLISA-N 1 3 358.324 1.921 20 30 FDEDHO C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673769 876505223 /nfs/dbraw/zinc/50/52/23/876505223.db2.gz KKCXNRRVVFMTHF-KURKYZTESA-N 1 3 364.534 1.211 20 30 FDEDHO C#CCN(C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC[NH+](C)CC1 ZINC000922876529 879562689 /nfs/dbraw/zinc/56/26/89/879562689.db2.gz CMZOZMASTCLVAY-ICSRJNTNSA-N 1 3 369.513 1.813 20 30 FDEDHO C#CCN(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCN(C)CC1 ZINC000919412014 885698482 /nfs/dbraw/zinc/69/84/82/885698482.db2.gz GKBJBKDBRGVLBN-QGZVFWFLSA-N 1 3 362.518 1.226 20 30 FDEDHO CC#CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260775 902299104 /nfs/dbraw/zinc/29/91/04/902299104.db2.gz ORNQEUQFGFIESZ-GBESFXJTSA-N 1 3 359.514 1.433 20 30 FDEDHO C=CCCN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160026 906088298 /nfs/dbraw/zinc/08/82/98/906088298.db2.gz YWCYQFHOAOHACS-IYWMVGAKSA-N 1 3 357.498 1.723 20 30 FDEDHO C=CCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160026 906088318 /nfs/dbraw/zinc/08/83/18/906088318.db2.gz YWCYQFHOAOHACS-IYWMVGAKSA-N 1 3 357.498 1.723 20 30 FDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150958 907262528 /nfs/dbraw/zinc/26/25/28/907262528.db2.gz MSRFNORVHRTINZ-LBQNXCCASA-N 1 3 365.477 1.067 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559978 908616260 /nfs/dbraw/zinc/61/62/60/908616260.db2.gz VMYQYINHPMFFLT-DJKXOVBDSA-N 1 3 370.497 1.844 20 30 FDEDHO C=CCN1CCN(C(C)C)C(=O)[C@@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169131225 928287675 /nfs/dbraw/zinc/28/76/75/928287675.db2.gz RYSWYYKRUJAKQX-JTJHWIPRSA-N 1 3 360.546 1.795 20 30 FDEDHO C=CCN1CCN(C(C)C)C(=O)[C@@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169131225 928287688 /nfs/dbraw/zinc/28/76/88/928287688.db2.gz RYSWYYKRUJAKQX-JTJHWIPRSA-N 1 3 360.546 1.795 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012220 938614925 /nfs/dbraw/zinc/61/49/25/938614925.db2.gz VWAMUHZZESNVSL-SJORKVTESA-N 1 3 360.506 1.318 20 30 FDEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137414 938710494 /nfs/dbraw/zinc/71/04/94/938710494.db2.gz YFFVSHWRFSAEPF-MSOLQXFVSA-N 1 3 364.538 1.930 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590530 939897518 /nfs/dbraw/zinc/89/75/18/939897518.db2.gz VLPKHMXXCKEIRW-QXAKKESOSA-N 1 3 359.518 1.753 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607855 939919691 /nfs/dbraw/zinc/91/96/91/939919691.db2.gz NTACDQMEUJFWKQ-PKOBYXMFSA-N 1 3 359.518 1.755 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010510 940441504 /nfs/dbraw/zinc/44/15/04/940441504.db2.gz OLVIKAMDRSYFAT-QZTJIDSGSA-N 1 3 359.518 1.755 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131064234 940486454 /nfs/dbraw/zinc/48/64/54/940486454.db2.gz CNGWZUOPEDPWMN-ZHALLVOQSA-N 1 3 361.534 1.857 20 30 FDEDHO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001131572112 940748220 /nfs/dbraw/zinc/74/82/20/940748220.db2.gz DHWZZOFJHNRKEG-MJGOQNOKSA-N 1 3 362.474 1.141 20 30 FDEDHO C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001131609013 940789182 /nfs/dbraw/zinc/78/91/82/940789182.db2.gz UZVHOVORIHJYJL-AQNXPRMDSA-N 1 3 361.530 1.870 20 30 FDEDHO C#C[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCOCC1 ZINC000856100099 970909913 /nfs/dbraw/zinc/90/99/13/970909913.db2.gz KWKXVXJEFSOMTJ-HXUWFJFHSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC001086882181 952913937 /nfs/dbraw/zinc/91/39/37/952913937.db2.gz FBAHGUZAWDFRAF-NLWGTHIKSA-N 1 3 361.530 1.633 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001093223531 957853836 /nfs/dbraw/zinc/85/38/36/957853836.db2.gz AYCICANGPXKTRD-WSTZPKSXSA-N 1 3 361.530 1.442 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001093223531 957853845 /nfs/dbraw/zinc/85/38/45/957853845.db2.gz AYCICANGPXKTRD-WSTZPKSXSA-N 1 3 361.530 1.442 20 30 FDEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093458901 958286440 /nfs/dbraw/zinc/28/64/40/958286440.db2.gz HURDAHYNLKLMFL-NEYJZJCJSA-N 1 3 361.530 1.460 20 30 FDEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182692061 962442912 /nfs/dbraw/zinc/44/29/12/962442912.db2.gz AOVUEYWCSDGEIP-FGTMMUONSA-N 1 3 362.518 1.108 20 30 FDEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182692061 962442920 /nfs/dbraw/zinc/44/29/20/962442920.db2.gz AOVUEYWCSDGEIP-FGTMMUONSA-N 1 3 362.518 1.108 20 30 FDEDHO C=CCOCCN1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732565 967237632 /nfs/dbraw/zinc/23/76/32/967237632.db2.gz NBFPHJAKQDIJES-VQTJNVASSA-N 1 3 361.530 1.844 20 30 FDEDHO C#CCN(C)CCCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594516 977805946 /nfs/dbraw/zinc/80/59/46/977805946.db2.gz DNXDWYBGICMMRO-OALUTQOASA-N 1 3 359.518 1.305 20 30 FDEDHO C#CCN(C)CCCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594516 977805953 /nfs/dbraw/zinc/80/59/53/977805953.db2.gz DNXDWYBGICMMRO-OALUTQOASA-N 1 3 359.518 1.305 20 30 FDEDHO C#C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000852059156 979314203 /nfs/dbraw/zinc/31/42/03/979314203.db2.gz WLPVIUXFQKAECP-IBGZPJMESA-N 1 3 362.518 1.273 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000883343678 982086665 /nfs/dbraw/zinc/08/66/65/982086665.db2.gz VTEIMRZFBUDOEI-SFHVURJKSA-N 1 3 350.507 1.579 20 30 FDEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000878485551 993979738 /nfs/dbraw/zinc/97/97/38/993979738.db2.gz OHFUZBGNCWDVNF-LPTDTENNSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000878485551 993979742 /nfs/dbraw/zinc/97/97/42/993979742.db2.gz OHFUZBGNCWDVNF-LPTDTENNSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000878485551 993979746 /nfs/dbraw/zinc/97/97/46/993979746.db2.gz OHFUZBGNCWDVNF-LPTDTENNSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000878485551 993979750 /nfs/dbraw/zinc/97/97/50/993979750.db2.gz OHFUZBGNCWDVNF-LPTDTENNSA-N 1 3 357.498 1.964 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000285348684 999910557 /nfs/dbraw/zinc/91/05/57/999910557.db2.gz YJZOSHAMUGRIRJ-IBGZPJMESA-N 1 3 372.513 1.042 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000285348684 999910558 /nfs/dbraw/zinc/91/05/58/999910558.db2.gz YJZOSHAMUGRIRJ-IBGZPJMESA-N 1 3 372.513 1.042 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000932907402 1005238981 /nfs/dbraw/zinc/23/89/81/1005238981.db2.gz DHPOJLXLAYYOPT-CQSZACIVSA-N 1 3 361.412 1.689 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000642769874 1007890753 /nfs/dbraw/zinc/89/07/53/1007890753.db2.gz RGGJNRSBMWBWKV-KZNAEPCWSA-N 1 3 362.518 1.012 20 30 FDEDHO C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374258250 261100232 /nfs/dbraw/zinc/10/02/32/261100232.db2.gz JKDIINNZEPDPHS-KRWDZBQOSA-N 1 3 369.513 1.987 20 30 FDEDHO C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374258250 261100233 /nfs/dbraw/zinc/10/02/33/261100233.db2.gz JKDIINNZEPDPHS-KRWDZBQOSA-N 1 3 369.513 1.987 20 30 FDEDHO C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374258250 261100234 /nfs/dbraw/zinc/10/02/34/261100234.db2.gz JKDIINNZEPDPHS-KRWDZBQOSA-N 1 3 369.513 1.987 20 30 FDEDHO C=CCCn1cc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000657340108 782046767 /nfs/dbraw/zinc/04/67/67/782046767.db2.gz ZOKQKLLEJNEATB-UHFFFAOYSA-N 1 3 355.490 1.551 20 30 FDEDHO CN1CCC([NH+]2CCC(NCc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000123526049 524770205 /nfs/dbraw/zinc/77/02/05/524770205.db2.gz LZOWJYHTNWKQQF-UHFFFAOYSA-N 1 3 352.486 1.854 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000171566072 526039725 /nfs/dbraw/zinc/03/97/25/526039725.db2.gz GPQUBKPLHJOIKQ-UHFFFAOYSA-N 1 3 356.514 1.814 20 30 FDEDHO COC[C@@H](C)NC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267311139 536968290 /nfs/dbraw/zinc/96/82/90/536968290.db2.gz LXBSHXDDTZAOPT-QGZVFWFLSA-N 1 3 362.518 1.997 20 30 FDEDHO CCOC(=O)c1csc(CCNC(=[NH2+])NC[C@@H]2CCCN2CC)n1 ZINC000189068284 536992249 /nfs/dbraw/zinc/99/22/49/536992249.db2.gz HXORURPASZSDEZ-LBPRGKRZSA-N 1 3 353.492 1.251 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCn1cc(Br)cn1 ZINC000279881052 537357758 /nfs/dbraw/zinc/35/77/58/537357758.db2.gz AYWLBJAIBBRFIT-CQSZACIVSA-N 1 3 371.327 1.814 20 30 FDEDHO CN(CCC#N)C[C@@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000566108731 547606416 /nfs/dbraw/zinc/60/64/16/547606416.db2.gz CYMGLTKARFRENU-KRWDZBQOSA-N 1 3 350.532 1.756 20 30 FDEDHO N#Cc1ccc(S(=O)(=O)CCNCCCCC[NH+]2CCCC2)nc1 ZINC000583930135 551422435 /nfs/dbraw/zinc/42/24/35/551422435.db2.gz RVJZPVKSQIMPDY-UHFFFAOYSA-N 1 3 350.488 1.583 20 30 FDEDHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000591736984 551905063 /nfs/dbraw/zinc/90/50/63/551905063.db2.gz ZIFRZAMJKOBBAH-AZUAARDMSA-N 1 3 372.513 1.250 20 30 FDEDHO CC(C)(C#N)C[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000598720637 552928062 /nfs/dbraw/zinc/92/80/62/552928062.db2.gz QHRGPJPSWFYUOT-RTBURBONSA-N 1 3 372.513 1.774 20 30 FDEDHO CC(C)(C#N)C[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000598720637 552928063 /nfs/dbraw/zinc/92/80/63/552928063.db2.gz QHRGPJPSWFYUOT-RTBURBONSA-N 1 3 372.513 1.774 20 30 FDEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000598720637 552928064 /nfs/dbraw/zinc/92/80/64/552928064.db2.gz QHRGPJPSWFYUOT-RTBURBONSA-N 1 3 372.513 1.774 20 30 FDEDHO N#CC1(C[C@H](O)C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000600734742 553308924 /nfs/dbraw/zinc/30/89/24/553308924.db2.gz FWNVDKJFYPAMOW-IBGZPJMESA-N 1 3 370.497 1.528 20 30 FDEDHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288716858 676044556 /nfs/dbraw/zinc/04/45/56/676044556.db2.gz LNPIEWRTIUIPHL-HNNXBMFYSA-N 1 3 353.417 1.634 20 30 FDEDHO C[NH+]=C(NCC1(N(C)C)CCCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261783052 672671569 /nfs/dbraw/zinc/67/15/69/672671569.db2.gz QFXYTHZRSFADEB-KRWDZBQOSA-N 1 3 351.539 1.090 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CS(C)(=O)=O)cc1 ZINC000264076463 672900321 /nfs/dbraw/zinc/90/03/21/672900321.db2.gz FXPKLIRCIXZVHA-INIZCTEOSA-N 1 3 352.504 1.120 20 30 FDEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])NCCc1cccs1 ZINC000303974697 676543961 /nfs/dbraw/zinc/54/39/61/676543961.db2.gz IFXOZXWMBBMGGZ-OAHLLOKOSA-N 1 3 351.520 1.138 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472613 676868245 /nfs/dbraw/zinc/86/82/45/676868245.db2.gz LTKWTTUYLDRSCD-HKUYNNGSSA-N 1 3 350.551 1.900 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000419567090 680279061 /nfs/dbraw/zinc/27/90/61/680279061.db2.gz HOZLDEOKZSIUKJ-BRWVUGGUSA-N 1 3 350.507 1.058 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000532264493 694870274 /nfs/dbraw/zinc/87/02/74/694870274.db2.gz YZGUULQFGCLNED-QZTJIDSGSA-N 1 3 350.507 1.314 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891520847 778205767 /nfs/dbraw/zinc/20/57/67/778205767.db2.gz RCAIZOHEJSPTQQ-QGZVFWFLSA-N 1 3 350.507 1.485 20 30 FDEDHO C=C(Br)CNCC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008181 794893961 /nfs/dbraw/zinc/89/39/61/794893961.db2.gz TUGQSRKCSHQDPC-BPLDGKMQSA-N 1 3 358.324 1.921 20 30 FDEDHO C=C(Br)CNCC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008181 794893969 /nfs/dbraw/zinc/89/39/69/794893969.db2.gz TUGQSRKCSHQDPC-BPLDGKMQSA-N 1 3 358.324 1.921 20 30 FDEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000424139963 815316330 /nfs/dbraw/zinc/31/63/30/815316330.db2.gz ATKYGPYXGLKSAB-NVXWUHKLSA-N 1 3 357.458 1.344 20 30 FDEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000424139963 815316338 /nfs/dbraw/zinc/31/63/38/815316338.db2.gz ATKYGPYXGLKSAB-NVXWUHKLSA-N 1 3 357.458 1.344 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000419570863 812024636 /nfs/dbraw/zinc/02/46/36/812024636.db2.gz OFXIRIXDCAHALA-FGTMMUONSA-N 1 3 364.534 1.245 20 30 FDEDHO COCC[C@@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329791842 825459024 /nfs/dbraw/zinc/45/90/24/825459024.db2.gz DZUPBEOARXGPTB-GOSISDBHSA-N 1 3 368.522 1.196 20 30 FDEDHO CC#CCN1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001088234496 827598535 /nfs/dbraw/zinc/59/85/35/827598535.db2.gz UFFLDFDMVBMGOY-YZGWKJHDSA-N 1 3 361.530 1.679 20 30 FDEDHO CC#CCN1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001088234496 827598537 /nfs/dbraw/zinc/59/85/37/827598537.db2.gz UFFLDFDMVBMGOY-YZGWKJHDSA-N 1 3 361.530 1.679 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(N(C)C)CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637225 842271279 /nfs/dbraw/zinc/27/12/79/842271279.db2.gz LTZRGOQLKJNJSF-XSYGEPLQSA-N 1 3 361.530 1.460 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637623 842272974 /nfs/dbraw/zinc/27/29/74/842272974.db2.gz STTLYDMMCJTHRY-RMVXJAJNSA-N 1 3 361.530 1.460 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001089059754 866388124 /nfs/dbraw/zinc/38/81/24/866388124.db2.gz ZGDRLZFXYFWKHS-QRQLOZEOSA-N 1 3 361.530 1.726 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001089059754 866388130 /nfs/dbraw/zinc/38/81/30/866388130.db2.gz ZGDRLZFXYFWKHS-QRQLOZEOSA-N 1 3 361.530 1.726 20 30 FDEDHO C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250024 874131483 /nfs/dbraw/zinc/13/14/83/874131483.db2.gz WAUNZHWEUCPYLW-KCPJHIHWSA-N 1 3 358.324 1.919 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240990 902191414 /nfs/dbraw/zinc/19/14/14/902191414.db2.gz IWWPTBCVTZIDRF-GBESFXJTSA-N 1 3 359.514 1.432 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240990 902191419 /nfs/dbraw/zinc/19/14/19/902191419.db2.gz IWWPTBCVTZIDRF-GBESFXJTSA-N 1 3 359.514 1.432 20 30 FDEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245970 902255509 /nfs/dbraw/zinc/25/55/09/902255509.db2.gz MGUOUAORLWYQKD-RBUKOAKNSA-N 1 3 361.530 1.986 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001080998081 906973645 /nfs/dbraw/zinc/97/36/45/906973645.db2.gz RMJZTXAZFFZEBG-QWFCFKBJSA-N 1 3 361.530 1.585 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001080998081 906973649 /nfs/dbraw/zinc/97/36/49/906973649.db2.gz RMJZTXAZFFZEBG-QWFCFKBJSA-N 1 3 361.530 1.585 20 30 FDEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993105 919366326 /nfs/dbraw/zinc/36/63/26/919366326.db2.gz MEMZUEVTYGGYHZ-DXWXDBEXSA-N 1 3 359.514 1.739 20 30 FDEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993105 919366347 /nfs/dbraw/zinc/36/63/47/919366347.db2.gz MEMZUEVTYGGYHZ-DXWXDBEXSA-N 1 3 359.514 1.739 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001085432866 924681336 /nfs/dbraw/zinc/68/13/36/924681336.db2.gz UFEOEXOVKLBBGS-MISYRCLQSA-N 1 3 361.530 1.775 20 30 FDEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433728 938423612 /nfs/dbraw/zinc/42/36/12/938423612.db2.gz OOYYAJYXIJWTRN-KSZLIROESA-N 1 3 360.506 1.318 20 30 FDEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433728 938423613 /nfs/dbraw/zinc/42/36/13/938423613.db2.gz OOYYAJYXIJWTRN-KSZLIROESA-N 1 3 360.506 1.318 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001130137195 938710017 /nfs/dbraw/zinc/71/00/17/938710017.db2.gz NGJLJMXRKYKVPA-KURKYZTESA-N 1 3 360.506 1.460 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131092015 940495981 /nfs/dbraw/zinc/49/59/81/940495981.db2.gz WUYWELMWLRTWPV-ZHALLVOQSA-N 1 3 359.518 1.304 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001144417732 949063497 /nfs/dbraw/zinc/06/34/97/949063497.db2.gz HSEZTBLLCLFNHV-NRFANRHFSA-N 1 3 357.498 1.780 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001144417732 949063519 /nfs/dbraw/zinc/06/35/19/949063519.db2.gz HSEZTBLLCLFNHV-NRFANRHFSA-N 1 3 357.498 1.780 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001086979428 952993114 /nfs/dbraw/zinc/99/31/14/952993114.db2.gz ZMIPWHUBXUYPMT-ZWKOTPCHSA-N 1 3 359.518 1.755 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087011009 953102727 /nfs/dbraw/zinc/10/27/27/953102727.db2.gz AIPUKXRACKONFP-OTWHNJEPSA-N 1 3 357.502 1.058 20 30 FDEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034763 953995564 /nfs/dbraw/zinc/99/55/64/953995564.db2.gz LHBGPVZFBJEUHF-JBPLPALLSA-N 1 3 351.494 1.745 20 30 FDEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034763 953995571 /nfs/dbraw/zinc/99/55/71/953995571.db2.gz LHBGPVZFBJEUHF-JBPLPALLSA-N 1 3 351.494 1.745 20 30 FDEDHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094075038 959704803 /nfs/dbraw/zinc/70/48/03/959704803.db2.gz WPQDOUAAJQIRDX-CZUORRHYSA-N 1 3 355.417 1.847 20 30 FDEDHO C=C(CN1CCCC1)C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001183085779 962783534 /nfs/dbraw/zinc/78/35/34/962783534.db2.gz IQEWRTFGLQJUBB-UHFFFAOYSA-N 1 3 357.458 1.402 20 30 FDEDHO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000366726863 988757840 /nfs/dbraw/zinc/75/78/40/988757840.db2.gz ZGGLJSKEDMZFTP-VQIMIIECSA-N 1 3 364.534 1.825 20 30 FDEDHO C#CCN1CCC(C(=O)Nc2ccnc(OC3CC[NH+](C)CC3)c2)CC1 ZINC000371695875 990632357 /nfs/dbraw/zinc/63/23/57/990632357.db2.gz ZCDXTTZFIAPFGI-UHFFFAOYSA-N 1 3 356.470 1.838 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCN1c2ccccc2OCC1=O ZINC000267451762 999339693 /nfs/dbraw/zinc/33/96/93/999339693.db2.gz RSBGKFZGBYNBDU-HNNXBMFYSA-N 1 3 359.474 1.191 20 30 FDEDHO C#CC1(O)CCN(Cc2ccccc2C[NH+]2CCC(O)(C#C)CC2)CC1 ZINC000931151162 1003926208 /nfs/dbraw/zinc/92/62/08/1003926208.db2.gz OLVXNFYNRDGREL-UHFFFAOYSA-N 1 3 352.478 1.607 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000550032211 542993402 /nfs/dbraw/zinc/99/34/02/542993402.db2.gz HRGQKSZGKBKAQY-IBGZPJMESA-N 1 3 372.513 1.042 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000550834488 543183433 /nfs/dbraw/zinc/18/34/33/543183433.db2.gz KSUZOXKKRSTCLC-ROUUACIJSA-N 1 3 364.534 1.354 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000551217805 543253547 /nfs/dbraw/zinc/25/35/47/543253547.db2.gz WTHKBVNJIANZNF-OKZBNKHCSA-N 1 3 364.534 1.400 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000551217805 543253549 /nfs/dbraw/zinc/25/35/49/543253549.db2.gz WTHKBVNJIANZNF-OKZBNKHCSA-N 1 3 364.534 1.400 20 30 FDEDHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1 ZINC000120413877 526055473 /nfs/dbraw/zinc/05/54/73/526055473.db2.gz RYJWHWMUWZOLBJ-FQEVSTJZSA-N 1 3 350.466 1.937 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OCC(F)(F)F ZINC000264098892 537137447 /nfs/dbraw/zinc/13/74/47/537137447.db2.gz NJXUCHHWODHGCQ-CYBMUJFWSA-N 1 3 359.396 1.911 20 30 FDEDHO C=CCN(C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000420202608 538255060 /nfs/dbraw/zinc/25/50/60/538255060.db2.gz JNEMGRDJJMNDPG-UHFFFAOYSA-N 1 3 370.497 1.273 20 30 FDEDHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000577277743 550639601 /nfs/dbraw/zinc/63/96/01/550639601.db2.gz XXEFQKATJFOURA-LJQANCHMSA-N 1 3 357.502 1.461 20 30 FDEDHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1C#N ZINC000599336100 553030331 /nfs/dbraw/zinc/03/03/31/553030331.db2.gz GFEWVOTZVQGHNJ-LJQANCHMSA-N 1 3 360.502 1.256 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)cc1 ZINC000271943747 674398807 /nfs/dbraw/zinc/39/88/07/674398807.db2.gz MNWQEQLIKWAZDN-HNNXBMFYSA-N 1 3 352.504 1.369 20 30 FDEDHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000469793326 684986383 /nfs/dbraw/zinc/98/63/83/684986383.db2.gz CXOWDEPZVBZNLX-ZACQAIPSSA-N 1 3 350.507 1.664 20 30 FDEDHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nn1CCC#N ZINC000275544553 771892343 /nfs/dbraw/zinc/89/23/43/771892343.db2.gz ATYLMYALLXJMBX-UHFFFAOYSA-N 1 3 373.505 1.785 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)C(C)C ZINC000642769835 773255899 /nfs/dbraw/zinc/25/58/99/773255899.db2.gz DLBKYEABEYXGLM-INIZCTEOSA-N 1 3 350.507 1.141 20 30 FDEDHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC000971561638 777630557 /nfs/dbraw/zinc/63/05/57/777630557.db2.gz YZLZCYDXGLBEBZ-YVWKXTFCSA-N 1 3 370.497 1.962 20 30 FDEDHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC000971561638 777630567 /nfs/dbraw/zinc/63/05/67/777630567.db2.gz YZLZCYDXGLBEBZ-YVWKXTFCSA-N 1 3 370.497 1.962 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675434 805203207 /nfs/dbraw/zinc/20/32/07/805203207.db2.gz RAMLPISEQMEAAW-SESVDKBCSA-N 1 3 369.509 1.562 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675434 805203211 /nfs/dbraw/zinc/20/32/11/805203211.db2.gz RAMLPISEQMEAAW-SESVDKBCSA-N 1 3 369.509 1.562 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001211696272 807187891 /nfs/dbraw/zinc/18/78/91/807187891.db2.gz DBVKEPOQKOXPAX-LEWJYISDSA-N 1 3 369.509 1.705 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000419570867 812024424 /nfs/dbraw/zinc/02/44/24/812024424.db2.gz OFXIRIXDCAHALA-OKZBNKHCSA-N 1 3 364.534 1.245 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000442265904 821104471 /nfs/dbraw/zinc/10/44/71/821104471.db2.gz LJYURCSXENSGEW-UHFFFAOYSA-N 1 3 374.485 1.332 20 30 FDEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992472 824954342 /nfs/dbraw/zinc/95/43/42/824954342.db2.gz XHGLPQPRUPWDDL-WSTZPKSXSA-N 1 3 359.514 1.433 20 30 FDEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992472 824954345 /nfs/dbraw/zinc/95/43/45/824954345.db2.gz XHGLPQPRUPWDDL-WSTZPKSXSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642100 842303135 /nfs/dbraw/zinc/30/31/35/842303135.db2.gz HQNHDZKINYJOFP-IKVWTGGYSA-N 1 3 363.546 1.706 20 30 FDEDHO C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105654992 842481400 /nfs/dbraw/zinc/48/14/00/842481400.db2.gz COARBBRUWZZIEW-HNBVOPMISA-N 1 3 360.502 1.885 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672786 845214325 /nfs/dbraw/zinc/21/43/25/845214325.db2.gz DGPYXOGLRRXPTP-JYBIWHBTSA-N 1 3 351.535 1.869 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C(C)C ZINC000911204154 858308860 /nfs/dbraw/zinc/30/88/60/858308860.db2.gz VJTAXLLUGAFPOF-XLIONFOSSA-N 1 3 362.518 1.156 20 30 FDEDHO C#CCN(C(=O)NC1CC[NH+](CCCOC)CC1)C1CCN(C)CC1 ZINC000916324672 881540901 /nfs/dbraw/zinc/54/09/01/881540901.db2.gz RVLQCLAQBQGSLQ-UHFFFAOYSA-N 1 3 350.507 1.226 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706563 897758628 /nfs/dbraw/zinc/75/86/28/897758628.db2.gz NDLVDINLXFYMJZ-YESZJQIVSA-N 1 3 352.523 1.236 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706563 897758633 /nfs/dbraw/zinc/75/86/33/897758633.db2.gz NDLVDINLXFYMJZ-YESZJQIVSA-N 1 3 352.523 1.236 20 30 FDEDHO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000764463602 904735453 /nfs/dbraw/zinc/73/54/53/904735453.db2.gz WAUCGSOINQFAMQ-LJQANCHMSA-N 1 3 371.529 1.560 20 30 FDEDHO CCN(CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107424284 904831273 /nfs/dbraw/zinc/83/12/73/904831273.db2.gz GKAWWOFOZDRQLA-NLWGTHIKSA-N 1 3 367.509 1.677 20 30 FDEDHO CCN(CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107424284 904831293 /nfs/dbraw/zinc/83/12/93/904831293.db2.gz GKAWWOFOZDRQLA-NLWGTHIKSA-N 1 3 367.509 1.677 20 30 FDEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000997590289 909271720 /nfs/dbraw/zinc/27/17/20/909271720.db2.gz XBRMQGZANUFKGD-DBVUQKKJSA-N 1 3 361.530 1.583 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129844172 938525109 /nfs/dbraw/zinc/52/51/09/938525109.db2.gz DWRLTTMFLUZTMM-SJORKVTESA-N 1 3 360.506 1.460 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)C[C@@H]1n1ccnn1 ZINC001129883992 938538546 /nfs/dbraw/zinc/53/85/46/938538546.db2.gz DGSLTBWMCBOUJD-SQNIBIBYSA-N 1 3 360.506 1.460 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1n1ccnn1 ZINC001130140026 938712072 /nfs/dbraw/zinc/71/20/72/938712072.db2.gz NHVNDONELZTTCB-MOPGFXCFSA-N 1 3 366.469 1.018 20 30 FDEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001130293268 938796797 /nfs/dbraw/zinc/79/67/97/938796797.db2.gz QDQWNDMNLPCQAR-XLIONFOSSA-N 1 3 362.518 1.132 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131022833 940456481 /nfs/dbraw/zinc/45/64/81/940456481.db2.gz ILAVVNXOFULGSU-GUDVDZBRSA-N 1 3 371.529 1.448 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131022833 940456483 /nfs/dbraw/zinc/45/64/83/940456483.db2.gz ILAVVNXOFULGSU-GUDVDZBRSA-N 1 3 371.529 1.448 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131071892 940484945 /nfs/dbraw/zinc/48/49/45/940484945.db2.gz BNBDSDWKAAXUGZ-IAGOWNOFSA-N 1 3 359.518 1.305 20 30 FDEDHO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131464220 940621815 /nfs/dbraw/zinc/62/18/15/940621815.db2.gz IICFXHHNNZSELM-QYZOEREBSA-N 1 3 365.518 1.269 20 30 FDEDHO C#CCNC(=O)CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000819333028 943530132 /nfs/dbraw/zinc/53/01/32/943530132.db2.gz FKBFBLZCLCXNDA-HXUWFJFHSA-N 1 3 369.509 1.644 20 30 FDEDHO C#CCNC(=O)CCNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333028 943530141 /nfs/dbraw/zinc/53/01/41/943530141.db2.gz FKBFBLZCLCXNDA-HXUWFJFHSA-N 1 3 369.509 1.644 20 30 FDEDHO C#CCNC(=O)CCNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333028 943530146 /nfs/dbraw/zinc/53/01/46/943530146.db2.gz FKBFBLZCLCXNDA-HXUWFJFHSA-N 1 3 369.509 1.644 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3cnccn3)C2)CC1 ZINC001086882452 952914496 /nfs/dbraw/zinc/91/44/96/952914496.db2.gz QYHFKMYZHNEUEO-JENIJYKNSA-N 1 3 369.513 1.757 20 30 FDEDHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273855 954658893 /nfs/dbraw/zinc/65/88/93/954658893.db2.gz UHYOYFOTLNKRHM-ZVDOUQERSA-N 1 3 352.482 1.790 20 30 FDEDHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273855 954658901 /nfs/dbraw/zinc/65/89/01/954658901.db2.gz UHYOYFOTLNKRHM-ZVDOUQERSA-N 1 3 352.482 1.790 20 30 FDEDHO C=C(C[NH+]1CCCC1)C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001183043698 962756299 /nfs/dbraw/zinc/75/62/99/962756299.db2.gz VYKQIZMOSYOFRZ-WOJBJXKFSA-N 1 3 370.497 1.535 20 30 FDEDHO C=CCOCCN1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182191 966808342 /nfs/dbraw/zinc/80/83/42/966808342.db2.gz RBQDGVHTJRISHM-GBESFXJTSA-N 1 3 365.518 1.223 20 30 FDEDHO O=C(C#CC1CC[NH2+]CC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000852872931 967680028 /nfs/dbraw/zinc/68/00/28/967680028.db2.gz NFIICYXZFMPIRG-UHFFFAOYSA-N 1 3 368.525 1.314 20 30 FDEDHO CN1CCN(Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852873333 967680207 /nfs/dbraw/zinc/68/02/07/967680207.db2.gz SAQJCVIUHLERQM-UHFFFAOYSA-N 1 3 354.498 1.053 20 30 FDEDHO CCN1CCN(c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)CC1 ZINC000884233448 983007339 /nfs/dbraw/zinc/00/73/39/983007339.db2.gz QMZTWEKLKXTRRM-BQIYRTECSA-N 1 3 367.497 1.906 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C(C)C ZINC000884614466 983277883 /nfs/dbraw/zinc/27/78/83/983277883.db2.gz NURXNYGPBBLQAK-FGTMMUONSA-N 1 3 362.518 1.154 20 30 FDEDHO C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000363667895 989383021 /nfs/dbraw/zinc/38/30/21/989383021.db2.gz AASIOEPKLSELPQ-XLIONFOSSA-N 1 3 372.513 1.398 20 30 FDEDHO C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000363667895 989383031 /nfs/dbraw/zinc/38/30/31/989383031.db2.gz AASIOEPKLSELPQ-XLIONFOSSA-N 1 3 372.513 1.398 20 30 FDEDHO C[C@H](C(=O)Nc1ccccc1C#N)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369290 991050064 /nfs/dbraw/zinc/05/00/64/991050064.db2.gz XZDLYDABSKDNED-APWZRJJASA-N 1 3 369.513 1.986 20 30 FDEDHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876736316 992853111 /nfs/dbraw/zinc/85/31/11/992853111.db2.gz LSAHXEWQHSLTPS-FQEVSTJZSA-N 1 3 369.513 1.135 20 30 FDEDHO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876736316 992853117 /nfs/dbraw/zinc/85/31/17/992853117.db2.gz LSAHXEWQHSLTPS-FQEVSTJZSA-N 1 3 369.513 1.135 20 30 FDEDHO CCN1CC[NH+](CCCCNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876782513 992909891 /nfs/dbraw/zinc/90/98/91/992909891.db2.gz WNWJVAXXNPSYEH-FQEVSTJZSA-N 1 3 369.513 1.279 20 30 FDEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000876896670 992957170 /nfs/dbraw/zinc/95/71/70/992957170.db2.gz KLSNHCFZRGFDGD-IRXDYDNUSA-N 1 3 351.878 1.864 20 30 FDEDHO C#Cc1ccc(NC(=O)CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000930137268 1002862901 /nfs/dbraw/zinc/86/29/01/1002862901.db2.gz QVURRWFAKWXBOS-RXVVDRJESA-N 1 3 368.525 1.954 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652146929 1016768680 /nfs/dbraw/zinc/76/86/80/1016768680.db2.gz BYHRNEQSBCPPEN-JZXOWHBKSA-N 1 3 350.507 1.565 20 30 FDEDHO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000083034768 524234709 /nfs/dbraw/zinc/23/47/09/524234709.db2.gz LHHUESMWAQPFAK-UKRRQHHQSA-N 1 3 372.391 1.853 20 30 FDEDHO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174729225 524711376 /nfs/dbraw/zinc/71/13/76/524711376.db2.gz MMTPYOUIMPHINU-IBGZPJMESA-N 1 3 371.529 1.891 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000333356728 537348022 /nfs/dbraw/zinc/34/80/22/537348022.db2.gz KLHKLLDLXKUISD-OALUTQOASA-N 1 3 364.534 1.955 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433325686 538223858 /nfs/dbraw/zinc/22/38/58/538223858.db2.gz KGHMHEQUUDMVEU-KRWDZBQOSA-N 1 3 352.523 1.827 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433325686 538223862 /nfs/dbraw/zinc/22/38/62/538223862.db2.gz KGHMHEQUUDMVEU-KRWDZBQOSA-N 1 3 352.523 1.827 20 30 FDEDHO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)CC1 ZINC000565715283 547453205 /nfs/dbraw/zinc/45/32/05/547453205.db2.gz UFGVCWHOCWPQAT-KRWDZBQOSA-N 1 3 372.473 1.862 20 30 FDEDHO CN(CCC#N)C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000567378285 548098091 /nfs/dbraw/zinc/09/80/91/548098091.db2.gz WCELQJAKFFWHNS-VTHDOGFWSA-N 1 3 356.514 1.978 20 30 FDEDHO CN(CCC#N)C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000567378285 548098093 /nfs/dbraw/zinc/09/80/93/548098093.db2.gz WCELQJAKFFWHNS-VTHDOGFWSA-N 1 3 356.514 1.978 20 30 FDEDHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)CC2)C[C@@H](C)O1 ZINC000568090193 548394058 /nfs/dbraw/zinc/39/40/58/548394058.db2.gz WYLRBRMFOYENGN-JFIYKMOQSA-N 1 3 372.517 1.618 20 30 FDEDHO N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000591741261 551905504 /nfs/dbraw/zinc/90/55/04/551905504.db2.gz DIKHERHHEBKWGS-UYAOXDASSA-N 1 3 373.497 1.583 20 30 FDEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(C#N)CCOCC1 ZINC000597053661 552740290 /nfs/dbraw/zinc/74/02/90/552740290.db2.gz RTSUWPBRGZAQII-KRWDZBQOSA-N 1 3 350.507 1.571 20 30 FDEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(C#N)CCOCC1 ZINC000597053661 552740291 /nfs/dbraw/zinc/74/02/91/552740291.db2.gz RTSUWPBRGZAQII-KRWDZBQOSA-N 1 3 350.507 1.571 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCO2 ZINC000262003735 672710213 /nfs/dbraw/zinc/71/02/13/672710213.db2.gz QNYGUTOWTVDQEX-CYBMUJFWSA-N 1 3 352.866 2.000 20 30 FDEDHO CC[NH+]=C(NC[C@H](C)N1CCCC[C@H]1C)NC1CCN(C(C)=O)CC1 ZINC000262191174 672743729 /nfs/dbraw/zinc/74/37/29/672743729.db2.gz GADBHMXGTMDBHO-CVEARBPZSA-N 1 3 351.539 1.815 20 30 FDEDHO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262756623 672842927 /nfs/dbraw/zinc/84/29/27/672842927.db2.gz DMWCXUVQEFMXDF-IEBWSBKVSA-N 1 3 367.607 1.949 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1Cl ZINC000264131908 672902127 /nfs/dbraw/zinc/90/21/27/672902127.db2.gz UDRBMPYITBNBCU-CYBMUJFWSA-N 1 3 351.882 1.458 20 30 FDEDHO CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)N1CCOCC1 ZINC000303790336 676543029 /nfs/dbraw/zinc/54/30/29/676543029.db2.gz WBWJMVGDCKAXNH-QZTJIDSGSA-N 1 3 353.555 1.512 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(N2CCCC2)n1 ZINC000304756543 676544365 /nfs/dbraw/zinc/54/43/65/676544365.db2.gz NTGJTTCJVIGRNR-OAHLLOKOSA-N 1 3 350.536 1.674 20 30 FDEDHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1 ZINC000328848452 676609583 /nfs/dbraw/zinc/60/95/83/676609583.db2.gz WAOOQZRFBUIALD-KSZLIROESA-N 1 3 353.507 1.678 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000636675815 695195122 /nfs/dbraw/zinc/19/51/22/695195122.db2.gz BFYJEENTJWPYKJ-UHFFFAOYSA-N 1 3 350.507 1.086 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104363952 777490753 /nfs/dbraw/zinc/49/07/53/777490753.db2.gz PWZVKIAAKQJBTF-BRWVUGGUSA-N 1 3 366.550 1.482 20 30 FDEDHO C=CCN1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525510078 828635177 /nfs/dbraw/zinc/63/51/77/828635177.db2.gz XEAHCPSIJNXJTE-NRFANRHFSA-N 1 3 372.513 1.573 20 30 FDEDHO C=CCN1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525510078 828635181 /nfs/dbraw/zinc/63/51/81/828635181.db2.gz XEAHCPSIJNXJTE-NRFANRHFSA-N 1 3 372.513 1.573 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(CO)cc3)[C@@H]2C)CC1 ZINC001089059274 866383431 /nfs/dbraw/zinc/38/34/31/866383431.db2.gz GYAMIJSGXYPTSE-UTKZUKDTSA-N 1 3 369.509 1.603 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)[C@@H]2C)CC1 ZINC001089059274 866383434 /nfs/dbraw/zinc/38/34/34/866383434.db2.gz GYAMIJSGXYPTSE-UTKZUKDTSA-N 1 3 369.509 1.603 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H]3CCCCO3)[C@@H]2C)CC1 ZINC001089059225 866383599 /nfs/dbraw/zinc/38/35/99/866383599.db2.gz FDBCMCZYMGABSH-RLLQIKCJSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCCCO3)[C@@H]2C)CC1 ZINC001089059225 866383605 /nfs/dbraw/zinc/38/36/05/866383605.db2.gz FDBCMCZYMGABSH-RLLQIKCJSA-N 1 3 361.530 1.870 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106672258 876513514 /nfs/dbraw/zinc/51/35/14/876513514.db2.gz MYHMKRBWWMAKQC-IXDOHACOSA-N 1 3 364.534 1.093 20 30 FDEDHO CC#CCN[C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001127832854 906473590 /nfs/dbraw/zinc/47/35/90/906473590.db2.gz QUIQRFPMEMNEOJ-BHIYHBOVSA-N 1 3 369.513 1.230 20 30 FDEDHO CC#CCN[C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001127832854 906473601 /nfs/dbraw/zinc/47/36/01/906473601.db2.gz QUIQRFPMEMNEOJ-BHIYHBOVSA-N 1 3 369.513 1.230 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001080997755 906972154 /nfs/dbraw/zinc/97/21/54/906972154.db2.gz KEZRSZJIOYKCKW-OXQOHEQNSA-N 1 3 371.529 1.282 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001080997755 906972159 /nfs/dbraw/zinc/97/21/59/906972159.db2.gz KEZRSZJIOYKCKW-OXQOHEQNSA-N 1 3 371.529 1.282 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001081204983 907393152 /nfs/dbraw/zinc/39/31/52/907393152.db2.gz JNHWBDOOBHUCJO-VQTJNVASSA-N 1 3 355.482 1.315 20 30 FDEDHO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H](OC)C1 ZINC001212406552 911424310 /nfs/dbraw/zinc/42/43/10/911424310.db2.gz XVCFQIDSVOLING-GUDVDZBRSA-N 1 3 365.518 1.411 20 30 FDEDHO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H](OC)C1 ZINC001212406552 911424319 /nfs/dbraw/zinc/42/43/19/911424319.db2.gz XVCFQIDSVOLING-GUDVDZBRSA-N 1 3 365.518 1.411 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406552 911424331 /nfs/dbraw/zinc/42/43/31/911424331.db2.gz XVCFQIDSVOLING-GUDVDZBRSA-N 1 3 365.518 1.411 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406552 911424341 /nfs/dbraw/zinc/42/43/41/911424341.db2.gz XVCFQIDSVOLING-GUDVDZBRSA-N 1 3 365.518 1.411 20 30 FDEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001130292786 938796387 /nfs/dbraw/zinc/79/63/87/938796387.db2.gz BKVMGZCQLGTNMQ-NEWSRXKRSA-N 1 3 364.534 1.234 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131084469 940489340 /nfs/dbraw/zinc/48/93/40/940489340.db2.gz UMTFEAHAWRMXRY-QZTJIDSGSA-N 1 3 357.502 1.059 20 30 FDEDHO CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001131564760 940740870 /nfs/dbraw/zinc/74/08/70/940740870.db2.gz UVPLSUAEXLTPPH-QUCCMNQESA-N 1 3 363.546 1.973 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845448450 949231404 /nfs/dbraw/zinc/23/14/04/949231404.db2.gz KDXUCTRTHSDZKM-MRXNPFEDSA-N 1 3 368.522 1.598 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2C)CC1 ZINC001093224337 957854198 /nfs/dbraw/zinc/85/41/98/957854198.db2.gz QXAQBNKIGDHTLZ-IEBWSBKVSA-N 1 3 361.530 1.585 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2C)CC1 ZINC001093224337 957854209 /nfs/dbraw/zinc/85/42/09/957854209.db2.gz QXAQBNKIGDHTLZ-IEBWSBKVSA-N 1 3 361.530 1.585 20 30 FDEDHO C#CC[NH+]1CCC(c2nc(-c3ccc(N4CCN(C)CC4)cn3)no2)CC1 ZINC000854087320 968583474 /nfs/dbraw/zinc/58/34/74/968583474.db2.gz GEDWCWRTZBDMCK-UHFFFAOYSA-N 1 3 366.469 1.696 20 30 FDEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000296201414 989034761 /nfs/dbraw/zinc/03/47/61/989034761.db2.gz CNEYGWDKQFQSNS-FQEVSTJZSA-N 1 3 356.514 1.805 20 30 FDEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000296201414 989034773 /nfs/dbraw/zinc/03/47/73/989034773.db2.gz CNEYGWDKQFQSNS-FQEVSTJZSA-N 1 3 356.514 1.805 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000297160549 989486635 /nfs/dbraw/zinc/48/66/35/989486635.db2.gz DPUWFCICEMZJOZ-FQEVSTJZSA-N 1 3 372.513 1.398 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000297160549 989486639 /nfs/dbraw/zinc/48/66/39/989486639.db2.gz DPUWFCICEMZJOZ-FQEVSTJZSA-N 1 3 372.513 1.398 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876751999 992872459 /nfs/dbraw/zinc/87/24/59/992872459.db2.gz DEFVJFZRTAHDNM-QGZVFWFLSA-N 1 3 351.878 1.729 20 30 FDEDHO [NH2+]=C(NCCCN1CCOCC1)NCCCN1CCc2ccccc2C1 ZINC000264063380 997393139 /nfs/dbraw/zinc/39/31/39/997393139.db2.gz ACCASSRQLHZDDD-UHFFFAOYSA-N 1 3 359.518 1.061 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000104170647 998313947 /nfs/dbraw/zinc/31/39/47/998313947.db2.gz KQFJZUDJTPJNIJ-QUCCMNQESA-N 1 3 372.561 1.586 20 30 FDEDHO C#CCN(C(=O)C(=O)NC[C@H]1CCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000931062596 1003835284 /nfs/dbraw/zinc/83/52/84/1003835284.db2.gz RNGAZGMPXYMJQN-LJQANCHMSA-N 1 3 374.529 1.066 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)C(C)C ZINC000642769869 1007890810 /nfs/dbraw/zinc/89/08/10/1007890810.db2.gz OVNSVUNWYLRPTC-FGTMMUONSA-N 1 3 364.534 1.387 20 30 FDEDHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303972088 1009783435 /nfs/dbraw/zinc/78/34/35/1009783435.db2.gz FMQJWWQNYFPFDK-SFHVURJKSA-N 1 3 359.518 1.637 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)CC1 ZINC000101518303 525223141 /nfs/dbraw/zinc/22/31/41/525223141.db2.gz AJIVXVWIEMUQPG-UHFFFAOYSA-N 1 3 373.497 1.597 20 30 FDEDHO O=C(NCCNC1CC[NH+](CCc2ccccc2)CC1)C1N=CC=CC1=O ZINC000180880031 525771218 /nfs/dbraw/zinc/77/12/18/525771218.db2.gz JTJMHVBMFGKVNI-MRCUWXFGSA-N 1 3 368.481 1.810 20 30 FDEDHO CN(C)CCOc1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)ccn1 ZINC000134550675 526164778 /nfs/dbraw/zinc/16/47/78/526164778.db2.gz KTJCYOKUISUCHS-QGZVFWFLSA-N 1 3 369.469 1.950 20 30 FDEDHO NC(=NOCC[NH+]1CCCCC1)c1ccccc1CN1CCC(O)CC1 ZINC000194391072 537275741 /nfs/dbraw/zinc/27/57/41/537275741.db2.gz WTPCBLAXWWETKT-UHFFFAOYSA-N 1 3 360.502 1.766 20 30 FDEDHO COc1nn(C)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000330026061 537650007 /nfs/dbraw/zinc/65/00/07/537650007.db2.gz LDACTZXKJBANDL-UHFFFAOYSA-N 1 3 350.467 1.313 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000560865250 545622256 /nfs/dbraw/zinc/62/22/56/545622256.db2.gz QYEVUHWZOVKINQ-UHFFFAOYSA-N 1 3 350.507 1.134 20 30 FDEDHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000577277741 550639790 /nfs/dbraw/zinc/63/97/90/550639790.db2.gz XXEFQKATJFOURA-IBGZPJMESA-N 1 3 357.502 1.461 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)N2CCN(C)CC2)CC1 ZINC000592343573 551982643 /nfs/dbraw/zinc/98/26/43/551982643.db2.gz DZEBHDRLYNKGJX-UHFFFAOYSA-N 1 3 351.539 1.352 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000598451064 552896798 /nfs/dbraw/zinc/89/67/98/552896798.db2.gz MTYYJMXJFOXTHU-IEBWSBKVSA-N 1 3 352.438 1.298 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000598451064 552896799 /nfs/dbraw/zinc/89/67/99/552896799.db2.gz MTYYJMXJFOXTHU-IEBWSBKVSA-N 1 3 352.438 1.298 20 30 FDEDHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306748 553021635 /nfs/dbraw/zinc/02/16/35/553021635.db2.gz CZXDWEBVNQETEW-QZTJIDSGSA-N 1 3 353.507 1.490 20 30 FDEDHO N#CC1(C[C@@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)CCOCC1 ZINC000600732835 553308907 /nfs/dbraw/zinc/30/89/07/553308907.db2.gz VNASRHFOFBLEPJ-LJQANCHMSA-N 1 3 358.486 1.959 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1cc(OC)cc(OC)c1 ZINC000123578711 671727916 /nfs/dbraw/zinc/72/79/16/671727916.db2.gz MZRQLUYLLGFIPJ-AWEZNQCLSA-N 1 3 350.463 1.471 20 30 FDEDHO C[NH+]=C(NC[C@@H]1CCCN(CC(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943290 672698679 /nfs/dbraw/zinc/69/86/79/672698679.db2.gz FCKJGWNZGVATJD-INIZCTEOSA-N 1 3 372.579 1.439 20 30 FDEDHO CC[NH+]=C(NC[C@H](C)N1CCC[C@H](C)C1)NC1CCN(C(C)=O)CC1 ZINC000262176883 672741058 /nfs/dbraw/zinc/74/10/58/672741058.db2.gz DDDCLERBHGGHMW-HOTGVXAUSA-N 1 3 351.539 1.673 20 30 FDEDHO CC[NH+]=C(NCCN1CCSCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262784781 672849470 /nfs/dbraw/zinc/84/94/70/672849470.db2.gz MBJWSRYKJPWDPJ-QGZVFWFLSA-N 1 3 353.580 1.561 20 30 FDEDHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCCOC1 ZINC000329389602 676636706 /nfs/dbraw/zinc/63/67/06/676636706.db2.gz RYBPXKGDSGOJCA-HOTGVXAUSA-N 1 3 352.523 1.864 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@](C)(C(N)=O)C3)CC2)CC1 ZINC000329975521 676666622 /nfs/dbraw/zinc/66/66/22/676666622.db2.gz YEGWHPZKKFARQI-GOSISDBHSA-N 1 3 351.495 1.706 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891255292 774167869 /nfs/dbraw/zinc/16/78/69/774167869.db2.gz OMJMWFDBDGMLCV-FQEVSTJZSA-N 1 3 356.514 1.817 20 30 FDEDHO COc1ccc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000971561116 777642984 /nfs/dbraw/zinc/64/29/84/777642984.db2.gz SFQSRTWGPOHAFV-AYOQOUSVSA-N 1 3 370.497 1.940 20 30 FDEDHO COc1ccc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000971561116 777642986 /nfs/dbraw/zinc/64/29/86/777642986.db2.gz SFQSRTWGPOHAFV-AYOQOUSVSA-N 1 3 370.497 1.940 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCC(C)(C)C)C[C@@H]32)CC1 ZINC001083283461 791200444 /nfs/dbraw/zinc/20/04/44/791200444.db2.gz CFFFXWLYCDFKOH-RBUKOAKNSA-N 1 3 361.530 1.679 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCC(C)(C)C)C[C@@H]32)CC1 ZINC001083283461 791200450 /nfs/dbraw/zinc/20/04/50/791200450.db2.gz CFFFXWLYCDFKOH-RBUKOAKNSA-N 1 3 361.530 1.679 20 30 FDEDHO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)C1=O ZINC001104810034 793793072 /nfs/dbraw/zinc/79/30/72/793793072.db2.gz XEEKBHIAPDOEDE-KURKYZTESA-N 1 3 364.534 1.189 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067229 795129564 /nfs/dbraw/zinc/12/95/64/795129564.db2.gz SIJZYDHBHSRCPN-IXDOHACOSA-N 1 3 352.523 1.092 20 30 FDEDHO CNC(=O)CC1CCN(C(NC[C@]2(N(C)C)CCC[C@@H](C)C2)=[NH+]C)CC1 ZINC000261706745 810068605 /nfs/dbraw/zinc/06/86/05/810068605.db2.gz GSVGESPGXGUHIX-UZLBHIALSA-N 1 3 365.566 1.920 20 30 FDEDHO N#Cc1cccc(CN2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)c1 ZINC001088171922 827241285 /nfs/dbraw/zinc/24/12/85/827241285.db2.gz NDTPBEHFIICNDR-UXHICEINSA-N 1 3 364.493 1.934 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105670135 844353480 /nfs/dbraw/zinc/35/34/80/844353480.db2.gz YAZGDFNWOVEQSN-IZBJGVDFSA-N 1 3 351.535 1.870 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(N(C)C)CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637062 842270119 /nfs/dbraw/zinc/27/01/19/842270119.db2.gz IXXKPGUDPUMATN-FTEYMNFISA-N 1 3 361.530 1.460 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105657375 842493991 /nfs/dbraw/zinc/49/39/91/842493991.db2.gz YNPMQTNDMUMVRI-JYBIWHBTSA-N 1 3 360.502 1.885 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)C(C)C ZINC000842193380 845449799 /nfs/dbraw/zinc/44/97/99/845449799.db2.gz KPZKHJQXWWYEQV-DAWZGUTISA-N 1 3 364.534 1.530 20 30 FDEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@H]2C)C1=O ZINC001106340348 874838936 /nfs/dbraw/zinc/83/89/36/874838936.db2.gz TWFJKIAQXORROK-BRWVUGGUSA-N 1 3 364.534 1.188 20 30 FDEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413516 884307153 /nfs/dbraw/zinc/30/71/53/884307153.db2.gz RPTQUPMAAIOQKC-QRFRQXIXSA-N 1 3 364.534 1.093 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518447 905328335 /nfs/dbraw/zinc/32/83/35/905328335.db2.gz UHJQCQLMSZEIGW-CTAFRAEOSA-N 1 3 361.530 1.727 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518447 905328355 /nfs/dbraw/zinc/32/83/55/905328355.db2.gz UHJQCQLMSZEIGW-CTAFRAEOSA-N 1 3 361.530 1.727 20 30 FDEDHO CC#CCN[C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001127832855 906473175 /nfs/dbraw/zinc/47/31/75/906473175.db2.gz QUIQRFPMEMNEOJ-NZSAHSFTSA-N 1 3 369.513 1.230 20 30 FDEDHO CC#CCN[C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001127832855 906473184 /nfs/dbraw/zinc/47/31/84/906473184.db2.gz QUIQRFPMEMNEOJ-NZSAHSFTSA-N 1 3 369.513 1.230 20 30 FDEDHO C#CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCN(C)CC1 ZINC000921533881 907640113 /nfs/dbraw/zinc/64/01/13/907640113.db2.gz YMGKYJFLYFDFGW-RTBURBONSA-N 1 3 362.518 1.103 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)CC1 ZINC001085432534 924678821 /nfs/dbraw/zinc/67/88/21/924678821.db2.gz CPQCOROJPLNBLX-WOJBJXKFSA-N 1 3 371.529 1.325 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2)CC1 ZINC001085432721 924680271 /nfs/dbraw/zinc/68/02/71/924680271.db2.gz MVSKZMYONDMMGI-WOJBJXKFSA-N 1 3 354.498 1.944 20 30 FDEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 ZINC001130107190 938687302 /nfs/dbraw/zinc/68/73/02/938687302.db2.gz ILLBZCRFGSZGSH-MSOLQXFVSA-N 1 3 362.522 1.708 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590197 939896323 /nfs/dbraw/zinc/89/63/23/939896323.db2.gz DKZNKFBQYMWGCR-QXAKKESOSA-N 1 3 357.502 1.200 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130671965 939970576 /nfs/dbraw/zinc/97/05/76/939970576.db2.gz DVPABRSSKIVXFL-FUHWJXTLSA-N 1 3 359.518 1.305 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001131007664 940433803 /nfs/dbraw/zinc/43/38/03/940433803.db2.gz FFFAVZBAAZRFGD-ZHALLVOQSA-N 1 3 359.518 1.611 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131126345 940508152 /nfs/dbraw/zinc/50/81/52/940508152.db2.gz YCRRTFASAXJAKU-QZTJIDSGSA-N 1 3 357.502 1.203 20 30 FDEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086762845 942406889 /nfs/dbraw/zinc/40/68/89/942406889.db2.gz CVMBALBMHNNEDP-CLEAANHHSA-N 1 3 353.894 1.477 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086985312 953002481 /nfs/dbraw/zinc/00/24/81/953002481.db2.gz CUZSRXAENBNZGQ-RBUKOAKNSA-N 1 3 371.529 1.590 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086985312 953002489 /nfs/dbraw/zinc/00/24/89/953002489.db2.gz CUZSRXAENBNZGQ-RBUKOAKNSA-N 1 3 371.529 1.590 20 30 FDEDHO O=C(C#CC1CC[NH2+]CC1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000852863990 967669569 /nfs/dbraw/zinc/66/95/69/967669569.db2.gz MEBMQVDBEIARDD-UHFFFAOYSA-N 1 3 355.482 1.832 20 30 FDEDHO CN1CCN(CCCNC(=O)C#CC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000852872052 967678973 /nfs/dbraw/zinc/67/89/73/967678973.db2.gz AIJOJQSHOUMECL-NRFANRHFSA-N 1 3 368.525 1.484 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000848393363 976714425 /nfs/dbraw/zinc/71/44/25/976714425.db2.gz AIHULQAITUEZAR-QGZVFWFLSA-N 1 3 358.442 1.945 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000848394094 976715674 /nfs/dbraw/zinc/71/56/74/976715674.db2.gz MWYMFJMZZQHNHG-QGZVFWFLSA-N 1 3 358.442 1.945 20 30 FDEDHO C#Cc1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000124655610 989158998 /nfs/dbraw/zinc/15/89/98/989158998.db2.gz MKWDSJASYLIEPT-LJQANCHMSA-N 1 3 370.497 1.481 20 30 FDEDHO C#Cc1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000124655610 989159006 /nfs/dbraw/zinc/15/90/06/989159006.db2.gz MKWDSJASYLIEPT-LJQANCHMSA-N 1 3 370.497 1.481 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000875182105 991022041 /nfs/dbraw/zinc/02/20/41/991022041.db2.gz DQCPBDHWSQHXKJ-UHFFFAOYSA-N 1 3 350.507 1.132 20 30 FDEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000876780359 992905816 /nfs/dbraw/zinc/90/58/16/992905816.db2.gz FRGXDVBDNZPSEC-GOSISDBHSA-N 1 3 364.921 1.780 20 30 FDEDHO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000083034776 524233780 /nfs/dbraw/zinc/23/37/80/524233780.db2.gz LHHUESMWAQPFAK-HIFRSBDPSA-N 1 3 372.391 1.853 20 30 FDEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083032510 524235091 /nfs/dbraw/zinc/23/50/91/524235091.db2.gz OWWJHZHKFKCFTP-FUHWJXTLSA-N 1 3 359.518 1.688 20 30 FDEDHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@@H](C)O1 ZINC000131425819 525858171 /nfs/dbraw/zinc/85/81/71/525858171.db2.gz QJVPSPJNEXIVPG-IAGOWNOFSA-N 1 3 350.507 1.570 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CCN([C@@H](C)C(=O)NCC=C)CC2 ZINC000364080265 537388718 /nfs/dbraw/zinc/38/87/18/537388718.db2.gz FKLRZAFQHGBFKS-DLBZAZTESA-N 1 3 362.518 1.156 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CCN([C@@H](C)C(=O)NCC=C)CC2 ZINC000364080265 537388724 /nfs/dbraw/zinc/38/87/24/537388724.db2.gz FKLRZAFQHGBFKS-DLBZAZTESA-N 1 3 362.518 1.156 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000561450428 545856045 /nfs/dbraw/zinc/85/60/45/545856045.db2.gz JXWYNKKLXKWXAF-GOSISDBHSA-N 1 3 364.534 1.476 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000561450428 545856053 /nfs/dbraw/zinc/85/60/53/545856053.db2.gz JXWYNKKLXKWXAF-GOSISDBHSA-N 1 3 364.534 1.476 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000563725971 546662291 /nfs/dbraw/zinc/66/22/91/546662291.db2.gz UYICUBASWFSLFT-GOSISDBHSA-N 1 3 362.518 1.230 20 30 FDEDHO CN1CCC([NH+]2CCC(NC[C@@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000582236192 551194404 /nfs/dbraw/zinc/19/44/04/551194404.db2.gz GAXFCRAOEQPQGL-HXUWFJFHSA-N 1 3 372.513 1.446 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000582433559 551223751 /nfs/dbraw/zinc/22/37/51/551223751.db2.gz GPHNEHPHNUUNHW-UHFFFAOYSA-N 1 3 364.534 1.569 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCn1cc(Br)cn1 ZINC000286970757 675910743 /nfs/dbraw/zinc/91/07/43/675910743.db2.gz CBUNOHMOCZYFQP-ZDUSSCGKSA-N 1 3 357.300 1.424 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000370295954 677562086 /nfs/dbraw/zinc/56/20/86/677562086.db2.gz AYFZZTHCBKQUSI-MSOLQXFVSA-N 1 3 350.507 1.268 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000370295954 677562088 /nfs/dbraw/zinc/56/20/88/677562088.db2.gz AYFZZTHCBKQUSI-MSOLQXFVSA-N 1 3 350.507 1.268 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374616312 678088528 /nfs/dbraw/zinc/08/85/28/678088528.db2.gz YYQSVPZMHORJIA-QZTJIDSGSA-N 1 3 350.551 1.900 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374616312 678088533 /nfs/dbraw/zinc/08/85/33/678088533.db2.gz YYQSVPZMHORJIA-QZTJIDSGSA-N 1 3 350.551 1.900 20 30 FDEDHO CON=Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000255314381 776972503 /nfs/dbraw/zinc/97/25/03/776972503.db2.gz BBQSVZHHRZDIKB-UHFFFAOYSA-N 1 3 358.486 1.955 20 30 FDEDHO COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506930 778740087 /nfs/dbraw/zinc/74/00/87/778740087.db2.gz MLBLEWMWLTYLNJ-RXVVDRJESA-N 1 3 361.530 1.729 20 30 FDEDHO C=CCN1CCC(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000660707250 801184519 /nfs/dbraw/zinc/18/45/19/801184519.db2.gz NAEJZCDPWNLWAX-UHFFFAOYSA-N 1 3 364.534 1.827 20 30 FDEDHO C=CC[C@@]1(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662721541 802908181 /nfs/dbraw/zinc/90/81/81/802908181.db2.gz YIHWFBDTMCALBG-QFIPXVFZSA-N 1 3 370.541 1.961 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000664020348 810174502 /nfs/dbraw/zinc/17/45/02/810174502.db2.gz QWYJFAVYUOTFPF-HXUWFJFHSA-N 1 3 372.513 1.703 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000664020348 810174503 /nfs/dbraw/zinc/17/45/03/810174503.db2.gz QWYJFAVYUOTFPF-HXUWFJFHSA-N 1 3 372.513 1.703 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000419564753 812020383 /nfs/dbraw/zinc/02/03/83/812020383.db2.gz CYGKDHHBISCUDM-FGTMMUONSA-N 1 3 364.534 1.387 20 30 FDEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261994321 817982003 /nfs/dbraw/zinc/98/20/03/817982003.db2.gz SAQWNGLJUWAWBP-LJQANCHMSA-N 1 3 364.534 1.709 20 30 FDEDHO Cc1cc(=O)n(C)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000328600623 819529423 /nfs/dbraw/zinc/52/94/23/819529423.db2.gz DCNRALACHOWQMK-UHFFFAOYSA-N 1 3 361.490 1.578 20 30 FDEDHO C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262417043 826528862 /nfs/dbraw/zinc/52/88/62/826528862.db2.gz QIFLLPWAYCPQOB-HXUWFJFHSA-N 1 3 367.541 1.607 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105670137 844360246 /nfs/dbraw/zinc/36/02/46/844360246.db2.gz YAZGDFNWOVEQSN-LFGUQSLTSA-N 1 3 351.535 1.870 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000478017377 843509443 /nfs/dbraw/zinc/50/94/43/843509443.db2.gz SPTHQJCRACCUSD-JXFKEZNVSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798491 878002946 /nfs/dbraw/zinc/00/29/46/878002946.db2.gz HPADVPWJZLKEOS-KZNAEPCWSA-N 1 3 364.534 1.093 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@@H]2O)CC1 ZINC001084090365 913372119 /nfs/dbraw/zinc/37/21/19/913372119.db2.gz WWIJJGHXMJCRJT-TZJYRCSTSA-N 1 3 361.530 1.319 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@@H]2O)CC1 ZINC001084090365 913372136 /nfs/dbraw/zinc/37/21/36/913372136.db2.gz WWIJJGHXMJCRJT-TZJYRCSTSA-N 1 3 361.530 1.319 20 30 FDEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259533 902295057 /nfs/dbraw/zinc/29/50/57/902295057.db2.gz DZFBUZLQDDVWFL-GBESFXJTSA-N 1 3 361.530 1.844 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082559861 908613593 /nfs/dbraw/zinc/61/35/93/908613593.db2.gz RBQBBOQQPRWRBJ-ZNOIYHFQSA-N 1 3 358.461 1.974 20 30 FDEDHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1)N(C)C ZINC001082589253 908839588 /nfs/dbraw/zinc/83/95/88/908839588.db2.gz RKTWDMBGALHPKI-ZTFGCOKTSA-N 1 3 358.486 1.844 20 30 FDEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735724 930276808 /nfs/dbraw/zinc/27/68/08/930276808.db2.gz UKTYQMCDBKDLEN-YRXWBPOGSA-N 1 3 365.518 1.411 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cncn1C ZINC001131038614 940467172 /nfs/dbraw/zinc/46/71/72/940467172.db2.gz ZTNRDDNOKNDWOB-IAGOWNOFSA-N 1 3 357.502 1.202 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC)C2)CC1 ZINC001131128152 940509881 /nfs/dbraw/zinc/50/98/81/940509881.db2.gz SSOUIOCABHZHJD-RTBURBONSA-N 1 3 371.529 1.449 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1cncn1C ZINC001131132236 940512370 /nfs/dbraw/zinc/51/23/70/940512370.db2.gz FCPCLAISNLHSJJ-KURKYZTESA-N 1 3 357.502 1.202 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1cncn1C ZINC001131132237 940512460 /nfs/dbraw/zinc/51/24/60/940512460.db2.gz FCPCLAISNLHSJJ-KZNAEPCWSA-N 1 3 357.502 1.202 20 30 FDEDHO C#C[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCOCC1 ZINC000856100098 970910020 /nfs/dbraw/zinc/91/00/20/970910020.db2.gz KWKXVXJEFSOMTJ-FQEVSTJZSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982463 952995265 /nfs/dbraw/zinc/99/52/65/952995265.db2.gz LEJRWOQNEFFPHG-GBESFXJTSA-N 1 3 357.502 1.200 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982463 952995266 /nfs/dbraw/zinc/99/52/66/952995266.db2.gz LEJRWOQNEFFPHG-GBESFXJTSA-N 1 3 357.502 1.200 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1c1cnn(C)c1 ZINC001087011368 953103878 /nfs/dbraw/zinc/10/38/78/953103878.db2.gz STFVCILWEPXNRI-VQTJNVASSA-N 1 3 367.497 1.866 20 30 FDEDHO CN(CCN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000852866926 967672386 /nfs/dbraw/zinc/67/23/86/967672386.db2.gz NSYNUYYDXYUCEO-UHFFFAOYSA-N 1 3 368.525 1.266 20 30 FDEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110747670 982054509 /nfs/dbraw/zinc/05/45/09/982054509.db2.gz XMCYQTUYZZLBCX-QRVBRYPASA-N 1 3 358.486 1.832 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000876760815 992883313 /nfs/dbraw/zinc/88/33/13/992883313.db2.gz QXBMMACUTQZCPF-HNNXBMFYSA-N 1 3 352.866 1.064 20 30 FDEDHO COC[C@H](C)NC(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000264111679 997404133 /nfs/dbraw/zinc/40/41/33/997404133.db2.gz QYMNWSVKKREIEY-SFHVURJKSA-N 1 3 361.534 1.524 20 30 FDEDHO C#CCN1CCC(NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CC1 ZINC000928653731 1001610515 /nfs/dbraw/zinc/61/05/15/1001610515.db2.gz YJNUFOFVWXTZHT-UHFFFAOYSA-N 1 3 360.546 1.397 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)C(C)C ZINC000642769836 1007890620 /nfs/dbraw/zinc/89/06/20/1007890620.db2.gz DLBKYEABEYXGLM-MRXNPFEDSA-N 1 3 350.507 1.141 20 30 FDEDHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000171657104 258267531 /nfs/dbraw/zinc/26/75/31/258267531.db2.gz UBCQZFLEPMQHSM-UHFFFAOYSA-N 1 3 371.485 1.277 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000553326844 543609745 /nfs/dbraw/zinc/60/97/45/543609745.db2.gz GLFWVYBGUYKFLD-NVXWUHKLSA-N 1 3 350.507 1.084 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000553326844 543609746 /nfs/dbraw/zinc/60/97/46/543609746.db2.gz GLFWVYBGUYKFLD-NVXWUHKLSA-N 1 3 350.507 1.084 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000553735416 543688461 /nfs/dbraw/zinc/68/84/61/543688461.db2.gz SORXIODIPNDUEY-INIZCTEOSA-N 1 3 364.534 1.332 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000553672128 543678751 /nfs/dbraw/zinc/67/87/51/543678751.db2.gz MGLPTJCGXJJWCH-KRWDZBQOSA-N 1 3 364.534 1.381 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000559376216 544664482 /nfs/dbraw/zinc/66/44/82/544664482.db2.gz HJDQNIFYKWONLA-UHFFFAOYSA-N 1 3 352.523 1.378 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000368417932 260180035 /nfs/dbraw/zinc/18/00/35/260180035.db2.gz VFJXWIUXFFHSGV-LMQGHGSNSA-N 1 3 373.497 1.777 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000368417932 260180036 /nfs/dbraw/zinc/18/00/36/260180036.db2.gz VFJXWIUXFFHSGV-LMQGHGSNSA-N 1 3 373.497 1.777 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000368417930 260180088 /nfs/dbraw/zinc/18/00/88/260180088.db2.gz VFJXWIUXFFHSGV-GKBFQHABSA-N 1 3 373.497 1.777 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000368417930 260180089 /nfs/dbraw/zinc/18/00/89/260180089.db2.gz VFJXWIUXFFHSGV-GKBFQHABSA-N 1 3 373.497 1.777 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccccc3C#N)CC2)CC1 ZINC000050803009 522943097 /nfs/dbraw/zinc/94/30/97/522943097.db2.gz MVCPWXXNNSTFNY-UHFFFAOYSA-N 1 3 356.470 1.612 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000077663092 523407358 /nfs/dbraw/zinc/40/73/58/523407358.db2.gz ZBFYPSQXJHAWHN-KRWDZBQOSA-N 1 3 364.534 1.827 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000089896884 524540744 /nfs/dbraw/zinc/54/07/44/524540744.db2.gz IAGODXNYNLOJJV-PMACEKPBSA-N 1 3 372.513 1.571 20 30 FDEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccccc1C#N ZINC000125558083 525213381 /nfs/dbraw/zinc/21/33/81/525213381.db2.gz SFCICZQHLLCPNB-SFHVURJKSA-N 1 3 358.486 1.812 20 30 FDEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccccc1C#N ZINC000125558083 525213391 /nfs/dbraw/zinc/21/33/91/525213391.db2.gz SFCICZQHLLCPNB-SFHVURJKSA-N 1 3 358.486 1.812 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000561412754 545837347 /nfs/dbraw/zinc/83/73/47/545837347.db2.gz RESKLCPZEBCIMG-INIZCTEOSA-N 1 3 352.523 1.236 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000592353350 551983863 /nfs/dbraw/zinc/98/38/63/551983863.db2.gz VXSXDXMMQVUMDL-UHFFFAOYSA-N 1 3 364.534 1.971 20 30 FDEDHO N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000594444674 552311661 /nfs/dbraw/zinc/31/16/61/552311661.db2.gz BIMZMMKONBQGFR-OALUTQOASA-N 1 3 358.486 1.805 20 30 FDEDHO N#CC1(C[C@@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000599305199 553021203 /nfs/dbraw/zinc/02/12/03/553021203.db2.gz VTMLQYAMDCQKCC-GOSISDBHSA-N 1 3 365.518 1.635 20 30 FDEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481137 771872196 /nfs/dbraw/zinc/87/21/96/771872196.db2.gz FHALYNRHMWUOJB-UJRDFLTJSA-N 1 3 357.498 1.091 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656311086 774898231 /nfs/dbraw/zinc/89/82/31/774898231.db2.gz IWBOLPZLOSNLBR-ZWKOTPCHSA-N 1 3 362.518 1.276 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104363953 777490658 /nfs/dbraw/zinc/49/06/58/777490658.db2.gz PWZVKIAAKQJBTF-IXDOHACOSA-N 1 3 366.550 1.482 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891520846 778205947 /nfs/dbraw/zinc/20/59/47/778205947.db2.gz RCAIZOHEJSPTQQ-KRWDZBQOSA-N 1 3 350.507 1.485 20 30 FDEDHO COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682365 789366811 /nfs/dbraw/zinc/36/68/11/789366811.db2.gz NUXASROEXZVMSA-QZTJIDSGSA-N 1 3 351.535 1.688 20 30 FDEDHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261993121 811362988 /nfs/dbraw/zinc/36/29/88/811362988.db2.gz MYABLKLGPPUNMN-MRXNPFEDSA-N 1 3 359.522 1.424 20 30 FDEDHO COc1ccc(CNC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)cc1OC ZINC000281740127 826203082 /nfs/dbraw/zinc/20/30/82/826203082.db2.gz JWRAQPUHFVISOO-UHFFFAOYSA-N 1 3 363.506 1.134 20 30 FDEDHO C[NH+]=C(NCCc1nnc2n1CCCCC2)N1CC[C@@H](N2CCCCC2)C1 ZINC000262454208 826983776 /nfs/dbraw/zinc/98/37/76/826983776.db2.gz KQHICFQZFVCKRQ-QGZVFWFLSA-N 1 3 373.549 1.683 20 30 FDEDHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569499 848467420 /nfs/dbraw/zinc/46/74/20/848467420.db2.gz YWQXDXANVSFWDH-CMKODMSKSA-N 1 3 368.481 1.573 20 30 FDEDHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569499 848467427 /nfs/dbraw/zinc/46/74/27/848467427.db2.gz YWQXDXANVSFWDH-CMKODMSKSA-N 1 3 368.481 1.573 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]32)CC1 ZINC001076605479 848555558 /nfs/dbraw/zinc/55/55/58/848555558.db2.gz BXKSOSKVBONMGA-SLFFLAALSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]32)CC1 ZINC001076605479 848555562 /nfs/dbraw/zinc/55/55/62/848555562.db2.gz BXKSOSKVBONMGA-SLFFLAALSA-N 1 3 359.514 1.433 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCCCC2CC[NH2+]CC2)CC1 ZINC000911237865 858349131 /nfs/dbraw/zinc/34/91/31/858349131.db2.gz ZWEZLCHYWGDZST-UHFFFAOYSA-N 1 3 364.534 1.429 20 30 FDEDHO C#CCN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CCN(C)CC1 ZINC000914026627 870383833 /nfs/dbraw/zinc/38/38/33/870383833.db2.gz HYFAWFCCTFALDU-UHFFFAOYSA-N 1 3 372.513 1.866 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)CC1 ZINC000917137188 883109231 /nfs/dbraw/zinc/10/92/31/883109231.db2.gz MFPILXGLGBJZBF-SFHVURJKSA-N 1 3 364.534 1.922 20 30 FDEDHO C#CCCNCc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128107517 896967445 /nfs/dbraw/zinc/96/74/45/896967445.db2.gz SKFRMUDFVYDIDL-NZSAHSFTSA-N 1 3 369.513 1.230 20 30 FDEDHO C#CCCNCc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107517 896967449 /nfs/dbraw/zinc/96/74/49/896967449.db2.gz SKFRMUDFVYDIDL-NZSAHSFTSA-N 1 3 369.513 1.230 20 30 FDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279483 923461456 /nfs/dbraw/zinc/46/14/56/923461456.db2.gz MHQRKVFVXYEIGN-YLADIXGZSA-N 1 3 353.894 1.619 20 30 FDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279483 923461462 /nfs/dbraw/zinc/46/14/62/923461462.db2.gz MHQRKVFVXYEIGN-YLADIXGZSA-N 1 3 353.894 1.619 20 30 FDEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433856 938424169 /nfs/dbraw/zinc/42/41/69/938424169.db2.gz WDYRRRBNFGQMFF-KSZLIROESA-N 1 3 362.522 1.542 20 30 FDEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433856 938424170 /nfs/dbraw/zinc/42/41/70/938424170.db2.gz WDYRRRBNFGQMFF-KSZLIROESA-N 1 3 362.522 1.542 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1n1ccnn1 ZINC001130137110 938710058 /nfs/dbraw/zinc/71/00/58/938710058.db2.gz IYCIKWZZUSWEPS-MOPGFXCFSA-N 1 3 366.469 1.018 20 30 FDEDHO C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(CC)CC)CC1 ZINC001130305438 938803895 /nfs/dbraw/zinc/80/38/95/938803895.db2.gz ZXLQQXMTIVXKDL-XLIONFOSSA-N 1 3 364.534 1.380 20 30 FDEDHO CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001131585061 940770792 /nfs/dbraw/zinc/77/07/92/940770792.db2.gz LTIJOMGPCFMSMY-CTNGQTDRSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000818612325 943301115 /nfs/dbraw/zinc/30/11/15/943301115.db2.gz WKVXWIBOXQOVKH-UHFFFAOYSA-N 1 3 356.514 1.578 20 30 FDEDHO C#CC[N@@H+](C)CCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000818612325 943301118 /nfs/dbraw/zinc/30/11/18/943301118.db2.gz WKVXWIBOXQOVKH-UHFFFAOYSA-N 1 3 356.514 1.578 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000772 953052186 /nfs/dbraw/zinc/05/21/86/953052186.db2.gz NEMYILWCDJNWBP-IPMKNSEASA-N 1 3 359.518 1.753 20 30 FDEDHO C=C(CN1CCCC1)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001183044058 962758149 /nfs/dbraw/zinc/75/81/49/962758149.db2.gz BSNIRCAJKOIKPM-UHFFFAOYSA-N 1 3 354.454 1.495 20 30 FDEDHO C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189870680 967321467 /nfs/dbraw/zinc/32/14/67/967321467.db2.gz CWZJRQQMBXLSOW-OKZBNKHCSA-N 1 3 362.518 1.038 20 30 FDEDHO NC(=O)C1CCN(Cc2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)CC1 ZINC000852859000 967664382 /nfs/dbraw/zinc/66/43/82/967664382.db2.gz LFIHYWOVDQRUHS-UHFFFAOYSA-N 1 3 368.481 1.325 20 30 FDEDHO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718763 988715052 /nfs/dbraw/zinc/71/50/52/988715052.db2.gz BAEAHLPPZXGKNF-OXJNMPFZSA-N 1 3 369.513 1.986 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652146928 1016769123 /nfs/dbraw/zinc/76/91/23/1016769123.db2.gz BYHRNEQSBCPPEN-BQFCYCMXSA-N 1 3 350.507 1.565 20 30 FDEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111038990 1005127313 /nfs/dbraw/zinc/12/73/13/1005127313.db2.gz UKTYQMCDBKDLEN-MANSERQUSA-N 1 3 365.518 1.411 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000642769890 1007890741 /nfs/dbraw/zinc/89/07/41/1007890741.db2.gz UCLNIGFABRGIBO-DLBZAZTESA-N 1 3 350.507 1.060 20 30 FDEDHO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000530230450 539915793 /nfs/dbraw/zinc/91/57/93/539915793.db2.gz GFROHWRPMHGHCC-APWZRJJASA-N 1 3 359.470 1.388 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000550834489 543183427 /nfs/dbraw/zinc/18/34/27/543183427.db2.gz KSUZOXKKRSTCLC-ZWKOTPCHSA-N 1 3 364.534 1.354 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000171568197 526038074 /nfs/dbraw/zinc/03/80/74/526038074.db2.gz CZRMNCHYCKKWFF-SJLPKXTDSA-N 1 3 362.518 1.086 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000171568197 526038088 /nfs/dbraw/zinc/03/80/88/526038088.db2.gz CZRMNCHYCKKWFF-SJLPKXTDSA-N 1 3 362.518 1.086 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109174655 526086647 /nfs/dbraw/zinc/08/66/47/526086647.db2.gz SVJQNSFTFSMMAH-GOSISDBHSA-N 1 3 352.523 1.419 20 30 FDEDHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330231646 537653251 /nfs/dbraw/zinc/65/32/51/537653251.db2.gz RDPNTWGPKLVXHT-HCXYKTFWSA-N 1 3 364.534 1.837 20 30 FDEDHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000591736735 551904702 /nfs/dbraw/zinc/90/47/02/551904702.db2.gz MUFRPFVJXJAELE-IEBWSBKVSA-N 1 3 358.486 1.056 20 30 FDEDHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000598540556 552907448 /nfs/dbraw/zinc/90/74/48/552907448.db2.gz PNMMLXVENMAFHB-RTBURBONSA-N 1 3 354.454 1.810 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)N2CCC(CC)(N3CCOCC3)CC2)CC1 ZINC000623635026 556459847 /nfs/dbraw/zinc/45/98/47/556459847.db2.gz OUULIAAMMLAYJV-UHFFFAOYSA-N 1 3 364.534 1.923 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)ccc1OC ZINC000264083939 672900668 /nfs/dbraw/zinc/90/06/68/672900668.db2.gz IHQKOPGYIGUTEH-BBRMVZONSA-N 1 3 350.463 1.126 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000304749670 676544345 /nfs/dbraw/zinc/54/43/45/676544345.db2.gz HWZUJSIFOAXDON-BBRMVZONSA-N 1 3 353.461 1.956 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000419567093 680279124 /nfs/dbraw/zinc/27/91/24/680279124.db2.gz HOZLDEOKZSIUKJ-YESZJQIVSA-N 1 3 350.507 1.058 20 30 FDEDHO C=CCCN1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083194059 771239676 /nfs/dbraw/zinc/23/96/76/771239676.db2.gz UCINBPXGUZFERJ-VQTJNVASSA-N 1 3 357.498 1.892 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294611 773895379 /nfs/dbraw/zinc/89/53/79/773895379.db2.gz TWJDVIQOKYBWRL-IXDOHACOSA-N 1 3 364.534 1.236 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)NCC#C[C@@H]3CCCCO3)CC2)CC1 ZINC000892522077 786726664 /nfs/dbraw/zinc/72/66/64/786726664.db2.gz OTQWTHQFSOLBSE-IBGZPJMESA-N 1 3 362.518 1.417 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)CC1 ZINC001105060516 795102381 /nfs/dbraw/zinc/10/23/81/795102381.db2.gz HHGNZWXMFBPXDK-IEBWSBKVSA-N 1 3 371.529 1.340 20 30 FDEDHO C=CCNC(=O)[C@H](C)N1CCC2(CC[N@@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC000364080267 795135713 /nfs/dbraw/zinc/13/57/13/795135713.db2.gz FKLRZAFQHGBFKS-IRXDYDNUSA-N 1 3 362.518 1.156 20 30 FDEDHO C=CCNC(=O)[C@H](C)N1CCC2(CC[N@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC000364080267 795135724 /nfs/dbraw/zinc/13/57/24/795135724.db2.gz FKLRZAFQHGBFKS-IRXDYDNUSA-N 1 3 362.518 1.156 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000419564714 812020249 /nfs/dbraw/zinc/02/02/49/812020249.db2.gz CUAJDMZIQMXZOP-AEFFLSMTSA-N 1 3 364.534 1.387 20 30 FDEDHO N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000521611613 821314025 /nfs/dbraw/zinc/31/40/25/821314025.db2.gz FYZPHONWJLUFKH-GIVPXCGWSA-N 1 3 373.497 1.655 20 30 FDEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000330129646 825661671 /nfs/dbraw/zinc/66/16/71/825661671.db2.gz KCIYRWKGMCIYPK-MRXNPFEDSA-N 1 3 365.522 1.013 20 30 FDEDHO C#CCN(C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452236 852901284 /nfs/dbraw/zinc/90/12/84/852901284.db2.gz NNRUYBGCXXDIOB-OALUTQOASA-N 1 3 357.502 1.011 20 30 FDEDHO C#CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCN(C)CC1 ZINC000917000913 882776094 /nfs/dbraw/zinc/77/60/94/882776094.db2.gz YXALHRYWRCIJDJ-UHFFFAOYSA-N 1 3 362.518 1.370 20 30 FDEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@H]2C)C1=O ZINC001106340349 874838630 /nfs/dbraw/zinc/83/86/30/874838630.db2.gz TWFJKIAQXORROK-ZACQAIPSSA-N 1 3 364.534 1.188 20 30 FDEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455192 875398642 /nfs/dbraw/zinc/39/86/42/875398642.db2.gz FBDASOSMRKOGJV-YDZJUHGASA-N 1 3 353.894 1.286 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798490 878003579 /nfs/dbraw/zinc/00/35/79/878003579.db2.gz HPADVPWJZLKEOS-FGTMMUONSA-N 1 3 364.534 1.093 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2C)CC1 ZINC001080997605 906971231 /nfs/dbraw/zinc/97/12/31/906971231.db2.gz GPTVWPBWACDBTM-NZSAHSFTSA-N 1 3 361.530 1.583 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2C)CC1 ZINC001080997605 906971235 /nfs/dbraw/zinc/97/12/35/906971235.db2.gz GPTVWPBWACDBTM-NZSAHSFTSA-N 1 3 361.530 1.583 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453835 938421027 /nfs/dbraw/zinc/42/10/27/938421027.db2.gz KZXGOFSDYXVSHH-MSOLQXFVSA-N 1 3 360.506 1.462 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2c2ccccc2)CC1 ZINC001086625410 938512393 /nfs/dbraw/zinc/51/23/93/938512393.db2.gz YNTRBXXYIFHMLS-LEWJYISDSA-N 1 3 369.509 1.298 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2c2ccccc2)CC1 ZINC001086625410 938512396 /nfs/dbraw/zinc/51/23/96/938512396.db2.gz YNTRBXXYIFHMLS-LEWJYISDSA-N 1 3 369.509 1.298 20 30 FDEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001130007138 938624566 /nfs/dbraw/zinc/62/45/66/938624566.db2.gz BGXBIQAUKGRYID-SQNIBIBYSA-N 1 3 362.522 1.706 20 30 FDEDHO C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001130301836 938800108 /nfs/dbraw/zinc/80/01/08/938800108.db2.gz HHORNHRWVBTBTO-AOIWGVFYSA-N 1 3 364.534 1.378 20 30 FDEDHO C=CCN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632807 939936182 /nfs/dbraw/zinc/93/61/82/939936182.db2.gz RGOHJAHJCWNDGI-FUHWJXTLSA-N 1 3 359.518 1.755 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010185 940441109 /nfs/dbraw/zinc/44/11/09/940441109.db2.gz DTWPKDLRMQSKSG-IAGOWNOFSA-N 1 3 359.518 1.755 20 30 FDEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735090 952754324 /nfs/dbraw/zinc/75/43/24/952754324.db2.gz IXSYZPDEUUWWLC-LMNJBCLMSA-N 1 3 359.514 1.433 20 30 FDEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735090 952754327 /nfs/dbraw/zinc/75/43/27/952754327.db2.gz IXSYZPDEUUWWLC-LMNJBCLMSA-N 1 3 359.514 1.433 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001093672828 958514464 /nfs/dbraw/zinc/51/44/64/958514464.db2.gz FTKXSGSECYGSJQ-LSBZLQRGSA-N 1 3 358.461 1.976 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](C)C2)CC1 ZINC001094240149 960159661 /nfs/dbraw/zinc/15/96/61/960159661.db2.gz SAKJFHKPAJVBGT-CRAIPNDOSA-N 1 3 358.486 1.512 20 30 FDEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474005 960643555 /nfs/dbraw/zinc/64/35/55/960643555.db2.gz FYVKKURYHNQALN-LONDADKYSA-N 1 3 357.498 1.234 20 30 FDEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474005 960643562 /nfs/dbraw/zinc/64/35/62/960643562.db2.gz FYVKKURYHNQALN-LONDADKYSA-N 1 3 357.498 1.234 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000852358670 967250687 /nfs/dbraw/zinc/25/06/87/967250687.db2.gz XZULXODNCJBCDK-UHFFFAOYSA-N 1 3 350.507 1.132 20 30 FDEDHO CC(C)(C)OC(=O)N1CCN2C(NCCN3CCCC3(C)C)=[NH+]C[C@H]2C1 ZINC000849117182 977329690 /nfs/dbraw/zinc/32/96/90/977329690.db2.gz VHSBZTCKABBYNF-HNNXBMFYSA-N 1 3 365.522 1.741 20 30 FDEDHO CC(C)(C)OC(=O)N1CCN2C(NCCN3CCCC3(C)C)=[NH+]C[C@@H]2C1 ZINC000849117183 977329870 /nfs/dbraw/zinc/32/98/70/977329870.db2.gz VHSBZTCKABBYNF-OAHLLOKOSA-N 1 3 365.522 1.741 20 30 FDEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000293342797 988041737 /nfs/dbraw/zinc/04/17/37/988041737.db2.gz KIBGITUTVKJXQD-UHFFFAOYSA-N 1 3 358.486 1.538 20 30 FDEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000876781570 992908072 /nfs/dbraw/zinc/90/80/72/992908072.db2.gz OWGUOBANEFTRJP-QGZVFWFLSA-N 1 3 350.894 1.520 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073542 997394960 /nfs/dbraw/zinc/39/49/60/997394960.db2.gz DVKTZIBTUVAQIP-WMZOPIPTSA-N 1 3 359.518 1.910 20 30 FDEDHO C#CCNC(=O)[C@H](C)N(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857845 1003592923 /nfs/dbraw/zinc/59/29/23/1003592923.db2.gz HNNDUWZABFSTRI-KSZLIROESA-N 1 3 357.498 1.866 20 30 FDEDHO C#CCNC(=O)[C@H](C)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857845 1003592936 /nfs/dbraw/zinc/59/29/36/1003592936.db2.gz HNNDUWZABFSTRI-KSZLIROESA-N 1 3 357.498 1.866 20 30 FDEDHO CCOCCCNC(=[NH2+])NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000303882391 1009670443 /nfs/dbraw/zinc/67/04/43/1009670443.db2.gz HZTLHPHEUGAYAG-LJQANCHMSA-N 1 3 361.534 1.696 20 30 FDEDHO CCOCCCNC(=[NH2+])NCc1ccccc1CN1CCN(CC)CC1 ZINC000303904856 1009687261 /nfs/dbraw/zinc/68/72/61/1009687261.db2.gz VEJWVHPICVHOHB-UHFFFAOYSA-N 1 3 361.534 1.655 20 30 FDEDHO CCOc1ccc(OCC)c(NC(=[NH2+])NCCN2CCN(CC)CC2)c1 ZINC000303909974 1009688499 /nfs/dbraw/zinc/68/84/99/1009688499.db2.gz YNCVKJMRKHBPBS-UHFFFAOYSA-N 1 3 363.506 1.848 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C(C)C ZINC000419566611 1012572436 /nfs/dbraw/zinc/57/24/36/1012572436.db2.gz GURBWOMCPHSINF-PXNSSMCTSA-N 1 3 362.518 1.156 20 30 FDEDHO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000530230455 539915779 /nfs/dbraw/zinc/91/57/79/539915779.db2.gz GFROHWRPMHGHCC-LPHOPBHVSA-N 1 3 359.470 1.388 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000553396834 543626443 /nfs/dbraw/zinc/62/64/43/543626443.db2.gz HYLIWMFEDCPONK-UHFFFAOYSA-N 1 3 366.550 1.768 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000553669064 543677808 /nfs/dbraw/zinc/67/78/08/543677808.db2.gz HNDOYBCUIBUDAD-MRXNPFEDSA-N 1 3 350.507 1.134 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000559793579 544800884 /nfs/dbraw/zinc/80/08/84/544800884.db2.gz GBZGCZTUEGXCJR-IRXDYDNUSA-N 1 3 364.534 1.237 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000077594215 523392474 /nfs/dbraw/zinc/39/24/74/523392474.db2.gz ARDHDNJIMGMFDD-UHFFFAOYSA-N 1 3 350.507 1.391 20 30 FDEDHO C[C@@H](CCNC(=[NH2+])NCCCN1CCOCC1)N(C)Cc1ccccc1 ZINC000083052660 524234382 /nfs/dbraw/zinc/23/43/82/524234382.db2.gz IWDZFOGFEOSMKH-SFHVURJKSA-N 1 3 361.534 1.524 20 30 FDEDHO C#CCN1CCC(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1 ZINC000174884563 524778753 /nfs/dbraw/zinc/77/87/53/524778753.db2.gz VXZHFUWPBSZKFM-UHFFFAOYSA-N 1 3 355.486 1.524 20 30 FDEDHO CCC(=O)N1CC[C@H](NC(NC[C@]2(N(C)C)CCC[C@H](C)C2)=[NH+]C)C1 ZINC000161242969 525061883 /nfs/dbraw/zinc/06/18/83/525061883.db2.gz GZXMLRJYYBCHDK-BXWFABGCSA-N 1 3 351.539 1.673 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1OC ZINC000104179061 525398254 /nfs/dbraw/zinc/39/82/54/525398254.db2.gz KABFWHIHYODNHV-HNNXBMFYSA-N 1 3 364.490 1.644 20 30 FDEDHO CN1CCC(O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433333333 538225366 /nfs/dbraw/zinc/22/53/66/538225366.db2.gz GFPKIZQBBPYVFC-UHFFFAOYSA-N 1 3 354.458 1.405 20 30 FDEDHO CN(CCCN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C ZINC000561788333 545953247 /nfs/dbraw/zinc/95/32/47/545953247.db2.gz XIFCNLCHODJZJO-HXUWFJFHSA-N 1 3 371.529 1.869 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000566117057 547612863 /nfs/dbraw/zinc/61/28/63/547612863.db2.gz RUUCQFHKKLSWOK-NUJGCVRESA-N 1 3 350.532 1.927 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000566117057 547612864 /nfs/dbraw/zinc/61/28/64/547612864.db2.gz RUUCQFHKKLSWOK-NUJGCVRESA-N 1 3 350.532 1.927 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000577255149 550636866 /nfs/dbraw/zinc/63/68/66/550636866.db2.gz LODAVKHHCHEXQQ-UHFFFAOYSA-N 1 3 352.523 1.561 20 30 FDEDHO CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1)[C@H]1CCCN(C)C1 ZINC000592168002 551952739 /nfs/dbraw/zinc/95/27/39/551952739.db2.gz SAGKFZYHGCTTGJ-ZWKOTPCHSA-N 1 3 371.485 1.812 20 30 FDEDHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](N)CCCCC#N)nc2)CC1 ZINC000594439184 552310661 /nfs/dbraw/zinc/31/06/61/552310661.db2.gz PDHRVIJSJCTSCY-QGZVFWFLSA-N 1 3 358.490 1.962 20 30 FDEDHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599336701 553031056 /nfs/dbraw/zinc/03/10/56/553031056.db2.gz MWXLTILLPCNAJJ-GOSISDBHSA-N 1 3 352.523 1.016 20 30 FDEDHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599336701 553031057 /nfs/dbraw/zinc/03/10/57/553031057.db2.gz MWXLTILLPCNAJJ-GOSISDBHSA-N 1 3 352.523 1.016 20 30 FDEDHO N#CC1(C[C@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)CCOCC1 ZINC000600732834 553308861 /nfs/dbraw/zinc/30/88/61/553308861.db2.gz VNASRHFOFBLEPJ-IBGZPJMESA-N 1 3 358.486 1.959 20 30 FDEDHO [NH2+]=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCSCC1 ZINC000303867600 676543300 /nfs/dbraw/zinc/54/33/00/676543300.db2.gz ABMSJEHREREZOI-UHFFFAOYSA-N 1 3 361.559 1.952 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OCC(F)(F)F)c1 ZINC000303872672 676543320 /nfs/dbraw/zinc/54/33/20/676543320.db2.gz CEFGFQYBZXAKOI-CYBMUJFWSA-N 1 3 359.396 1.911 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000303909323 676544002 /nfs/dbraw/zinc/54/40/02/676544002.db2.gz YCQSBHCIXCFQRP-CABCVRRESA-N 1 3 353.511 1.632 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275388263 771772937 /nfs/dbraw/zinc/77/29/37/771772937.db2.gz CHZRAGDHKYIINP-UHFFFAOYSA-N 1 3 358.486 1.496 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656311084 774897787 /nfs/dbraw/zinc/89/77/87/774897787.db2.gz IWBOLPZLOSNLBR-QZTJIDSGSA-N 1 3 362.518 1.276 20 30 FDEDHO C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524404 801398674 /nfs/dbraw/zinc/39/86/74/801398674.db2.gz MIWFXCAINZNRJQ-NSHGMRRFSA-N 1 3 351.535 1.994 20 30 FDEDHO C=CC[C@@H](CC)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419135367 809599580 /nfs/dbraw/zinc/59/95/80/809599580.db2.gz LGWFLCRPFGPGHP-GOSISDBHSA-N 1 3 372.513 1.567 20 30 FDEDHO CN(C)c1noc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000330285426 825794910 /nfs/dbraw/zinc/79/49/10/825794910.db2.gz YWSBADWVDACJHZ-UHFFFAOYSA-N 1 3 364.494 1.583 20 30 FDEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000729592916 830135214 /nfs/dbraw/zinc/13/52/14/830135214.db2.gz NXKOUWOLLOBFLO-GUDVDZBRSA-N 1 3 364.534 1.847 20 30 FDEDHO CCN1CCN(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000482607568 848387221 /nfs/dbraw/zinc/38/72/21/848387221.db2.gz PWBXCAMNVLTRBI-UHFFFAOYSA-N 1 3 369.513 1.298 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2O)CC1 ZINC001084090183 913371080 /nfs/dbraw/zinc/37/10/80/913371080.db2.gz OEIUVBHYDZMCIB-UXHICEINSA-N 1 3 361.530 1.463 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2O)CC1 ZINC001084090183 913371098 /nfs/dbraw/zinc/37/10/98/913371098.db2.gz OEIUVBHYDZMCIB-UXHICEINSA-N 1 3 361.530 1.463 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2O)CC1 ZINC001078228315 898432676 /nfs/dbraw/zinc/43/26/76/898432676.db2.gz LTOHTRPCBSTKIY-WOJBJXKFSA-N 1 3 361.530 1.463 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@H]2O)CC1 ZINC001078228315 898432704 /nfs/dbraw/zinc/43/27/04/898432704.db2.gz LTOHTRPCBSTKIY-WOJBJXKFSA-N 1 3 361.530 1.463 20 30 FDEDHO C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079146991 901970522 /nfs/dbraw/zinc/97/05/22/901970522.db2.gz RAIGVYQHHXLKPI-VAMGGRTRSA-N 1 3 357.498 1.588 20 30 FDEDHO C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079146991 901970529 /nfs/dbraw/zinc/97/05/29/901970529.db2.gz RAIGVYQHHXLKPI-VAMGGRTRSA-N 1 3 357.498 1.588 20 30 FDEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240739 902190523 /nfs/dbraw/zinc/19/05/23/902190523.db2.gz ARKSXXLCQNZEFM-GBESFXJTSA-N 1 3 361.530 1.985 20 30 FDEDHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092752 920805333 /nfs/dbraw/zinc/80/53/33/920805333.db2.gz OZNNVWSIAZVTDO-AABGKKOBSA-N 1 3 352.482 1.933 20 30 FDEDHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092752 920805342 /nfs/dbraw/zinc/80/53/42/920805342.db2.gz OZNNVWSIAZVTDO-AABGKKOBSA-N 1 3 352.482 1.933 20 30 FDEDHO C=CCN1CCN(C(C)C)C(=O)[C@@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169131226 928288290 /nfs/dbraw/zinc/28/82/90/928288290.db2.gz RYSWYYKRUJAKQX-PXCRPINLSA-N 1 3 360.546 1.795 20 30 FDEDHO C=CCN1CCN(C(C)C)C(=O)[C@@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169131226 928288304 /nfs/dbraw/zinc/28/83/04/928288304.db2.gz RYSWYYKRUJAKQX-PXCRPINLSA-N 1 3 360.546 1.795 20 30 FDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130685358 939975357 /nfs/dbraw/zinc/97/53/57/939975357.db2.gz PVDPSOZOVGSDOU-QILLFSRXSA-N 1 3 356.474 1.625 20 30 FDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736996 940038368 /nfs/dbraw/zinc/03/83/68/940038368.db2.gz SYRCHAQPXJXQJI-ZIFCJYIRSA-N 1 3 361.534 1.999 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072347 940485254 /nfs/dbraw/zinc/48/52/54/940485254.db2.gz UGBRVNTXDJYNGJ-IAGOWNOFSA-N 1 3 361.534 1.858 20 30 FDEDHO C#CCCN1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091400429 951572474 /nfs/dbraw/zinc/57/24/74/951572474.db2.gz JAWUOOQPAILCBV-NSISKUIASA-N 1 3 370.497 1.514 20 30 FDEDHO C#CCCN1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091400429 951572478 /nfs/dbraw/zinc/57/24/78/951572478.db2.gz JAWUOOQPAILCBV-NSISKUIASA-N 1 3 370.497 1.514 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncs3)C2)CC1 ZINC001086882486 952914179 /nfs/dbraw/zinc/91/41/79/952914179.db2.gz SPEDOVRTVKUTMK-DOTOQJQBSA-N 1 3 360.527 1.863 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1c1cnn(C)c1 ZINC001087005063 953063668 /nfs/dbraw/zinc/06/36/68/953063668.db2.gz KFVWSAWTZQZXKI-VQTJNVASSA-N 1 3 369.513 1.059 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133201 957618004 /nfs/dbraw/zinc/61/80/04/957618004.db2.gz VWURIWNJLFTGIQ-CRAIPNDOSA-N 1 3 370.472 1.977 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](C)C2)CC1 ZINC001094239984 960158014 /nfs/dbraw/zinc/15/80/14/960158014.db2.gz LSTOMEKBVNWQAJ-DNVCBOLYSA-N 1 3 358.486 1.512 20 30 FDEDHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(OCC#N)cc1 ZINC001095240856 962522000 /nfs/dbraw/zinc/52/20/00/962522000.db2.gz HARCXSRVIXNQAJ-BTHPGYMESA-N 1 3 368.481 1.905 20 30 FDEDHO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(OCC#N)cc1 ZINC001095240856 962522010 /nfs/dbraw/zinc/52/20/10/962522010.db2.gz HARCXSRVIXNQAJ-BTHPGYMESA-N 1 3 368.481 1.905 20 30 FDEDHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001095240856 962522019 /nfs/dbraw/zinc/52/20/19/962522019.db2.gz HARCXSRVIXNQAJ-BTHPGYMESA-N 1 3 368.481 1.905 20 30 FDEDHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001095240856 962522035 /nfs/dbraw/zinc/52/20/35/962522035.db2.gz HARCXSRVIXNQAJ-BTHPGYMESA-N 1 3 368.481 1.905 20 30 FDEDHO C=C(C[NH+]1CCCC1)C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001183043695 962756069 /nfs/dbraw/zinc/75/60/69/962756069.db2.gz VYKQIZMOSYOFRZ-PMACEKPBSA-N 1 3 370.497 1.535 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(CC#N)ccn3)CC2)CC1 ZINC000871721840 987209075 /nfs/dbraw/zinc/20/90/75/987209075.db2.gz CFZAWRXFULIOGE-UHFFFAOYSA-N 1 3 356.474 1.828 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926255536 996000896 /nfs/dbraw/zinc/00/08/96/996000896.db2.gz RRSSFIBBRAWHAZ-ANTGDGSKSA-N 1 3 361.530 1.318 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926255536 996000903 /nfs/dbraw/zinc/00/09/03/996000903.db2.gz RRSSFIBBRAWHAZ-ANTGDGSKSA-N 1 3 361.530 1.318 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000550784023 543173724 /nfs/dbraw/zinc/17/37/24/543173724.db2.gz OPJZDMCICUVMKL-QGZVFWFLSA-N 1 3 364.534 1.381 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000550784023 543173725 /nfs/dbraw/zinc/17/37/25/543173725.db2.gz OPJZDMCICUVMKL-QGZVFWFLSA-N 1 3 364.534 1.381 20 30 FDEDHO COC(=O)[C@]1(C)CN(CC#CC[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000551447281 543286492 /nfs/dbraw/zinc/28/64/92/543286492.db2.gz GUJZBBGPLLHCOP-XNFNUYLZSA-N 1 3 364.486 1.252 20 30 FDEDHO COC(=O)[C@]1(C)CN(CC#CC[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000551447281 543286493 /nfs/dbraw/zinc/28/64/93/543286493.db2.gz GUJZBBGPLLHCOP-XNFNUYLZSA-N 1 3 364.486 1.252 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000553672114 543678361 /nfs/dbraw/zinc/67/83/61/543678361.db2.gz LSECXNPLFFHBDD-QGZVFWFLSA-N 1 3 350.507 1.086 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CS(C)(=O)=O)c1 ZINC000170912447 525768463 /nfs/dbraw/zinc/76/84/63/525768463.db2.gz IMKYAXOWBZZMBH-MRXNPFEDSA-N 1 3 352.504 1.120 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000130572362 525771341 /nfs/dbraw/zinc/77/13/41/525771341.db2.gz WCYGLYMDTQJYTC-UHFFFAOYSA-N 1 3 365.865 1.102 20 30 FDEDHO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000189995351 537125496 /nfs/dbraw/zinc/12/54/96/537125496.db2.gz VQSHXZNPQQMORQ-OWCLPIDISA-N 1 3 354.495 1.113 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000264149483 537138638 /nfs/dbraw/zinc/13/86/38/537138638.db2.gz YTMWOLTZQWGWEX-GFCCVEGCSA-N 1 3 369.395 1.637 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C)C(C)C ZINC000236690865 537597449 /nfs/dbraw/zinc/59/74/49/537597449.db2.gz XTCPQUHRTSIELW-GOSISDBHSA-N 1 3 374.533 1.939 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C#N)CCSC3)CC2)CC1 ZINC000594257249 552272172 /nfs/dbraw/zinc/27/21/72/552272172.db2.gz BKGLRZOHELGNSA-SFHVURJKSA-N 1 3 350.532 1.698 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594437884 552309805 /nfs/dbraw/zinc/30/98/05/552309805.db2.gz LJEDHOXWLZDNQB-AEFFLSMTSA-N 1 3 371.485 1.734 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594437884 552309807 /nfs/dbraw/zinc/30/98/07/552309807.db2.gz LJEDHOXWLZDNQB-AEFFLSMTSA-N 1 3 371.485 1.734 20 30 FDEDHO C=C(CNC(=O)CC1CCN(C)CC1)CNC(=O)CC1CC[NH+](C)CC1 ZINC000620748109 555978724 /nfs/dbraw/zinc/97/87/24/555978724.db2.gz LTFLXRFYZBBRDL-UHFFFAOYSA-N 1 3 364.534 1.239 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NCCN(C)C2CCCCC2)CC1 ZINC000104168542 671594638 /nfs/dbraw/zinc/59/46/38/671594638.db2.gz RTDWLHPVVSSADA-UHFFFAOYSA-N 1 3 353.511 1.776 20 30 FDEDHO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000249493197 672565667 /nfs/dbraw/zinc/56/56/67/672565667.db2.gz VQSHXZNPQQMORQ-JYJNAYRXSA-N 1 3 354.495 1.113 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750307 676544324 /nfs/dbraw/zinc/54/43/24/676544324.db2.gz IGGBUDXKVVKEFI-GJZGRUSLSA-N 1 3 355.527 1.924 20 30 FDEDHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329978940 676666755 /nfs/dbraw/zinc/66/67/55/676666755.db2.gz INZNSYKXKJHHTQ-IAGOWNOFSA-N 1 3 351.539 1.533 20 30 FDEDHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329978940 676666757 /nfs/dbraw/zinc/66/67/57/676666757.db2.gz INZNSYKXKJHHTQ-IAGOWNOFSA-N 1 3 351.539 1.533 20 30 FDEDHO CN1CCN(CCNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1(C)C ZINC000331304468 676726511 /nfs/dbraw/zinc/72/65/11/676726511.db2.gz QYOYCFNKNGXRMS-UHFFFAOYSA-N 1 3 353.555 1.636 20 30 FDEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001104782349 793631065 /nfs/dbraw/zinc/63/10/65/793631065.db2.gz WLFOENPIKNQCEJ-GDBMZVCRSA-N 1 3 367.925 1.885 20 30 FDEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001104847003 794041332 /nfs/dbraw/zinc/04/13/32/794041332.db2.gz OHYIWKFICJMCNV-GDBMZVCRSA-N 1 3 357.926 1.924 20 30 FDEDHO C=C(Br)CNCC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008182 794893636 /nfs/dbraw/zinc/89/36/36/794893636.db2.gz TUGQSRKCSHQDPC-YUELXQCFSA-N 1 3 358.324 1.921 20 30 FDEDHO C=C(Br)CNCC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008182 794893644 /nfs/dbraw/zinc/89/36/44/794893644.db2.gz TUGQSRKCSHQDPC-YUELXQCFSA-N 1 3 358.324 1.921 20 30 FDEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000424139825 815316409 /nfs/dbraw/zinc/31/64/09/815316409.db2.gz FMWQROCZYPVWJB-QGZVFWFLSA-N 1 3 357.458 1.472 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])C(C)C ZINC000419572121 812026684 /nfs/dbraw/zinc/02/66/84/812026684.db2.gz QFMRDNQCVZRZLB-KZNAEPCWSA-N 1 3 364.534 1.387 20 30 FDEDHO CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CCn4ccnc4C3)CC2)CC1 ZINC000330201038 825730290 /nfs/dbraw/zinc/73/02/90/825730290.db2.gz XFAOTOGHWYSNGB-INIZCTEOSA-N 1 3 360.506 1.260 20 30 FDEDHO CN1CCC([NH+]2CCC(NC([O-])=[NH+][C@H]3CCn4ccnc4C3)CC2)CC1 ZINC000330201038 825730293 /nfs/dbraw/zinc/73/02/93/825730293.db2.gz XFAOTOGHWYSNGB-INIZCTEOSA-N 1 3 360.506 1.260 20 30 FDEDHO CN1CCC([NH+]2CCC([NH+]=C([O-])N[C@H]3CCn4ccnc4C3)CC2)CC1 ZINC000330201038 825730296 /nfs/dbraw/zinc/73/02/96/825730296.db2.gz XFAOTOGHWYSNGB-INIZCTEOSA-N 1 3 360.506 1.260 20 30 FDEDHO CNC(=O)[C@]1(C)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000330282127 825793154 /nfs/dbraw/zinc/79/31/54/825793154.db2.gz VDTBIEDSAPDHTM-LJQANCHMSA-N 1 3 365.522 1.757 20 30 FDEDHO CC[NH+]=C(NCCN1CCOCC1(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262455628 826997988 /nfs/dbraw/zinc/99/79/88/826997988.db2.gz KZJIYRFOKGWCMZ-GOSISDBHSA-N 1 3 365.566 1.623 20 30 FDEDHO C=CCN1CCC(NC(NCCc2nnc3ccccn32)=[NH+]C2CC2)CC1 ZINC000899892588 846845494 /nfs/dbraw/zinc/84/54/94/846845494.db2.gz CWEXNGDKSXQLLU-UHFFFAOYSA-N 1 3 367.501 1.620 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000668835733 857453377 /nfs/dbraw/zinc/45/33/77/857453377.db2.gz ISROOENMOALMPU-QGZVFWFLSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137576 883111280 /nfs/dbraw/zinc/11/12/80/883111280.db2.gz RUEOBQRYLONAGP-SOAMZJECSA-N 1 3 364.534 1.416 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137576 883111293 /nfs/dbraw/zinc/11/12/93/883111293.db2.gz RUEOBQRYLONAGP-SOAMZJECSA-N 1 3 364.534 1.416 20 30 FDEDHO C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106907987 889216441 /nfs/dbraw/zinc/21/64/41/889216441.db2.gz KXXVSEDVSSLNBY-QZTJIDSGSA-N 1 3 364.534 1.213 20 30 FDEDHO CCN(CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107424285 904832069 /nfs/dbraw/zinc/83/20/69/904832069.db2.gz GKAWWOFOZDRQLA-QWFCFKBJSA-N 1 3 367.509 1.677 20 30 FDEDHO CCN(CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107424285 904832086 /nfs/dbraw/zinc/83/20/86/904832086.db2.gz GKAWWOFOZDRQLA-QWFCFKBJSA-N 1 3 367.509 1.677 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082741825 909941727 /nfs/dbraw/zinc/94/17/27/909941727.db2.gz DUHKZXKRTHMHIC-GPMSIDNRSA-N 1 3 370.497 1.845 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082741825 909941729 /nfs/dbraw/zinc/94/17/29/909941729.db2.gz DUHKZXKRTHMHIC-GPMSIDNRSA-N 1 3 370.497 1.845 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCOC2)CC1 ZINC001085432865 924680059 /nfs/dbraw/zinc/68/00/59/924680059.db2.gz UFEOEXOVKLBBGS-DFQSSKMNSA-N 1 3 361.530 1.775 20 30 FDEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001129910259 938549691 /nfs/dbraw/zinc/54/96/91/938549691.db2.gz LDBPQBOAEJFZHK-KURKYZTESA-N 1 3 364.538 1.930 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602594 939914237 /nfs/dbraw/zinc/91/42/37/939914237.db2.gz JSSDAQXRZDVMBJ-XYJFISCASA-N 1 3 365.497 1.560 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130639907 939942032 /nfs/dbraw/zinc/94/20/32/939942032.db2.gz RBKZCAFRDSPHOB-FUHWJXTLSA-N 1 3 359.518 1.755 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130678417 939968104 /nfs/dbraw/zinc/96/81/04/939968104.db2.gz ZVSUHTRVZHNEFV-FUHWJXTLSA-N 1 3 357.502 1.059 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130989060 940411197 /nfs/dbraw/zinc/41/11/97/940411197.db2.gz UDXYCIOEVPPGGF-KURKYZTESA-N 1 3 357.502 1.200 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130989060 940411200 /nfs/dbraw/zinc/41/12/00/940411200.db2.gz UDXYCIOEVPPGGF-KURKYZTESA-N 1 3 357.502 1.200 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001086882128 952913379 /nfs/dbraw/zinc/91/33/79/952913379.db2.gz BISZADXOMPSWMB-PKOBYXMFSA-N 1 3 357.502 1.103 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)CC1 ZINC001086882234 952913979 /nfs/dbraw/zinc/91/39/79/952913979.db2.gz HTKYFWXUJLUCPA-PKOBYXMFSA-N 1 3 371.529 1.182 20 30 FDEDHO COc1ccc([C@H](CN2CCCC2)NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852889225 967692464 /nfs/dbraw/zinc/69/24/64/967692464.db2.gz QMXDBDUCBYODSR-FQEVSTJZSA-N 1 3 355.482 1.951 20 30 FDEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066261 969446238 /nfs/dbraw/zinc/44/62/38/969446238.db2.gz FFOKGYXJNGMETC-QZTJIDSGSA-N 1 3 365.522 1.190 20 30 FDEDHO N#C[C@@H]1CNCC12CC(C(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C2 ZINC000884298248 983063930 /nfs/dbraw/zinc/06/39/30/983063930.db2.gz LUEGQEMROVGDGC-RNQBBGLBSA-N 1 3 370.472 1.774 20 30 FDEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1CCN(Cc3ccncc3)CC1)C2 ZINC000884402476 983139317 /nfs/dbraw/zinc/13/93/17/983139317.db2.gz VEWGKIBCHDVQDB-OBXNSHGQSA-N 1 3 367.497 1.549 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C(C)C ZINC000884614469 983278064 /nfs/dbraw/zinc/27/80/64/983278064.db2.gz NURXNYGPBBLQAK-RCCFBDPRSA-N 1 3 362.518 1.154 20 30 FDEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000878485449 993979373 /nfs/dbraw/zinc/97/93/73/993979373.db2.gz OHFUZBGNCWDVNF-GQSCTRQFSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000878485449 993979387 /nfs/dbraw/zinc/97/93/87/993979387.db2.gz OHFUZBGNCWDVNF-GQSCTRQFSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000878485449 993979394 /nfs/dbraw/zinc/97/93/94/993979394.db2.gz OHFUZBGNCWDVNF-GQSCTRQFSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000878485449 993979395 /nfs/dbraw/zinc/97/93/95/993979395.db2.gz OHFUZBGNCWDVNF-GQSCTRQFSA-N 1 3 357.498 1.964 20 30 FDEDHO CN1CCN(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000879590816 995056573 /nfs/dbraw/zinc/05/65/73/995056573.db2.gz LHAFLCZLLKMMQE-LJQANCHMSA-N 1 3 358.486 1.010 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143492 997412667 /nfs/dbraw/zinc/41/26/67/997412667.db2.gz XDKLQNWJRKKMNB-IRXDYDNUSA-N 1 3 363.506 1.350 20 30 FDEDHO Cn1cncc1CON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000267734202 999387069 /nfs/dbraw/zinc/38/70/69/999387069.db2.gz DQQBDLWOCRXTCM-UHFFFAOYSA-N 1 3 356.474 1.417 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287012957 999954013 /nfs/dbraw/zinc/95/40/13/999954013.db2.gz FWMCPPLLEXFEIY-NVXWUHKLSA-N 1 3 361.490 1.386 20 30 FDEDHO C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)N1CCC(C)CC1 ZINC000303894762 1009680410 /nfs/dbraw/zinc/68/04/10/1009680410.db2.gz SUTUUKYNWKHXDG-INIZCTEOSA-N 1 3 367.538 1.974 20 30 FDEDHO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000530233626 539916540 /nfs/dbraw/zinc/91/65/40/539916540.db2.gz ZDHLXDGKAGQHBB-AQNXPRMDSA-N 1 3 373.497 1.655 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000553343038 543613506 /nfs/dbraw/zinc/61/35/06/543613506.db2.gz AWXXSPKLVQRFAU-UHFFFAOYSA-N 1 3 350.507 1.134 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000553343038 543613507 /nfs/dbraw/zinc/61/35/07/543613507.db2.gz AWXXSPKLVQRFAU-UHFFFAOYSA-N 1 3 350.507 1.134 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000077594101 523391490 /nfs/dbraw/zinc/39/14/90/523391490.db2.gz QJKXITSXTXULEO-UHFFFAOYSA-N 1 3 364.534 1.781 20 30 FDEDHO C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158235509 524427043 /nfs/dbraw/zinc/42/70/43/524427043.db2.gz ILJSQYIYWVKDSK-AAEUAGOBSA-N 1 3 360.428 1.833 20 30 FDEDHO CN(C)Cc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000122130775 524458711 /nfs/dbraw/zinc/45/87/11/524458711.db2.gz GNWVNGLHZUCMQO-UHFFFAOYSA-N 1 3 359.474 1.381 20 30 FDEDHO C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158415509 524464363 /nfs/dbraw/zinc/46/43/63/524464363.db2.gz IVJWUEDACPGSOB-WBVHZDCISA-N 1 3 355.490 1.661 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(C)C ZINC000236690742 537596690 /nfs/dbraw/zinc/59/66/90/537596690.db2.gz VGCIHINTQVFUIN-GOSISDBHSA-N 1 3 360.506 1.631 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(CC)CCC[NH+]2CCCC2)CC1 ZINC000576132445 550514205 /nfs/dbraw/zinc/51/42/05/550514205.db2.gz XUUZQLSSMXAHCA-UHFFFAOYSA-N 1 3 364.534 1.478 20 30 FDEDHO CN(C)CCN1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000576391314 550543989 /nfs/dbraw/zinc/54/39/89/550543989.db2.gz SAEVVEZZNMBOQM-IBGZPJMESA-N 1 3 360.502 1.108 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000592343886 551982597 /nfs/dbraw/zinc/98/25/97/551982597.db2.gz MATCYWAVANLYOX-IBGZPJMESA-N 1 3 365.566 1.598 20 30 FDEDHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439919 552310876 /nfs/dbraw/zinc/31/08/76/552310876.db2.gz WHIIAJYXIULPIT-HXUWFJFHSA-N 1 3 371.529 1.852 20 30 FDEDHO N#Cc1ccc(CCN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892607 552629497 /nfs/dbraw/zinc/62/94/97/552629497.db2.gz NRCWGKFBOVLVMC-MOPGFXCFSA-N 1 3 353.470 1.321 20 30 FDEDHO N#Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091101 552654143 /nfs/dbraw/zinc/65/41/43/552654143.db2.gz HVZQMYXOMJGMSW-HZPDHXFCSA-N 1 3 352.486 2.250 20 30 FDEDHO N#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091101 552654145 /nfs/dbraw/zinc/65/41/45/552654145.db2.gz HVZQMYXOMJGMSW-HZPDHXFCSA-N 1 3 352.486 2.250 20 30 FDEDHO CN(C)CCN(C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000598918605 552944892 /nfs/dbraw/zinc/94/48/92/552944892.db2.gz OVTPYEBKBDYXPE-UHFFFAOYSA-N 1 3 357.546 1.996 20 30 FDEDHO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000602876211 553657159 /nfs/dbraw/zinc/65/71/59/553657159.db2.gz GAJLGXZDJWDIHU-GOSISDBHSA-N 1 3 361.534 1.096 20 30 FDEDHO CN(CCCN(C)[C@H]1CCN(c2sccc2C#N)C1=O)CC[NH+](C)C ZINC000298701058 676489299 /nfs/dbraw/zinc/48/92/99/676489299.db2.gz ZXUUTWLHOZUPSK-INIZCTEOSA-N 1 3 363.531 1.540 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)C3CCCC3)CC2)CC1 ZINC000329542743 676643535 /nfs/dbraw/zinc/64/35/35/676643535.db2.gz DZFAMFWBEOKISE-GOSISDBHSA-N 1 3 352.523 1.600 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532264494 694870287 /nfs/dbraw/zinc/87/02/87/694870287.db2.gz YZGUULQFGCLNED-ROUUACIJSA-N 1 3 350.507 1.314 20 30 FDEDHO C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030673 814258070 /nfs/dbraw/zinc/25/80/70/814258070.db2.gz ROSTWVFPHCZCOI-YLJYHZDGSA-N 1 3 369.513 1.845 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000528431889 829400882 /nfs/dbraw/zinc/40/08/82/829400882.db2.gz NTHBTUZXIGEBFX-RLLQIKCJSA-N 1 3 372.513 1.256 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000528431889 829400884 /nfs/dbraw/zinc/40/08/84/829400884.db2.gz NTHBTUZXIGEBFX-RLLQIKCJSA-N 1 3 372.513 1.256 20 30 FDEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000729592914 830134717 /nfs/dbraw/zinc/13/47/17/830134717.db2.gz NXKOUWOLLOBFLO-CEXWTWQISA-N 1 3 364.534 1.847 20 30 FDEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCC2(C1)CCOCC2 ZINC000262754626 831258637 /nfs/dbraw/zinc/25/86/37/831258637.db2.gz ATGVGKVEGSHHGA-UHFFFAOYSA-N 1 3 364.534 1.709 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637624 842272944 /nfs/dbraw/zinc/27/29/44/842272944.db2.gz STTLYDMMCJTHRY-UKAVVXHISA-N 1 3 361.530 1.460 20 30 FDEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)CC(C)(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105655780 842479044 /nfs/dbraw/zinc/47/90/44/842479044.db2.gz KXQUCGNXRMYINP-PLOVASNDSA-N 1 3 363.546 1.564 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661062 842653954 /nfs/dbraw/zinc/65/39/54/842653954.db2.gz DHIOOZXMHXLFEH-IZBJGVDFSA-N 1 3 351.535 1.870 20 30 FDEDHO CN(C)CC#CCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000913522071 862305881 /nfs/dbraw/zinc/30/58/81/862305881.db2.gz YNXYVGNQEMCNGZ-UHFFFAOYSA-N 1 3 353.470 1.407 20 30 FDEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240740 902190328 /nfs/dbraw/zinc/19/03/28/902190328.db2.gz ARKSXXLCQNZEFM-IPMKNSEASA-N 1 3 361.530 1.985 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079242441 902337103 /nfs/dbraw/zinc/33/71/03/902337103.db2.gz YURKCKZLVYMMAN-HSALFYBXSA-N 1 3 371.525 1.291 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107461228 905063792 /nfs/dbraw/zinc/06/37/92/905063792.db2.gz AMXJXEDVKVITDN-UYAOXDASSA-N 1 3 359.514 1.625 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@H]2C)CC1 ZINC001080997805 906972368 /nfs/dbraw/zinc/97/23/68/906972368.db2.gz KVADERWJCCKYAO-NSISKUIASA-N 1 3 361.530 1.583 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2C)CC1 ZINC001080997805 906972374 /nfs/dbraw/zinc/97/23/74/906972374.db2.gz KVADERWJCCKYAO-NSISKUIASA-N 1 3 361.530 1.583 20 30 FDEDHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001082741768 909941845 /nfs/dbraw/zinc/94/18/45/909941845.db2.gz BLALXXMQTGHSAY-SPYBWZPUSA-N 1 3 358.461 1.976 20 30 FDEDHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3cc(C#N)ccc3F)C2)C1 ZINC001082742861 909949338 /nfs/dbraw/zinc/94/93/38/909949338.db2.gz UWKOKILOCFVTIU-SPYBWZPUSA-N 1 3 358.461 1.976 20 30 FDEDHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3cc(C#N)ccc3F)C2)C1 ZINC001082742861 909949339 /nfs/dbraw/zinc/94/93/39/909949339.db2.gz UWKOKILOCFVTIU-SPYBWZPUSA-N 1 3 358.461 1.976 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082920182 910890412 /nfs/dbraw/zinc/89/04/12/910890412.db2.gz UHSQVAIQAAJZRR-QGPMSJSTSA-N 1 3 356.470 1.455 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082920182 910890425 /nfs/dbraw/zinc/89/04/25/910890425.db2.gz UHSQVAIQAAJZRR-QGPMSJSTSA-N 1 3 356.470 1.455 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000743766063 926464011 /nfs/dbraw/zinc/46/40/11/926464011.db2.gz JCULWFVIZCUIFA-OAQYLSRUSA-N 1 3 355.482 1.085 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000743766063 926464016 /nfs/dbraw/zinc/46/40/16/926464016.db2.gz JCULWFVIZCUIFA-OAQYLSRUSA-N 1 3 355.482 1.085 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)C[C@@H]1n1ccnn1 ZINC001129884654 938538826 /nfs/dbraw/zinc/53/88/26/938538826.db2.gz QHFVYIFHDMBECB-SQNIBIBYSA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1n1ccnn1 ZINC001129918816 938567547 /nfs/dbraw/zinc/56/75/47/938567547.db2.gz KIYBQHGYQZACGM-ZACQAIPSSA-N 1 3 362.522 1.705 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590198 939896024 /nfs/dbraw/zinc/89/60/24/939896024.db2.gz DKZNKFBQYMWGCR-UHOSZYNNSA-N 1 3 357.502 1.200 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130612406 939910161 /nfs/dbraw/zinc/91/01/61/939910161.db2.gz ZCBVAQKNZYCCST-UHOSZYNNSA-N 1 3 361.534 1.857 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1cn(C)cn1 ZINC001130734648 940035045 /nfs/dbraw/zinc/03/50/45/940035045.db2.gz XVOHXOHMDVFTGQ-UHOSZYNNSA-N 1 3 357.502 1.202 20 30 FDEDHO CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001131608594 940788498 /nfs/dbraw/zinc/78/84/98/940788498.db2.gz HNMBDFDMSZBWGW-AABGKKOBSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1ccc(OC)cc1 ZINC001090872105 947439474 /nfs/dbraw/zinc/43/94/74/947439474.db2.gz FTIOTLAPXZGBLW-UWHLTILDSA-N 1 3 369.509 1.943 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1ccc(OC)cc1 ZINC001090872105 947439482 /nfs/dbraw/zinc/43/94/82/947439482.db2.gz FTIOTLAPXZGBLW-UWHLTILDSA-N 1 3 369.509 1.943 20 30 FDEDHO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133292 957618043 /nfs/dbraw/zinc/61/80/43/957618043.db2.gz ZWLUSOKBAPASDU-UYAOXDASSA-N 1 3 351.494 1.818 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2C)CC1 ZINC001093223613 957853667 /nfs/dbraw/zinc/85/36/67/957853667.db2.gz CPHXEWHJDWDZMD-MISYRCLQSA-N 1 3 361.530 1.585 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2C)CC1 ZINC001093223613 957853678 /nfs/dbraw/zinc/85/36/78/957853678.db2.gz CPHXEWHJDWDZMD-MISYRCLQSA-N 1 3 361.530 1.585 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000848394148 976715690 /nfs/dbraw/zinc/71/56/90/976715690.db2.gz GZILAEQHWYGHKB-IRXDYDNUSA-N 1 3 358.442 1.945 20 30 FDEDHO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(CN3CCC(O)CC3)c1)C2 ZINC000884190330 982966268 /nfs/dbraw/zinc/96/62/68/982966268.db2.gz AXCHUFWETLKPSJ-BATSVXPKSA-N 1 3 368.481 1.721 20 30 FDEDHO CCC1(N2CCOCC2)CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884442445 983157766 /nfs/dbraw/zinc/15/77/66/983157766.db2.gz FQCFQHZNSFKYOC-HFCFLWKCSA-N 1 3 360.502 1.229 20 30 FDEDHO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363202658 988989514 /nfs/dbraw/zinc/98/95/14/988989514.db2.gz VLOIZYTYSFVGGR-HXUWFJFHSA-N 1 3 373.497 1.873 20 30 FDEDHO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363202658 988989519 /nfs/dbraw/zinc/98/95/19/988989519.db2.gz VLOIZYTYSFVGGR-HXUWFJFHSA-N 1 3 373.497 1.873 20 30 FDEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000948381220 1002280559 /nfs/dbraw/zinc/28/05/59/1002280559.db2.gz IDSSHRYMCMDATN-ZCNNSNEGSA-N 1 3 361.530 1.679 20 30 FDEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1 ZINC000303869560 1009644980 /nfs/dbraw/zinc/64/49/80/1009644980.db2.gz DWJXBYWVPMYOCR-OAHLLOKOSA-N 1 3 363.506 1.704 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000550032213 542993725 /nfs/dbraw/zinc/99/37/25/542993725.db2.gz HRGQKSZGKBKAQY-LJQANCHMSA-N 1 3 372.513 1.042 20 30 FDEDHO CCN1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160660245 524940522 /nfs/dbraw/zinc/94/05/22/524940522.db2.gz STJUBNVOKKIUIM-UHFFFAOYSA-N 1 3 359.396 1.949 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000106338124 525697985 /nfs/dbraw/zinc/69/79/85/525697985.db2.gz PEKIFJHHPTXTDU-UHFFFAOYSA-N 1 3 352.523 1.827 20 30 FDEDHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000131425414 525857220 /nfs/dbraw/zinc/85/72/20/525857220.db2.gz QJVPSPJNEXIVPG-CALCHBBNSA-N 1 3 350.507 1.570 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000304931101 537599327 /nfs/dbraw/zinc/59/93/27/537599327.db2.gz CHKOWKHRBSNLOD-INIZCTEOSA-N 1 3 357.462 1.165 20 30 FDEDHO CN(CCC#N)C[C@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000566108733 547606913 /nfs/dbraw/zinc/60/69/13/547606913.db2.gz CYMGLTKARFRENU-QGZVFWFLSA-N 1 3 350.532 1.756 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000577227539 550634757 /nfs/dbraw/zinc/63/47/57/550634757.db2.gz KMCWQUBHNQTSDS-SFHVURJKSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000577227539 550634759 /nfs/dbraw/zinc/63/47/59/550634759.db2.gz KMCWQUBHNQTSDS-SFHVURJKSA-N 1 3 364.534 1.380 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000579389061 550868500 /nfs/dbraw/zinc/86/85/00/550868500.db2.gz XMKXCZFETACVFM-WMZOPIPTSA-N 1 3 364.534 1.332 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000579389061 550868501 /nfs/dbraw/zinc/86/85/01/550868501.db2.gz XMKXCZFETACVFM-WMZOPIPTSA-N 1 3 364.534 1.332 20 30 FDEDHO C=C(CNC(=O)[C@H]1CCCCN1CC)CNC(=O)[C@@H]1CCCCN1CC ZINC000620748457 555979295 /nfs/dbraw/zinc/97/92/95/555979295.db2.gz QZMGMPYFPWZFOP-HDICACEKSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(CNC(=O)[C@H]1CCCCN1CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000620748457 555979296 /nfs/dbraw/zinc/97/92/96/555979296.db2.gz QZMGMPYFPWZFOP-HDICACEKSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(CNC(=O)[C@H]1CCCCN1CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000620748457 555979298 /nfs/dbraw/zinc/97/92/98/555979298.db2.gz QZMGMPYFPWZFOP-HDICACEKSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(CNC(=O)[C@H]1CCCC[N@@H+]1CC)CNC(=O)[C@@H]1CCCCN1CC ZINC000620748457 555979300 /nfs/dbraw/zinc/97/93/00/555979300.db2.gz QZMGMPYFPWZFOP-HDICACEKSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(CNC(=O)[C@H]1CCCC[N@H+]1CC)CNC(=O)[C@@H]1CCCCN1CC ZINC000620748457 555979301 /nfs/dbraw/zinc/97/93/01/555979301.db2.gz QZMGMPYFPWZFOP-HDICACEKSA-N 1 3 364.534 1.524 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000627371397 557375292 /nfs/dbraw/zinc/37/52/92/557375292.db2.gz DBAJPWFZERNYSE-SJORKVTESA-N 1 3 362.518 1.202 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000627371377 557375327 /nfs/dbraw/zinc/37/53/27/557375327.db2.gz COLFGJDCBGIYCJ-GVDBMIGSSA-N 1 3 350.507 1.058 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCOCC1 ZINC000264085744 672900817 /nfs/dbraw/zinc/90/08/17/672900817.db2.gz JQNYZZNFHUQCCA-JKSUJKDBSA-N 1 3 365.547 1.510 20 30 FDEDHO CCN1CCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266967589 673225562 /nfs/dbraw/zinc/22/55/62/673225562.db2.gz CAQUOJMWFXEEDK-UHFFFAOYSA-N 1 3 357.424 1.747 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000303909325 676543924 /nfs/dbraw/zinc/54/39/24/676543924.db2.gz YCQSBHCIXCFQRP-HUUCEWRRSA-N 1 3 353.511 1.632 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000419567092 680279190 /nfs/dbraw/zinc/27/91/90/680279190.db2.gz HOZLDEOKZSIUKJ-IXDOHACOSA-N 1 3 350.507 1.058 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)C(C)C ZINC000419577998 680282444 /nfs/dbraw/zinc/28/24/44/680282444.db2.gz ZSHCBWPHYJDRAX-JCYILVPMSA-N 1 3 350.507 1.187 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)CC1 ZINC000363346143 771243835 /nfs/dbraw/zinc/24/38/35/771243835.db2.gz RZVSJLWYFCITKT-UHFFFAOYSA-N 1 3 360.546 1.208 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104939008 794489246 /nfs/dbraw/zinc/48/92/46/794489246.db2.gz GFMBWSPJUSAWSF-IXDOHACOSA-N 1 3 352.523 1.093 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOC)C2)CC1 ZINC001211729939 809674669 /nfs/dbraw/zinc/67/46/69/809674669.db2.gz MJMBBLOKBDZQCV-LEWJYISDSA-N 1 3 369.509 1.562 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])C(C)C ZINC000419570036 812023882 /nfs/dbraw/zinc/02/38/82/812023882.db2.gz MZNQWUWEQMBYKM-FGTMMUONSA-N 1 3 364.534 1.530 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000419570865 812024948 /nfs/dbraw/zinc/02/49/48/812024948.db2.gz OFXIRIXDCAHALA-KZNAEPCWSA-N 1 3 364.534 1.245 20 30 FDEDHO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367026569 814238530 /nfs/dbraw/zinc/23/85/30/814238530.db2.gz BDYPRBWYYPSGPT-PKOBYXMFSA-N 1 3 372.513 1.903 20 30 FDEDHO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367026569 814238540 /nfs/dbraw/zinc/23/85/40/814238540.db2.gz BDYPRBWYYPSGPT-PKOBYXMFSA-N 1 3 372.513 1.903 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)C(C)C ZINC000422962532 814912958 /nfs/dbraw/zinc/91/29/58/814912958.db2.gz FZYUCOSAIVVCPA-QGZVFWFLSA-N 1 3 362.518 1.156 20 30 FDEDHO C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N1CC[C@H](N2CC=CC2)C1 ZINC000262417041 826528811 /nfs/dbraw/zinc/52/88/11/826528811.db2.gz QIFLLPWAYCPQOB-FQEVSTJZSA-N 1 3 367.541 1.607 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCn4cccn4)CC[C@@H]3C2)CC1 ZINC001088211862 827492467 /nfs/dbraw/zinc/49/24/67/827492467.db2.gz CZRCFILBWRDTBM-UXHICEINSA-N 1 3 369.513 1.009 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)CC[C@@H]3C2)CC1 ZINC001088211862 827492471 /nfs/dbraw/zinc/49/24/71/827492471.db2.gz CZRCFILBWRDTBM-UXHICEINSA-N 1 3 369.513 1.009 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(N(C)C)CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637223 842270974 /nfs/dbraw/zinc/27/09/74/842270974.db2.gz LTZRGOQLKJNJSF-MLYOOKFZSA-N 1 3 361.530 1.460 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])C(C)C ZINC000906645340 853094989 /nfs/dbraw/zinc/09/49/89/853094989.db2.gz KYNAUYALXPNTRN-SFHVURJKSA-N 1 3 358.486 1.899 20 30 FDEDHO C=C(CC[NH+](C)C)C(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000911891440 859095745 /nfs/dbraw/zinc/09/57/45/859095745.db2.gz HAMHBGBASSGUOJ-PMACEKPBSA-N 1 3 357.498 1.996 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cccc(F)c1 ZINC001079183679 902127350 /nfs/dbraw/zinc/12/73/50/902127350.db2.gz ODJQEQQNZBGAPB-XUVXKRRUSA-N 1 3 355.457 1.685 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243275 902340243 /nfs/dbraw/zinc/34/02/43/902340243.db2.gz WEJSCSYQMWYECM-VNTMZGSJSA-N 1 3 373.541 1.679 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243275 902340255 /nfs/dbraw/zinc/34/02/55/902340255.db2.gz WEJSCSYQMWYECM-VNTMZGSJSA-N 1 3 373.541 1.679 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]2C)CC1 ZINC001080997803 906972896 /nfs/dbraw/zinc/97/28/96/906972896.db2.gz KVADERWJCCKYAO-AHRSYUTCSA-N 1 3 361.530 1.583 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2C)CC1 ZINC001080997803 906972902 /nfs/dbraw/zinc/97/29/02/906972902.db2.gz KVADERWJCCKYAO-AHRSYUTCSA-N 1 3 361.530 1.583 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2OC)CC1 ZINC001082384155 907386577 /nfs/dbraw/zinc/38/65/77/907386577.db2.gz GEHNPUCZRBMTEL-WOJBJXKFSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2OC)CC1 ZINC001082384155 907386591 /nfs/dbraw/zinc/38/65/91/907386591.db2.gz GEHNPUCZRBMTEL-WOJBJXKFSA-N 1 3 361.530 1.727 20 30 FDEDHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082862049 910526628 /nfs/dbraw/zinc/52/66/28/910526628.db2.gz WWDLQAHZMOHZEU-IDHHARJASA-N 1 3 358.461 1.976 20 30 FDEDHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082862049 910526637 /nfs/dbraw/zinc/52/66/37/910526637.db2.gz WWDLQAHZMOHZEU-IDHHARJASA-N 1 3 358.461 1.976 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)nc2)CC1 ZINC001085432804 924679816 /nfs/dbraw/zinc/67/98/16/924679816.db2.gz QMRKESJKWXGRBY-WOJBJXKFSA-N 1 3 369.513 1.647 20 30 FDEDHO C=CCCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129437726 938424702 /nfs/dbraw/zinc/42/47/02/938424702.db2.gz FVTAUZRIMBDSER-MSOLQXFVSA-N 1 3 360.506 1.462 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838073 938535372 /nfs/dbraw/zinc/53/53/72/938535372.db2.gz QEXWFDSZRLHQMR-SQNIBIBYSA-N 1 3 360.506 1.459 20 30 FDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894346 938555479 /nfs/dbraw/zinc/55/54/79/938555479.db2.gz BTNPPFRVFWWNPI-NXHRZFHOSA-N 1 3 360.506 1.459 20 30 FDEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306744 971594758 /nfs/dbraw/zinc/59/47/58/971594758.db2.gz HYJQZWKYOSMACA-IPMKNSEASA-N 1 3 367.534 1.395 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ocnc3C)C2)CC1 ZINC001086882138 952913885 /nfs/dbraw/zinc/91/38/85/952913885.db2.gz BTYQENIFISBPLV-FUHWJXTLSA-N 1 3 358.486 1.703 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086992993 953025701 /nfs/dbraw/zinc/02/57/01/953025701.db2.gz AOHGDUJVWJSMAM-YTQUADARSA-N 1 3 357.502 1.059 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086992993 953025705 /nfs/dbraw/zinc/02/57/05/953025705.db2.gz AOHGDUJVWJSMAM-YTQUADARSA-N 1 3 357.502 1.059 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001093672723 958513881 /nfs/dbraw/zinc/51/38/81/958513881.db2.gz BKVINIJPHVRFHS-BJZITVGISA-N 1 3 358.461 1.976 20 30 FDEDHO CN(C)CCn1c(=O)oc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc21 ZINC000852862534 967668561 /nfs/dbraw/zinc/66/85/61/967668561.db2.gz ACBJMWJVCRURFZ-UHFFFAOYSA-N 1 3 356.426 1.098 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCN1c2ccccc2OCC1=O ZINC000267451763 999339543 /nfs/dbraw/zinc/33/95/43/999339543.db2.gz RSBGKFZGBYNBDU-OAHLLOKOSA-N 1 3 359.474 1.191 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000642769892 1007891114 /nfs/dbraw/zinc/89/11/14/1007891114.db2.gz UCLNIGFABRGIBO-IRXDYDNUSA-N 1 3 350.507 1.060 20 30 FDEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304496190 1010226425 /nfs/dbraw/zinc/22/64/25/1010226425.db2.gz NQBFDPNAOITJOR-DLBZAZTESA-N 1 3 373.501 1.357 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000557731376 544337540 /nfs/dbraw/zinc/33/75/40/544337540.db2.gz NUQRHKLQRAGTIM-GOSISDBHSA-N 1 3 362.518 1.230 20 30 FDEDHO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174729236 524709867 /nfs/dbraw/zinc/70/98/67/524709867.db2.gz MMTPYOUIMPHINU-LJQANCHMSA-N 1 3 371.529 1.891 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1OC ZINC000104165325 525397714 /nfs/dbraw/zinc/39/77/14/525397714.db2.gz YCQWOPSMUODOTA-AWEZNQCLSA-N 1 3 350.463 1.601 20 30 FDEDHO COC[C@H](C)NC(=[NH2+])NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000104170818 525398032 /nfs/dbraw/zinc/39/80/32/525398032.db2.gz ICHQFHFTIKXBBC-SFHVURJKSA-N 1 3 361.534 1.836 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC2CCOCC2)c1 ZINC000267398011 536976087 /nfs/dbraw/zinc/97/60/87/536976087.db2.gz FGMDSELYMGXOEY-MRXNPFEDSA-N 1 3 361.490 1.528 20 30 FDEDHO C=CCCCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420202218 538254397 /nfs/dbraw/zinc/25/43/97/538254397.db2.gz JAFHNZHRUQEPFV-UHFFFAOYSA-N 1 3 372.513 1.521 20 30 FDEDHO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCN(C)CC[NH+](C)C ZINC000573721955 550200709 /nfs/dbraw/zinc/20/07/09/550200709.db2.gz QRKMLJSEOHPOHK-KRWDZBQOSA-N 1 3 351.539 1.533 20 30 FDEDHO CN1CCC(C[NH2+][C@H]2CCc3ccc(C#N)cc32)(N2CCOCC2)CC1 ZINC000582951765 551284779 /nfs/dbraw/zinc/28/47/79/551284779.db2.gz CDPDQDHMMDWMHT-FQEVSTJZSA-N 1 3 354.498 1.932 20 30 FDEDHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000591736987 551905098 /nfs/dbraw/zinc/90/50/98/551905098.db2.gz ZIFRZAMJKOBBAH-UYAOXDASSA-N 1 3 372.513 1.250 20 30 FDEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000593762724 552193453 /nfs/dbraw/zinc/19/34/53/552193453.db2.gz GLPXBRAHOVVEFP-ZDUSSCGKSA-N 1 3 364.471 1.884 20 30 FDEDHO C[NH+](C)CCC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000598540554 552907526 /nfs/dbraw/zinc/90/75/26/552907526.db2.gz PNMMLXVENMAFHB-OALUTQOASA-N 1 3 354.454 1.810 20 30 FDEDHO N#Cc1ccc(OC[C@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844322 553649455 /nfs/dbraw/zinc/64/94/55/553649455.db2.gz AMQDUEQXYWDGHL-LJQANCHMSA-N 1 3 352.438 1.905 20 30 FDEDHO C=C(CNC(=O)[C@H]1CCCN1CCC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000620747886 555978755 /nfs/dbraw/zinc/97/87/55/555978755.db2.gz IEQMGCJRTNZFQH-QZTJIDSGSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(CNC(=O)[C@H]1CCCN1CCC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000620747886 555978758 /nfs/dbraw/zinc/97/87/58/555978758.db2.gz IEQMGCJRTNZFQH-QZTJIDSGSA-N 1 3 364.534 1.524 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000186871356 672276951 /nfs/dbraw/zinc/27/69/51/672276951.db2.gz GRHZTZDZOUROGZ-LBPRGKRZSA-N 1 3 363.453 1.535 20 30 FDEDHO C=C[C@H](CO)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000290002466 676186657 /nfs/dbraw/zinc/18/66/57/676186657.db2.gz ZFXRSZJIYJVFGJ-GDBMZVCRSA-N 1 3 355.504 1.114 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750305 676544429 /nfs/dbraw/zinc/54/44/29/676544429.db2.gz IGGBUDXKVVKEFI-CABCVRRESA-N 1 3 355.527 1.924 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)CC1 ZINC000363250896 676943713 /nfs/dbraw/zinc/94/37/13/676943713.db2.gz VPXQHCXAAVJWNM-UHFFFAOYSA-N 1 3 350.507 1.533 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)CC1 ZINC000363250896 676943714 /nfs/dbraw/zinc/94/37/14/676943714.db2.gz VPXQHCXAAVJWNM-UHFFFAOYSA-N 1 3 350.507 1.533 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104289531 773583552 /nfs/dbraw/zinc/58/35/52/773583552.db2.gz LXYWUWNHBDZPAP-IXDOHACOSA-N 1 3 364.534 1.236 20 30 FDEDHO CCN1CCC[C@H](NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000330239018 795418732 /nfs/dbraw/zinc/41/87/32/795418732.db2.gz IBHCYWDPTDRRIQ-PZJWPPBQSA-N 1 3 374.529 1.954 20 30 FDEDHO CCN1CCC[C@H](NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000330239018 795418737 /nfs/dbraw/zinc/41/87/37/795418737.db2.gz IBHCYWDPTDRRIQ-PZJWPPBQSA-N 1 3 374.529 1.954 20 30 FDEDHO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000261931064 811346506 /nfs/dbraw/zinc/34/65/06/811346506.db2.gz BJIIUCFFADJUOR-YJBOKZPZSA-N 1 3 369.517 1.969 20 30 FDEDHO C=C(C)CN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420208992 813556272 /nfs/dbraw/zinc/55/62/72/813556272.db2.gz SUOVZQTVGGHXCF-UHFFFAOYSA-N 1 3 358.486 1.131 20 30 FDEDHO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451606248 830401201 /nfs/dbraw/zinc/40/12/01/830401201.db2.gz NAACAIBEBHIAQU-UXHICEINSA-N 1 3 357.498 1.962 20 30 FDEDHO C[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262782788 831420138 /nfs/dbraw/zinc/42/01/38/831420138.db2.gz LLYQKLCQBCTPGA-ALOPSCKCSA-N 1 3 373.501 1.302 20 30 FDEDHO C[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262782788 831420146 /nfs/dbraw/zinc/42/01/46/831420146.db2.gz LLYQKLCQBCTPGA-ALOPSCKCSA-N 1 3 373.501 1.302 20 30 FDEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCC(C(=O)OC)CC1 ZINC000086281079 841543654 /nfs/dbraw/zinc/54/36/54/841543654.db2.gz PSCCMWWYSCRNRJ-UHFFFAOYSA-N 1 3 366.506 1.092 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000478017380 843509477 /nfs/dbraw/zinc/50/94/77/843509477.db2.gz SPTHQJCRACCUSD-OXQOHEQNSA-N 1 3 364.534 1.380 20 30 FDEDHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462498 848213949 /nfs/dbraw/zinc/21/39/49/848213949.db2.gz XEKFZYLLTPDGDS-HSALFYBXSA-N 1 3 352.482 1.933 20 30 FDEDHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462498 848213953 /nfs/dbraw/zinc/21/39/53/848213953.db2.gz XEKFZYLLTPDGDS-HSALFYBXSA-N 1 3 352.482 1.933 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]32)CC1 ZINC001076605480 848555680 /nfs/dbraw/zinc/55/56/80/848555680.db2.gz BXKSOSKVBONMGA-XUVXKRRUSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]32)CC1 ZINC001076605480 848555685 /nfs/dbraw/zinc/55/56/85/848555685.db2.gz BXKSOSKVBONMGA-XUVXKRRUSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2O)CC1 ZINC001078227281 898429472 /nfs/dbraw/zinc/42/94/72/898429472.db2.gz SJRHDWXZHGUFFL-WOJBJXKFSA-N 1 3 359.514 1.383 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2O)CC1 ZINC001078227281 898429478 /nfs/dbraw/zinc/42/94/78/898429478.db2.gz SJRHDWXZHGUFFL-WOJBJXKFSA-N 1 3 359.514 1.383 20 30 FDEDHO C#CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCN(C)CC1 ZINC000921533874 907640212 /nfs/dbraw/zinc/64/02/12/907640212.db2.gz YMGKYJFLYFDFGW-MOPGFXCFSA-N 1 3 362.518 1.103 20 30 FDEDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1C#N ZINC001082740777 909935853 /nfs/dbraw/zinc/93/58/53/909935853.db2.gz GGNBLSHPKXKTMO-JTDSTZFVSA-N 1 3 370.497 1.988 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086090690 925950754 /nfs/dbraw/zinc/95/07/54/925950754.db2.gz MNZYCZXKGMQXKO-SKWUIDRYSA-N 1 3 370.497 1.891 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086090690 925950755 /nfs/dbraw/zinc/95/07/55/925950755.db2.gz MNZYCZXKGMQXKO-SKWUIDRYSA-N 1 3 370.497 1.891 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030472 938631959 /nfs/dbraw/zinc/63/19/59/938631959.db2.gz BWMJVVPBFKARHZ-SQNIBIBYSA-N 1 3 360.506 1.459 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131003811 940429855 /nfs/dbraw/zinc/42/98/55/940429855.db2.gz QWWHHINVYMCPGG-BRWVUGGUSA-N 1 3 365.497 1.560 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131008014 940434519 /nfs/dbraw/zinc/43/45/19/940434519.db2.gz RVVUCAVSZYAHSN-GUDVDZBRSA-N 1 3 371.529 1.305 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131008014 940434521 /nfs/dbraw/zinc/43/45/21/940434521.db2.gz RVVUCAVSZYAHSN-GUDVDZBRSA-N 1 3 371.529 1.305 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131022834 940456496 /nfs/dbraw/zinc/45/64/96/940456496.db2.gz ILAVVNXOFULGSU-QRVBRYPASA-N 1 3 371.529 1.448 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131022834 940456497 /nfs/dbraw/zinc/45/64/97/940456497.db2.gz ILAVVNXOFULGSU-QRVBRYPASA-N 1 3 371.529 1.448 20 30 FDEDHO C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001131564498 940740518 /nfs/dbraw/zinc/74/05/18/940740518.db2.gz MANOJJSDAXGPIG-QUCCMNQESA-N 1 3 363.546 1.973 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090880646 947593936 /nfs/dbraw/zinc/59/39/36/947593936.db2.gz CWRMPSVBLNAVJI-XUVXKRRUSA-N 1 3 357.498 1.799 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090881109 947598817 /nfs/dbraw/zinc/59/88/17/947598817.db2.gz ZUZJBNAELGMDFP-LSTHTHJFSA-N 1 3 355.482 1.554 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090881109 947598820 /nfs/dbraw/zinc/59/88/20/947598820.db2.gz ZUZJBNAELGMDFP-LSTHTHJFSA-N 1 3 355.482 1.554 20 30 FDEDHO N=C(Nc1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc(C(N)=O)cc1 ZINC001171255521 951647825 /nfs/dbraw/zinc/64/78/25/951647825.db2.gz AYHROIQVWVVDNB-RXVVDRJESA-N 1 3 364.449 1.843 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(N3CCN(C)CC3)CC2)CC1 ZINC000868221828 977359506 /nfs/dbraw/zinc/35/95/06/977359506.db2.gz MVJYAYQXCPNSLE-UHFFFAOYSA-N 1 3 363.550 1.448 20 30 FDEDHO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000884193758 982969455 /nfs/dbraw/zinc/96/94/55/982969455.db2.gz OOHCALRKBMEOIS-KYBDOYODSA-N 1 3 352.482 1.907 20 30 FDEDHO N#C[C@H]1CNCC12CC(C(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C2 ZINC000884298247 983064326 /nfs/dbraw/zinc/06/43/26/983064326.db2.gz LUEGQEMROVGDGC-IWTSUJQZSA-N 1 3 370.472 1.774 20 30 FDEDHO Cc1ccc(CN2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1 ZINC000884465912 983171445 /nfs/dbraw/zinc/17/14/45/983171445.db2.gz MSCDJKMVNZQOQQ-XTBIFASLSA-N 1 3 352.482 1.825 20 30 FDEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000875712175 991929571 /nfs/dbraw/zinc/92/95/71/991929571.db2.gz CFJIJDHCMMHHLU-KXBFYZLASA-N 1 3 357.502 1.597 20 30 FDEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000875712175 991929573 /nfs/dbraw/zinc/92/95/73/991929573.db2.gz CFJIJDHCMMHHLU-KXBFYZLASA-N 1 3 357.502 1.597 20 30 FDEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000876784489 992911913 /nfs/dbraw/zinc/91/19/13/992911913.db2.gz HLVJEQYHWDAAQQ-QGZVFWFLSA-N 1 3 366.893 1.721 20 30 FDEDHO CN1CCN(C2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)CC1 ZINC000879591657 995060246 /nfs/dbraw/zinc/06/02/46/995060246.db2.gz RVLCKHFGLIOHNY-FQEVSTJZSA-N 1 3 372.513 1.204 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000270817667 999619280 /nfs/dbraw/zinc/61/92/80/999619280.db2.gz HXSPHMKGNIGRAX-NHCUHLMSSA-N 1 3 369.509 1.331 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000270817667 999619281 /nfs/dbraw/zinc/61/92/81/999619281.db2.gz HXSPHMKGNIGRAX-NHCUHLMSSA-N 1 3 369.509 1.331 20 30 FDEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198110 1006817440 /nfs/dbraw/zinc/81/74/40/1006817440.db2.gz JIADVNDLSFLAQF-NXHRZFHOSA-N 1 3 351.491 1.021 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C(C)C ZINC000642769873 1007890593 /nfs/dbraw/zinc/89/05/93/1007890593.db2.gz RGGJNRSBMWBWKV-FGTMMUONSA-N 1 3 362.518 1.012 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000303875508 1009645778 /nfs/dbraw/zinc/64/57/78/1009645778.db2.gz DLPBTBXDZJPKDI-VQTJNVASSA-N 1 3 373.545 1.757 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000522286143 539556796 /nfs/dbraw/zinc/55/67/96/539556796.db2.gz XOBXOUZZEKBPSJ-UHFFFAOYSA-N 1 3 352.523 1.779 20 30 FDEDHO C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000331379032 259190791 /nfs/dbraw/zinc/19/07/91/259190791.db2.gz FRDXQRRDIPJRNH-FXAWDEMLSA-N 1 3 369.513 1.845 20 30 FDEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083032515 524235130 /nfs/dbraw/zinc/23/51/30/524235130.db2.gz OWWJHZHKFKCFTP-SJLPKXTDSA-N 1 3 359.518 1.688 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000178727345 525471413 /nfs/dbraw/zinc/47/14/13/525471413.db2.gz WJBSUMPKLVUCLR-RBUKOAKNSA-N 1 3 364.534 1.704 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000283403479 537376302 /nfs/dbraw/zinc/37/63/02/537376302.db2.gz HYBMWBNGKPXICB-UHFFFAOYSA-N 1 3 372.513 1.391 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000283403479 537376312 /nfs/dbraw/zinc/37/63/12/537376312.db2.gz HYBMWBNGKPXICB-UHFFFAOYSA-N 1 3 372.513 1.391 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000561412755 545836833 /nfs/dbraw/zinc/83/68/33/545836833.db2.gz RESKLCPZEBCIMG-MRXNPFEDSA-N 1 3 352.523 1.236 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000570870251 549441842 /nfs/dbraw/zinc/44/18/42/549441842.db2.gz JLJIZLQWWJTMAM-UHFFFAOYSA-N 1 3 364.534 1.524 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000570870251 549441843 /nfs/dbraw/zinc/44/18/43/549441843.db2.gz JLJIZLQWWJTMAM-UHFFFAOYSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000578215292 550740259 /nfs/dbraw/zinc/74/02/59/550740259.db2.gz VAZPQYAQGNVBPT-KRWDZBQOSA-N 1 3 364.534 1.380 20 30 FDEDHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000591736737 551904854 /nfs/dbraw/zinc/90/48/54/551904854.db2.gz MUFRPFVJXJAELE-PKOBYXMFSA-N 1 3 358.486 1.056 20 30 FDEDHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439531 552310532 /nfs/dbraw/zinc/31/05/32/552310532.db2.gz RMSMACSKHDOVCS-FQEVSTJZSA-N 1 3 371.529 1.852 20 30 FDEDHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439918 552311054 /nfs/dbraw/zinc/31/10/54/552311054.db2.gz WHIIAJYXIULPIT-FQEVSTJZSA-N 1 3 371.529 1.852 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000597441752 552789650 /nfs/dbraw/zinc/78/96/50/552789650.db2.gz USJGZNVUQDZTNV-SFHVURJKSA-N 1 3 355.486 1.774 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597441751 552789794 /nfs/dbraw/zinc/78/97/94/552789794.db2.gz USJGZNVUQDZTNV-GOSISDBHSA-N 1 3 355.486 1.774 20 30 FDEDHO CC[NH+]1CCC(NC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000330262535 567957419 /nfs/dbraw/zinc/95/74/19/567957419.db2.gz VDXUWBLDTRQZMI-NRFANRHFSA-N 1 3 374.529 1.954 20 30 FDEDHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000330274132 568077482 /nfs/dbraw/zinc/07/74/82/568077482.db2.gz JPMXHXRCJAEYIT-WIYYLYMNSA-N 1 3 372.513 1.706 20 30 FDEDHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000330274132 568077483 /nfs/dbraw/zinc/07/74/83/568077483.db2.gz JPMXHXRCJAEYIT-WIYYLYMNSA-N 1 3 372.513 1.706 20 30 FDEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000073629446 671402939 /nfs/dbraw/zinc/40/29/39/671402939.db2.gz JSOSVZPWRJUUAS-BEFAXECRSA-N 1 3 352.523 1.957 20 30 FDEDHO C=C[C@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000290002470 676186609 /nfs/dbraw/zinc/18/66/09/676186609.db2.gz ZFXRSZJIYJVFGJ-GOEBONIOSA-N 1 3 355.504 1.114 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cn1 ZINC000305093997 676544789 /nfs/dbraw/zinc/54/47/89/676544789.db2.gz QYVIUUBAHNXMII-ZDUSSCGKSA-N 1 3 359.396 1.868 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)C3CCCC3)CC2)CC1 ZINC000329542744 676643524 /nfs/dbraw/zinc/64/35/24/676643524.db2.gz DZFAMFWBEOKISE-SFHVURJKSA-N 1 3 352.523 1.600 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)C(C)C ZINC000419576925 680282048 /nfs/dbraw/zinc/28/20/48/680282048.db2.gz YLHOEWYUGSYBEC-KRWDZBQOSA-N 1 3 350.507 1.012 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656311085 774898055 /nfs/dbraw/zinc/89/80/55/774898055.db2.gz IWBOLPZLOSNLBR-ROUUACIJSA-N 1 3 362.518 1.276 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000660597620 800695805 /nfs/dbraw/zinc/69/58/05/800695805.db2.gz SEVUUKKDLOHHJO-GOSISDBHSA-N 1 3 350.507 1.579 20 30 FDEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CCN(CCOC)CC1 ZINC000261684752 809533105 /nfs/dbraw/zinc/53/31/05/809533105.db2.gz HXIZCGZWHNIHNM-RCCFBDPRSA-N 1 3 364.534 1.610 20 30 FDEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000424139962 815316602 /nfs/dbraw/zinc/31/66/02/815316602.db2.gz ATKYGPYXGLKSAB-DOTOQJQBSA-N 1 3 357.458 1.344 20 30 FDEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000424139962 815316608 /nfs/dbraw/zinc/31/66/08/815316608.db2.gz ATKYGPYXGLKSAB-DOTOQJQBSA-N 1 3 357.458 1.344 20 30 FDEDHO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000261933647 811346782 /nfs/dbraw/zinc/34/67/82/811346782.db2.gz BWQRJCPALRZAFT-SJLPKXTDSA-N 1 3 371.533 1.704 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000419564717 812020101 /nfs/dbraw/zinc/02/01/01/812020101.db2.gz CUAJDMZIQMXZOP-WMZOPIPTSA-N 1 3 364.534 1.387 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])C(C)C ZINC000419572124 812026831 /nfs/dbraw/zinc/02/68/31/812026831.db2.gz QFMRDNQCVZRZLB-RCCFBDPRSA-N 1 3 364.534 1.387 20 30 FDEDHO C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030671 814258724 /nfs/dbraw/zinc/25/87/24/814258724.db2.gz ROSTWVFPHCZCOI-PXNSSMCTSA-N 1 3 369.513 1.845 20 30 FDEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CC[C@]2(CCOC2)C1 ZINC000261994319 817981951 /nfs/dbraw/zinc/98/19/51/817981951.db2.gz SAQWNGLJUWAWBP-IBGZPJMESA-N 1 3 364.534 1.709 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCOC3CCC3)[C@@H]2CC)CC1 ZINC001087840087 822558788 /nfs/dbraw/zinc/55/87/88/822558788.db2.gz HAGLBFJJWQBXRT-VQTJNVASSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC3CCC3)[C@@H]2CC)CC1 ZINC001087840087 822558790 /nfs/dbraw/zinc/55/87/90/822558790.db2.gz HAGLBFJJWQBXRT-VQTJNVASSA-N 1 3 361.530 1.870 20 30 FDEDHO CN(C)CCNC(=O)c1cccc(CNC(=[NH2+])NCCc2cccs2)c1 ZINC000303988358 827952228 /nfs/dbraw/zinc/95/22/28/827952228.db2.gz WNAVKYQMLOXPOD-UHFFFAOYSA-N 1 3 373.526 1.687 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000528431893 829400965 /nfs/dbraw/zinc/40/09/65/829400965.db2.gz NTHBTUZXIGEBFX-YZGWKJHDSA-N 1 3 372.513 1.256 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000528431893 829400966 /nfs/dbraw/zinc/40/09/66/829400966.db2.gz NTHBTUZXIGEBFX-YZGWKJHDSA-N 1 3 372.513 1.256 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105657373 842494271 /nfs/dbraw/zinc/49/42/71/842494271.db2.gz YNPMQTNDMUMVRI-HNBVOPMISA-N 1 3 360.502 1.885 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661374 842690779 /nfs/dbraw/zinc/69/07/79/842690779.db2.gz IEHMQYZPFWSWNK-IZBJGVDFSA-N 1 3 351.535 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(CC)c3)[C@@H]2C)CC1 ZINC001089059396 866384253 /nfs/dbraw/zinc/38/42/53/866384253.db2.gz KLPBCQJMORKSJS-XLIONFOSSA-N 1 3 371.529 1.370 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCc3cnn(CC)c3)[C@@H]2C)CC1 ZINC001089059396 866384278 /nfs/dbraw/zinc/38/42/78/866384278.db2.gz KLPBCQJMORKSJS-XLIONFOSSA-N 1 3 371.529 1.370 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672283 876513432 /nfs/dbraw/zinc/51/34/32/876513432.db2.gz NYGLCKSTLGFFDH-BRWVUGGUSA-N 1 3 366.550 1.339 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568368 905682698 /nfs/dbraw/zinc/68/26/98/905682698.db2.gz ZHDQWGZZHOTQPD-TZIWHRDSSA-N 1 3 361.530 1.729 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2C)CC1 ZINC001080997604 906970630 /nfs/dbraw/zinc/97/06/30/906970630.db2.gz GPTVWPBWACDBTM-BHIYHBOVSA-N 1 3 361.530 1.583 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2C)CC1 ZINC001080997604 906970635 /nfs/dbraw/zinc/97/06/35/906970635.db2.gz GPTVWPBWACDBTM-BHIYHBOVSA-N 1 3 361.530 1.583 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2C)CC1 ZINC001080997840 906972415 /nfs/dbraw/zinc/97/24/15/906972415.db2.gz MEZHJHCHDMZYQH-RHSMWYFYSA-N 1 3 353.457 1.813 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2C)CC1 ZINC001080997840 906972428 /nfs/dbraw/zinc/97/24/28/906972428.db2.gz MEZHJHCHDMZYQH-RHSMWYFYSA-N 1 3 353.457 1.813 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520835 908223528 /nfs/dbraw/zinc/22/35/28/908223528.db2.gz WHTLUOMCSWPXOB-OHDICMOHSA-N 1 3 370.497 1.844 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520835 908223534 /nfs/dbraw/zinc/22/35/34/908223534.db2.gz WHTLUOMCSWPXOB-OHDICMOHSA-N 1 3 370.497 1.844 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C)nc3C)C2)CC1 ZINC001082941452 911017277 /nfs/dbraw/zinc/01/72/77/911017277.db2.gz QPKSOUUDJWXDEY-IIBYNOLFSA-N 1 3 368.525 1.980 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)CC1 ZINC001082941503 911017333 /nfs/dbraw/zinc/01/73/33/911017333.db2.gz UOZMGABZIJXJCO-VQIMIIECSA-N 1 3 370.497 1.372 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672460 939971598 /nfs/dbraw/zinc/97/15/98/939971598.db2.gz PXCUTNJOPSEAOX-FUHWJXTLSA-N 1 3 361.534 1.858 20 30 FDEDHO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131605132 940775185 /nfs/dbraw/zinc/77/51/85/940775185.db2.gz YLGZGHDNXIBOLK-QUCCMNQESA-N 1 3 365.518 1.271 20 30 FDEDHO C[NH2+]CCCc1[nH]nc(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)c1C#N ZINC000809579368 940859084 /nfs/dbraw/zinc/85/90/84/940859084.db2.gz BOXXWCZRBMVKOH-CJNGLKHVSA-N 1 3 367.409 1.676 20 30 FDEDHO C=CCOC(=O)[C@@H](N)CCCCNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001171075140 947028881 /nfs/dbraw/zinc/02/88/81/947028881.db2.gz PKWTYXQVIYLTJW-KRWDZBQOSA-N 1 3 361.490 1.472 20 30 FDEDHO C#CCN1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC001147290969 952365468 /nfs/dbraw/zinc/36/54/68/952365468.db2.gz CFBOKURIUXUMRM-UHFFFAOYSA-N 1 3 360.546 1.350 20 30 FDEDHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ccccc1C#N ZINC001087101067 953271871 /nfs/dbraw/zinc/27/18/71/953271871.db2.gz RPRDFKFXORQOFN-XUVXKRRUSA-N 1 3 370.497 1.463 20 30 FDEDHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ccccc1C#N ZINC001087101067 953271873 /nfs/dbraw/zinc/27/18/73/953271873.db2.gz RPRDFKFXORQOFN-XUVXKRRUSA-N 1 3 370.497 1.463 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000636677841 1013187769 /nfs/dbraw/zinc/18/77/69/1013187769.db2.gz YUMMZWYSXJJZJY-GOSISDBHSA-N 1 3 362.518 1.276 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCOC)CC1 ZINC001110152430 959420561 /nfs/dbraw/zinc/42/05/61/959420561.db2.gz UIHQCBHXBPKOEK-AABGKKOBSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCOC)CC1 ZINC001110152430 959420567 /nfs/dbraw/zinc/42/05/67/959420567.db2.gz UIHQCBHXBPKOEK-AABGKKOBSA-N 1 3 361.530 1.870 20 30 FDEDHO CN1CCC(O)(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001182037091 961357333 /nfs/dbraw/zinc/35/73/33/961357333.db2.gz UMIZYUSFJFIQSQ-WGSAOQKQSA-N 1 3 370.497 1.613 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000854094096 968587772 /nfs/dbraw/zinc/58/77/72/968587772.db2.gz DMHKANCEUUAKGW-LJQANCHMSA-N 1 3 358.486 1.008 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000854094096 968587782 /nfs/dbraw/zinc/58/77/82/968587782.db2.gz DMHKANCEUUAKGW-LJQANCHMSA-N 1 3 358.486 1.008 20 30 FDEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193726823 969817756 /nfs/dbraw/zinc/81/77/56/969817756.db2.gz FODJEEFKOYRCJH-GUDVDZBRSA-N 1 3 351.535 1.872 20 30 FDEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193726823 969817766 /nfs/dbraw/zinc/81/77/66/969817766.db2.gz FODJEEFKOYRCJH-GUDVDZBRSA-N 1 3 351.535 1.872 20 30 FDEDHO C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371301441 990348456 /nfs/dbraw/zinc/34/84/56/990348456.db2.gz FVFYAEVYCUQTMB-FXAWDEMLSA-N 1 3 369.513 1.845 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000264068720 997395471 /nfs/dbraw/zinc/39/54/71/997395471.db2.gz CJZJUNLGJPNGPO-MSOLQXFVSA-N 1 3 373.501 1.693 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OC[C@H]1CCOC1 ZINC000287012961 999954061 /nfs/dbraw/zinc/95/40/61/999954061.db2.gz FWMCPPLLEXFEIY-RDJZCZTQSA-N 1 3 361.490 1.386 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867188 1009643207 /nfs/dbraw/zinc/64/32/07/1009643207.db2.gz CTKXAOQDPLVQRI-VQTJNVASSA-N 1 3 373.545 1.757 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)N1CCc2ccccc21 ZINC000304764666 1010489421 /nfs/dbraw/zinc/48/94/21/1010489421.db2.gz YITVXNZDLINRPZ-KRWDZBQOSA-N 1 3 357.502 1.745 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000553329866 543610658 /nfs/dbraw/zinc/61/06/58/543610658.db2.gz RVVMYVFHYFZLKF-LPHOPBHVSA-N 1 3 374.529 1.228 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000553329866 543610662 /nfs/dbraw/zinc/61/06/62/543610662.db2.gz RVVMYVFHYFZLKF-LPHOPBHVSA-N 1 3 374.529 1.228 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000089896885 524539690 /nfs/dbraw/zinc/53/96/90/524539690.db2.gz IAGODXNYNLOJJV-UXHICEINSA-N 1 3 372.513 1.571 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000179357128 525564339 /nfs/dbraw/zinc/56/43/39/525564339.db2.gz CGXOWZPIJLUJKX-UHFFFAOYSA-N 1 3 361.490 1.472 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000363860112 537347012 /nfs/dbraw/zinc/34/70/12/537347012.db2.gz GFWZTDWORDEALY-UHFFFAOYSA-N 1 3 360.546 1.208 20 30 FDEDHO COc1ccc(CCNC(=[NH2+])NCc2ccnc(OCCN(C)C)c2)cc1 ZINC000270535631 537351842 /nfs/dbraw/zinc/35/18/42/537351842.db2.gz AARNIZSZWNUKBY-UHFFFAOYSA-N 1 3 371.485 1.678 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000304931102 537598125 /nfs/dbraw/zinc/59/81/25/537598125.db2.gz CHKOWKHRBSNLOD-MRXNPFEDSA-N 1 3 357.462 1.165 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000483918182 538746376 /nfs/dbraw/zinc/74/63/76/538746376.db2.gz RCELZEBZZPLZOK-MRXNPFEDSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000483918182 538746385 /nfs/dbraw/zinc/74/63/85/538746385.db2.gz RCELZEBZZPLZOK-MRXNPFEDSA-N 1 3 364.534 1.380 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000561450429 545856161 /nfs/dbraw/zinc/85/61/61/545856161.db2.gz JXWYNKKLXKWXAF-SFHVURJKSA-N 1 3 364.534 1.476 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000561450429 545856167 /nfs/dbraw/zinc/85/61/67/545856167.db2.gz JXWYNKKLXKWXAF-SFHVURJKSA-N 1 3 364.534 1.476 20 30 FDEDHO CN1CCN(CCCNC(=O)[C@@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000565713669 547452640 /nfs/dbraw/zinc/45/26/40/547452640.db2.gz JFUAOWITKHCHLL-RBUKOAKNSA-N 1 3 357.502 1.503 20 30 FDEDHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000591736734 551904707 /nfs/dbraw/zinc/90/47/07/551904707.db2.gz MUFRPFVJXJAELE-HKUYNNGSSA-N 1 3 358.486 1.056 20 30 FDEDHO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2CCN(CC3CC3)CC2)nc1 ZINC000596066444 552651496 /nfs/dbraw/zinc/65/14/96/552651496.db2.gz DGIHNEDGAYWOIS-UHFFFAOYSA-N 1 3 362.499 1.439 20 30 FDEDHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000598540555 552907471 /nfs/dbraw/zinc/90/74/71/552907471.db2.gz PNMMLXVENMAFHB-RBUKOAKNSA-N 1 3 354.454 1.810 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000627371395 557375759 /nfs/dbraw/zinc/37/57/59/557375759.db2.gz DBAJPWFZERNYSE-IAGOWNOFSA-N 1 3 362.518 1.202 20 30 FDEDHO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262794525 672850322 /nfs/dbraw/zinc/85/03/22/672850322.db2.gz OXEMPFJODLBRQB-SJLPKXTDSA-N 1 3 351.564 1.335 20 30 FDEDHO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262805029 672850744 /nfs/dbraw/zinc/85/07/44/672850744.db2.gz RUSSAOLCZAYTNG-FUHWJXTLSA-N 1 3 353.580 1.559 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000303876845 676543509 /nfs/dbraw/zinc/54/35/09/676543509.db2.gz FBJFOCJLEGUCJM-HUUCEWRRSA-N 1 3 353.511 1.775 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(C)CCOCC3)CC2)CC1 ZINC000329041159 676617182 /nfs/dbraw/zinc/61/71/82/676617182.db2.gz OKDYMWLCGLTLNO-UHFFFAOYSA-N 1 3 352.523 1.865 20 30 FDEDHO CO[C@@H]1CCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329279627 676630544 /nfs/dbraw/zinc/63/05/44/676630544.db2.gz JYHSIYRANVYSPP-MAUKXSAKSA-N 1 3 352.523 1.864 20 30 FDEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481959 772043340 /nfs/dbraw/zinc/04/33/40/772043340.db2.gz ZIYJXTAPGXXLEO-UJRDFLTJSA-N 1 3 359.514 1.644 20 30 FDEDHO CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798139 790740154 /nfs/dbraw/zinc/74/01/54/790740154.db2.gz DAEDOJJTRHBKBC-GOSISDBHSA-N 1 3 361.534 1.429 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000636676493 806132468 /nfs/dbraw/zinc/13/24/68/806132468.db2.gz ITCSRLZGKXMXOM-SFHVURJKSA-N 1 3 362.518 1.276 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000636676493 806132475 /nfs/dbraw/zinc/13/24/75/806132475.db2.gz ITCSRLZGKXMXOM-SFHVURJKSA-N 1 3 362.518 1.276 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000636676493 806132486 /nfs/dbraw/zinc/13/24/86/806132486.db2.gz ITCSRLZGKXMXOM-SFHVURJKSA-N 1 3 362.518 1.276 20 30 FDEDHO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]2C)C1=O ZINC001104937847 794475807 /nfs/dbraw/zinc/47/58/07/794475807.db2.gz JLSFSVKOPLWULK-KURKYZTESA-N 1 3 364.534 1.189 20 30 FDEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000195522525 796224237 /nfs/dbraw/zinc/22/42/37/796224237.db2.gz KFBDRJHBVPAPIL-IBGZPJMESA-N 1 3 359.518 1.407 20 30 FDEDHO C=CC[C@@]1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000662757720 803073036 /nfs/dbraw/zinc/07/30/36/803073036.db2.gz LSBJRJBCTGDZCF-NRFANRHFSA-N 1 3 356.514 1.749 20 30 FDEDHO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000329303619 824725135 /nfs/dbraw/zinc/72/51/35/824725135.db2.gz NZGWAWIBAJSLIG-SFHVURJKSA-N 1 3 372.513 1.884 20 30 FDEDHO CN1CCN(c2cc(CNC(=O)N3CC[NH+](C4CCC4)CC3)ccn2)CC1 ZINC000329387229 824765877 /nfs/dbraw/zinc/76/58/77/824765877.db2.gz QVCTUHBKRXETDV-UHFFFAOYSA-N 1 3 372.517 1.418 20 30 FDEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001106775490 877743544 /nfs/dbraw/zinc/74/35/44/877743544.db2.gz KNDVWWBTKOMFFP-QZTJIDSGSA-N 1 3 366.550 1.485 20 30 FDEDHO C#CCN1CCC[C@@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000923576743 889917986 /nfs/dbraw/zinc/91/79/86/889917986.db2.gz PGYUVHPASHPMFS-HXUWFJFHSA-N 1 3 354.498 1.261 20 30 FDEDHO C=CCNCc1cccc(N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1 ZINC001128107612 896968262 /nfs/dbraw/zinc/96/82/62/896968262.db2.gz WAAXVBLXHNJVMW-CEXWTWQISA-N 1 3 371.529 1.782 20 30 FDEDHO C=CCNCc1cccc(N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)n1 ZINC001128107612 896968268 /nfs/dbraw/zinc/96/82/68/896968268.db2.gz WAAXVBLXHNJVMW-CEXWTWQISA-N 1 3 371.529 1.782 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150851 907263160 /nfs/dbraw/zinc/26/31/60/907263160.db2.gz GWSXBHWLLIZGEF-LZWWZHRGSA-N 1 3 367.493 1.620 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2OC)CC1 ZINC001082383154 907373315 /nfs/dbraw/zinc/37/33/15/907373315.db2.gz KOOHJIOZUABVSR-WOJBJXKFSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2OC)CC1 ZINC001082383154 907373331 /nfs/dbraw/zinc/37/33/31/907373331.db2.gz KOOHJIOZUABVSR-WOJBJXKFSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2c2ccccc2)CC1 ZINC001086625039 938509010 /nfs/dbraw/zinc/50/90/10/938509010.db2.gz HUELZLARBLXGNA-DZFGPLHGSA-N 1 3 369.509 1.297 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2c2ccccc2)CC1 ZINC001086625039 938509014 /nfs/dbraw/zinc/50/90/14/938509014.db2.gz HUELZLARBLXGNA-DZFGPLHGSA-N 1 3 369.509 1.297 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131132768 940512553 /nfs/dbraw/zinc/51/25/53/940512553.db2.gz QJUHGLYFGIBQMH-RTBURBONSA-N 1 3 371.529 1.594 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000636677842 1013187591 /nfs/dbraw/zinc/18/75/91/1013187591.db2.gz YUMMZWYSXJJZJY-SFHVURJKSA-N 1 3 362.518 1.276 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000876730933 992845498 /nfs/dbraw/zinc/84/54/98/992845498.db2.gz MHHPLLYOUNNQDF-CQSZACIVSA-N 1 3 355.866 1.722 20 30 FDEDHO CC[C@@H]1C[N@H+](Cc2cc(C#N)cc(CN3C[C@@H](CC)[C@H](O)C3)c2)C[C@@H]1O ZINC000878322070 993906598 /nfs/dbraw/zinc/90/65/98/993906598.db2.gz WFZNGDYGJBNVFQ-NCYKPQTJSA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cc(CN3C[C@@H](CC)[C@H](O)C3)c2)C[C@@H]1O ZINC000878322070 993906601 /nfs/dbraw/zinc/90/66/01/993906601.db2.gz WFZNGDYGJBNVFQ-NCYKPQTJSA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1CN(Cc2cc(C#N)cc(C[N@H+]3C[C@@H](CC)[C@H](O)C3)c2)C[C@@H]1O ZINC000878322070 993906607 /nfs/dbraw/zinc/90/66/07/993906607.db2.gz WFZNGDYGJBNVFQ-NCYKPQTJSA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1CN(Cc2cc(C#N)cc(C[N@@H+]3C[C@@H](CC)[C@H](O)C3)c2)C[C@@H]1O ZINC000878322070 993906609 /nfs/dbraw/zinc/90/66/09/993906609.db2.gz WFZNGDYGJBNVFQ-NCYKPQTJSA-N 1 3 357.498 1.964 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)ccc1N1CCOCC1 ZINC000267449772 999338744 /nfs/dbraw/zinc/33/87/44/999338744.db2.gz RCXXQJNLFDBIHU-KRWDZBQOSA-N 1 3 363.481 1.551 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000284210916 999780352 /nfs/dbraw/zinc/78/03/52/999780352.db2.gz WSHRFVPNVVVTCU-MSOLQXFVSA-N 1 3 364.534 1.211 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000284210916 999780354 /nfs/dbraw/zinc/78/03/54/999780354.db2.gz WSHRFVPNVVVTCU-MSOLQXFVSA-N 1 3 364.534 1.211 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652147135 1016769327 /nfs/dbraw/zinc/76/93/27/1016769327.db2.gz JPGDMZPZYJUGKA-JENIJYKNSA-N 1 3 364.534 1.955 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000305045621 1008607659 /nfs/dbraw/zinc/60/76/59/1008607659.db2.gz XTLYJYIKAHQGTQ-GFCCVEGCSA-N 1 3 370.400 1.905 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303788831 1009584148 /nfs/dbraw/zinc/58/41/48/1009584148.db2.gz UUESGEYBNBDNJE-IBGZPJMESA-N 1 3 359.518 1.407 20 30 FDEDHO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000530230457 539915507 /nfs/dbraw/zinc/91/55/07/539915507.db2.gz GFROHWRPMHGHCC-VQIMIIECSA-N 1 3 359.470 1.388 20 30 FDEDHO C[NH+]=C(NCC1(N(C)C)CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073181756 522486088 /nfs/dbraw/zinc/48/60/88/522486088.db2.gz NXESWHBBHOMJIG-UHFFFAOYSA-N 1 3 361.490 1.487 20 30 FDEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000129868218 525698826 /nfs/dbraw/zinc/69/88/26/525698826.db2.gz RKBZRMYWTSCXNA-LJQANCHMSA-N 1 3 357.502 1.845 20 30 FDEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000129868218 525698836 /nfs/dbraw/zinc/69/88/36/525698836.db2.gz RKBZRMYWTSCXNA-LJQANCHMSA-N 1 3 357.502 1.845 20 30 FDEDHO COc1ccccc1CNC(=[NH2+])NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000170913040 525768581 /nfs/dbraw/zinc/76/85/81/525768581.db2.gz AEBDHWNXBWQSSO-LJQANCHMSA-N 1 3 368.481 1.519 20 30 FDEDHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000247040088 537073759 /nfs/dbraw/zinc/07/37/59/537073759.db2.gz NMWCBXCADWXLJH-LJQANCHMSA-N 1 3 360.502 1.256 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(C)C ZINC000424125908 538242853 /nfs/dbraw/zinc/24/28/53/538242853.db2.gz AWTJNKBLTJHGRF-WMZOPIPTSA-N 1 3 360.506 1.631 20 30 FDEDHO C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000569450050 548921704 /nfs/dbraw/zinc/92/17/04/548921704.db2.gz YCPBCMIWJXPZMX-IBGZPJMESA-N 1 3 361.530 1.770 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1Br ZINC000577260755 550637398 /nfs/dbraw/zinc/63/73/98/550637398.db2.gz RPIGHYWGPFFHDK-UHFFFAOYSA-N 1 3 367.291 1.886 20 30 FDEDHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541735 551238874 /nfs/dbraw/zinc/23/88/74/551238874.db2.gz GQYSHSBXGBMYAT-PKOBYXMFSA-N 1 3 361.486 1.583 20 30 FDEDHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541735 551238875 /nfs/dbraw/zinc/23/88/75/551238875.db2.gz GQYSHSBXGBMYAT-PKOBYXMFSA-N 1 3 361.486 1.583 20 30 FDEDHO CN1CCN(CCOc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594437773 552309605 /nfs/dbraw/zinc/30/96/05/552309605.db2.gz FFWIDNREXNNXMG-LJQANCHMSA-N 1 3 373.501 1.663 20 30 FDEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000597942772 552848658 /nfs/dbraw/zinc/84/86/58/552848658.db2.gz OBXIWUALXHSMDD-LBPRGKRZSA-N 1 3 371.407 1.974 20 30 FDEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000597942772 552848660 /nfs/dbraw/zinc/84/86/60/552848660.db2.gz OBXIWUALXHSMDD-LBPRGKRZSA-N 1 3 371.407 1.974 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)nc1 ZINC000303894068 676543777 /nfs/dbraw/zinc/54/37/77/676543777.db2.gz OOYWNXJYZXVFOB-ZDUSSCGKSA-N 1 3 359.396 1.911 20 30 FDEDHO C=C(C)CCN1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244752 782709459 /nfs/dbraw/zinc/70/94/59/782709459.db2.gz INRSFGIGFGRKEJ-VQTJNVASSA-N 1 3 361.530 1.986 20 30 FDEDHO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974602688 799882005 /nfs/dbraw/zinc/88/20/05/799882005.db2.gz MSKWCSVYARJLCM-QRVBRYPASA-N 1 3 361.530 1.583 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000419564716 812020365 /nfs/dbraw/zinc/02/03/65/812020365.db2.gz CUAJDMZIQMXZOP-SJLPKXTDSA-N 1 3 364.534 1.387 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000419736768 812161032 /nfs/dbraw/zinc/16/10/32/812161032.db2.gz XHHDHHYFXNEGMD-WMZOPIPTSA-N 1 3 362.518 1.134 20 30 FDEDHO C=CCCN1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127488 885815606 /nfs/dbraw/zinc/81/56/06/885815606.db2.gz FELDQVYUEALLPB-SJORKVTESA-N 1 3 360.506 1.460 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243100 902340621 /nfs/dbraw/zinc/34/06/21/902340621.db2.gz LDUUQHKPKQSXNA-INDMIFKZSA-N 1 3 359.514 1.289 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243100 902340630 /nfs/dbraw/zinc/34/06/30/902340630.db2.gz LDUUQHKPKQSXNA-INDMIFKZSA-N 1 3 359.514 1.289 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)CC1 ZINC001085432652 924680101 /nfs/dbraw/zinc/68/01/01/924680101.db2.gz JHZLBOPTSMEHOD-WOJBJXKFSA-N 1 3 371.529 1.591 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672370 939971437 /nfs/dbraw/zinc/97/14/37/939971437.db2.gz OTYMTQOBZRFIMH-ZIFCJYIRSA-N 1 3 359.518 1.755 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070110 940484251 /nfs/dbraw/zinc/48/42/51/940484251.db2.gz GCOGBIWMOUTHFI-KZNAEPCWSA-N 1 3 359.518 1.612 20 30 FDEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679686 952624319 /nfs/dbraw/zinc/62/43/19/952624319.db2.gz JZPCWZPELHZVLN-JBPLPALLSA-N 1 3 373.541 1.537 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001086882570 952914388 /nfs/dbraw/zinc/91/43/88/952914388.db2.gz XYLIPVCHVCGHQI-QFBILLFUSA-N 1 3 357.502 1.140 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)cn3)C2)CC1 ZINC001086882574 952914508 /nfs/dbraw/zinc/91/45/08/952914508.db2.gz YBBKPWAJWXUPPC-PKOBYXMFSA-N 1 3 369.513 1.505 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2C)CC1 ZINC001093224421 957855868 /nfs/dbraw/zinc/85/58/68/957855868.db2.gz VTNKDVXPFDIARZ-GDBMZVCRSA-N 1 3 359.436 1.968 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2C)CC1 ZINC001093224421 957855876 /nfs/dbraw/zinc/85/58/76/957855876.db2.gz VTNKDVXPFDIARZ-GDBMZVCRSA-N 1 3 359.436 1.968 20 30 FDEDHO CN1CCN(Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)CC1 ZINC000884234162 983008040 /nfs/dbraw/zinc/00/80/40/983008040.db2.gz JZFQLKHVCTYHCB-WBTXTPOCSA-N 1 3 367.497 1.512 20 30 FDEDHO C=CCN1CCC(NC(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000369074071 989024322 /nfs/dbraw/zinc/02/43/22/989024322.db2.gz KUHQFAJXSMWEJT-UHFFFAOYSA-N 1 3 364.534 1.922 20 30 FDEDHO C#CC[N@@H+](C)CCCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000296610066 989325313 /nfs/dbraw/zinc/32/53/13/989325313.db2.gz XCIBANPNDGLDRM-KRWDZBQOSA-N 1 3 357.502 1.861 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000296610066 989325323 /nfs/dbraw/zinc/32/53/23/989325323.db2.gz XCIBANPNDGLDRM-KRWDZBQOSA-N 1 3 357.502 1.861 20 30 FDEDHO C#CCNC(=O)C1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878018953 993615344 /nfs/dbraw/zinc/61/53/44/993615344.db2.gz OJOJLZWWMTWDQZ-OAQYLSRUSA-N 1 3 355.482 1.085 20 30 FDEDHO C#CCNC(=O)C1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878018953 993615355 /nfs/dbraw/zinc/61/53/55/993615355.db2.gz OJOJLZWWMTWDQZ-OAQYLSRUSA-N 1 3 355.482 1.085 20 30 FDEDHO CCNC(=O)COc1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000264095971 997401743 /nfs/dbraw/zinc/40/17/43/997401743.db2.gz MQDRVVDJZLFQRQ-MRXNPFEDSA-N 1 3 361.490 1.090 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143488 997412810 /nfs/dbraw/zinc/41/28/10/997412810.db2.gz XDKLQNWJRKKMNB-IAGOWNOFSA-N 1 3 363.506 1.350 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652147137 1016768350 /nfs/dbraw/zinc/76/83/50/1016768350.db2.gz JPGDMZPZYJUGKA-SCTDSRPQSA-N 1 3 364.534 1.955 20 30 FDEDHO CC[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)N1CCCC1 ZINC000089120423 1006010204 /nfs/dbraw/zinc/01/02/04/1006010204.db2.gz DIFUEVIVPQEYOG-HZPDHXFCSA-N 1 3 365.522 1.741 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)C(C)C ZINC000642769870 1007890779 /nfs/dbraw/zinc/89/07/79/1007890779.db2.gz OVNSVUNWYLRPTC-KZNAEPCWSA-N 1 3 364.534 1.387 20 30 FDEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(OCC#N)cc4)C[C@H]32)CC[N@@H+]1C ZINC000959974841 1009239136 /nfs/dbraw/zinc/23/91/36/1009239136.db2.gz QSQWJTAVGHTHBQ-SBUWESJJSA-N 1 3 368.481 1.476 20 30 FDEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(OCC#N)cc4)C[C@H]32)CC[N@H+]1C ZINC000959974841 1009239146 /nfs/dbraw/zinc/23/91/46/1009239146.db2.gz QSQWJTAVGHTHBQ-SBUWESJJSA-N 1 3 368.481 1.476 20 30 FDEDHO CCOCCCNC(=[NH2+])NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000303882389 1009670787 /nfs/dbraw/zinc/67/07/87/1009670787.db2.gz HZTLHPHEUGAYAG-IBGZPJMESA-N 1 3 361.534 1.696 20 30 FDEDHO N#Cc1ccccc1OC[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528397659 539756105 /nfs/dbraw/zinc/75/61/05/539756105.db2.gz SUVDZXMTJKKILX-IBGZPJMESA-N 1 3 373.497 1.875 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000553329611 543610840 /nfs/dbraw/zinc/61/08/40/543610840.db2.gz KRHKSEPUEJFNRL-UHFFFAOYSA-N 1 3 364.534 1.525 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CC[NH+](CCC)CC2)CC1 ZINC000559462697 544695981 /nfs/dbraw/zinc/69/59/81/544695981.db2.gz KCEAQHRDSCJLMJ-UHFFFAOYSA-N 1 3 350.507 1.134 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000081767952 524181065 /nfs/dbraw/zinc/18/10/65/524181065.db2.gz CLEFYXFHUDRPRO-UHFFFAOYSA-N 1 3 369.509 1.605 20 30 FDEDHO C[C@H]1CN(CC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000131425620 525857134 /nfs/dbraw/zinc/85/71/34/525857134.db2.gz QJVPSPJNEXIVPG-IRXDYDNUSA-N 1 3 350.507 1.570 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000192178601 537221390 /nfs/dbraw/zinc/22/13/90/537221390.db2.gz GHUDSSSOULLRAI-UHFFFAOYSA-N 1 3 363.550 1.306 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000333356729 537348001 /nfs/dbraw/zinc/34/80/01/537348001.db2.gz KLHKLLDLXKUISD-RBUKOAKNSA-N 1 3 364.534 1.955 20 30 FDEDHO C=CCN1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000458348278 538589567 /nfs/dbraw/zinc/58/95/67/538589567.db2.gz YRKCXMVIBIMYTH-DFNIBXOVSA-N 1 3 364.534 1.920 20 30 FDEDHO C=CCN1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000458348278 538589576 /nfs/dbraw/zinc/58/95/76/538589576.db2.gz YRKCXMVIBIMYTH-DFNIBXOVSA-N 1 3 364.534 1.920 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000560797883 545607944 /nfs/dbraw/zinc/60/79/44/545607944.db2.gz WSBHFJMVZMJYRY-SFHVURJKSA-N 1 3 364.534 1.524 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000560797883 545607948 /nfs/dbraw/zinc/60/79/48/545607948.db2.gz WSBHFJMVZMJYRY-SFHVURJKSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000561451042 545856907 /nfs/dbraw/zinc/85/69/07/545856907.db2.gz ZYZZKWVROKOQSJ-DOTOQJQBSA-N 1 3 350.507 1.084 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000561451042 545856909 /nfs/dbraw/zinc/85/69/09/545856909.db2.gz ZYZZKWVROKOQSJ-DOTOQJQBSA-N 1 3 350.507 1.084 20 30 FDEDHO Cn1ccnc1[C@@H]1CC[N@@H+](CC#CCN2CC[C@H](c3nccn3C)C2)C1 ZINC000577622446 550676644 /nfs/dbraw/zinc/67/66/44/550676644.db2.gz ZAMWTJOZDQMMDT-HDICACEKSA-N 1 3 352.486 1.436 20 30 FDEDHO Cn1ccnc1[C@@H]1CC[N@H+](CC#CCN2CC[C@H](c3nccn3C)C2)C1 ZINC000577622446 550676646 /nfs/dbraw/zinc/67/66/46/550676646.db2.gz ZAMWTJOZDQMMDT-HDICACEKSA-N 1 3 352.486 1.436 20 30 FDEDHO Cn1ccnc1[C@@H]1CCN(CC#CC[N@@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000577622446 550676648 /nfs/dbraw/zinc/67/66/48/550676648.db2.gz ZAMWTJOZDQMMDT-HDICACEKSA-N 1 3 352.486 1.436 20 30 FDEDHO Cn1ccnc1[C@@H]1CCN(CC#CC[N@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000577622446 550676649 /nfs/dbraw/zinc/67/66/49/550676649.db2.gz ZAMWTJOZDQMMDT-HDICACEKSA-N 1 3 352.486 1.436 20 30 FDEDHO C[C@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580183183 550951860 /nfs/dbraw/zinc/95/18/60/550951860.db2.gz WXIRSVUHXYBMOO-INIZCTEOSA-N 1 3 364.515 1.971 20 30 FDEDHO C[C@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580183183 550951862 /nfs/dbraw/zinc/95/18/62/550951862.db2.gz WXIRSVUHXYBMOO-INIZCTEOSA-N 1 3 364.515 1.971 20 30 FDEDHO N#CCCC[C@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000583022471 551292566 /nfs/dbraw/zinc/29/25/66/551292566.db2.gz NFZDRHGBPSJUKC-IBGZPJMESA-N 1 3 357.502 1.332 20 30 FDEDHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611373743 554629567 /nfs/dbraw/zinc/62/95/67/554629567.db2.gz QJBYFIPNWGYKEO-HXUWFJFHSA-N 1 3 374.529 1.450 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cn1 ZINC000305093996 676544870 /nfs/dbraw/zinc/54/48/70/676544870.db2.gz QYVIUUBAHNXMII-CYBMUJFWSA-N 1 3 359.396 1.868 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472615 676868462 /nfs/dbraw/zinc/86/84/62/676868462.db2.gz LTKWTTUYLDRSCD-MJGOQNOKSA-N 1 3 350.551 1.900 20 30 FDEDHO C=CCNC(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266888 678501088 /nfs/dbraw/zinc/50/10/88/678501088.db2.gz MWZIPZZOTWQTAK-KRWDZBQOSA-N 1 3 350.551 1.805 20 30 FDEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000520791759 690356163 /nfs/dbraw/zinc/35/61/63/690356163.db2.gz BKVMIPWVXTXRSV-UHFFFAOYSA-N 1 3 352.523 1.825 20 30 FDEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481957 772043572 /nfs/dbraw/zinc/04/35/72/772043572.db2.gz ZIYJXTAPGXXLEO-KBGGIIEESA-N 1 3 359.514 1.644 20 30 FDEDHO CN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798140 790740484 /nfs/dbraw/zinc/74/04/84/790740484.db2.gz DAEDOJJTRHBKBC-SFHVURJKSA-N 1 3 361.534 1.429 20 30 FDEDHO C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030672 814258479 /nfs/dbraw/zinc/25/84/79/814258479.db2.gz ROSTWVFPHCZCOI-XLIONFOSSA-N 1 3 369.513 1.845 20 30 FDEDHO C[NH+]=C(NCCc1nnc2n1CCCCC2)N1CC[C@H](N2CCCCC2)C1 ZINC000262454207 826983504 /nfs/dbraw/zinc/98/35/04/826983504.db2.gz KQHICFQZFVCKRQ-KRWDZBQOSA-N 1 3 373.549 1.683 20 30 FDEDHO CC[NH+]=C(NCC1(N2CCC(OC)CC2)CCCC1)N1CCC(O)CC1 ZINC000262807925 831522066 /nfs/dbraw/zinc/52/20/66/831522066.db2.gz UFZWSJILHWMRBO-UHFFFAOYSA-N 1 3 366.550 1.832 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C(C)C ZINC000911204153 858308746 /nfs/dbraw/zinc/30/87/46/858308746.db2.gz VJTAXLLUGAFPOF-PXNSSMCTSA-N 1 3 362.518 1.156 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccn(CCC#N)n3)CC2)CC1 ZINC000330143362 887593596 /nfs/dbraw/zinc/59/35/96/887593596.db2.gz YUXWCDUXROKJGV-UHFFFAOYSA-N 1 3 359.478 1.681 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2O)CC1 ZINC001084090285 913372535 /nfs/dbraw/zinc/37/25/35/913372535.db2.gz SJRHDWXZHGUFFL-UXHICEINSA-N 1 3 359.514 1.383 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2O)CC1 ZINC001084090285 913372539 /nfs/dbraw/zinc/37/25/39/913372539.db2.gz SJRHDWXZHGUFFL-UXHICEINSA-N 1 3 359.514 1.383 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107409205 904769454 /nfs/dbraw/zinc/76/94/54/904769454.db2.gz LBRUMKIPEYEWLE-SFHLNBCPSA-N 1 3 359.514 1.339 20 30 FDEDHO CC[C@@H]1[C@@H](C(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)CC[N@@H+]1C ZINC000996775569 905311377 /nfs/dbraw/zinc/31/13/77/905311377.db2.gz GKNNZLFSVQSOII-WZOJCFFYSA-N 1 3 361.534 1.285 20 30 FDEDHO CC[C@@H]1[C@@H](C(=O)NC2CCC(N3CCN(CC#N)CC3)CC2)CC[N@H+]1C ZINC000996775569 905311397 /nfs/dbraw/zinc/31/13/97/905311397.db2.gz GKNNZLFSVQSOII-WZOJCFFYSA-N 1 3 361.534 1.285 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082515795 908187573 /nfs/dbraw/zinc/18/75/73/908187573.db2.gz ZBXSUBRIIAZVJA-HEFCMCLBSA-N 1 3 370.472 1.976 20 30 FDEDHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001082742038 909943712 /nfs/dbraw/zinc/94/37/12/909943712.db2.gz OHHNTDIALMKBRV-SPYBWZPUSA-N 1 3 358.461 1.976 20 30 FDEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993106 919366950 /nfs/dbraw/zinc/36/69/50/919366950.db2.gz MEMZUEVTYGGYHZ-TUKJNDCMSA-N 1 3 359.514 1.739 20 30 FDEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993106 919366970 /nfs/dbraw/zinc/36/69/70/919366970.db2.gz MEMZUEVTYGGYHZ-TUKJNDCMSA-N 1 3 359.514 1.739 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1n1ccnn1 ZINC001129970524 938588202 /nfs/dbraw/zinc/58/82/02/938588202.db2.gz RKQHPUQSMFLTEP-SJORKVTESA-N 1 3 360.506 1.460 20 30 FDEDHO C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001130305308 938803745 /nfs/dbraw/zinc/80/37/45/938803745.db2.gz SDODQJHSRRVJSR-XLIONFOSSA-N 1 3 364.534 1.380 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1c1cncn1C ZINC001131081973 940487823 /nfs/dbraw/zinc/48/78/23/940487823.db2.gz GSYQJXKHIMGJQS-GUDVDZBRSA-N 1 3 371.529 1.590 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131074179 940490426 /nfs/dbraw/zinc/49/04/26/940490426.db2.gz XPCMRKUHELFBLH-IAGOWNOFSA-N 1 3 361.534 1.858 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087011008 953102822 /nfs/dbraw/zinc/10/28/22/953102822.db2.gz AIPUKXRACKONFP-IPMKNSEASA-N 1 3 357.502 1.058 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC001093221662 957849616 /nfs/dbraw/zinc/84/96/16/957849616.db2.gz AUYDGFFYDIDNIJ-IEBWSBKVSA-N 1 3 354.498 1.611 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC001093221662 957849622 /nfs/dbraw/zinc/84/96/22/957849622.db2.gz AUYDGFFYDIDNIJ-IEBWSBKVSA-N 1 3 354.498 1.611 20 30 FDEDHO C=CCN(CC=C)CCN1CCN(C2CC[NH+](CCCOC)CC2)CC1 ZINC001172253761 961602976 /nfs/dbraw/zinc/60/29/76/961602976.db2.gz AUNGTPCPAZHUQY-UHFFFAOYSA-N 1 3 364.578 1.779 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884206619 982982407 /nfs/dbraw/zinc/98/24/07/982982407.db2.gz ZRBFYLWGVOQXSF-PPAWOBCPSA-N 1 3 373.545 1.143 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884206619 982982410 /nfs/dbraw/zinc/98/24/10/982982410.db2.gz ZRBFYLWGVOQXSF-PPAWOBCPSA-N 1 3 373.545 1.143 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000366040953 988327260 /nfs/dbraw/zinc/32/72/60/988327260.db2.gz XISOSOGFIGAFII-KRWDZBQOSA-N 1 3 364.534 1.922 20 30 FDEDHO N#Cc1ccc(OC[C@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173953396 258315408 /nfs/dbraw/zinc/31/54/08/258315408.db2.gz VVAQKJLYSZFDMR-LJQANCHMSA-N 1 3 373.497 1.875 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000553732353 543688123 /nfs/dbraw/zinc/68/81/23/543688123.db2.gz BILGVYLDWZKZER-UHFFFAOYSA-N 1 3 364.534 1.381 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000333356727 537347763 /nfs/dbraw/zinc/34/77/63/537347763.db2.gz KLHKLLDLXKUISD-MOPGFXCFSA-N 1 3 364.534 1.955 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997968 537598225 /nfs/dbraw/zinc/59/82/25/537598225.db2.gz AQEGLZWOELPQGL-MOPGFXCFSA-N 1 3 371.529 1.466 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000417518052 538044968 /nfs/dbraw/zinc/04/49/68/538044968.db2.gz ANHWOIZTXDJDCB-KRWDZBQOSA-N 1 3 365.522 1.056 20 30 FDEDHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000571795453 549766204 /nfs/dbraw/zinc/76/62/04/549766204.db2.gz ZNOSMBJYZXIFSG-LJQANCHMSA-N 1 3 357.502 1.461 20 30 FDEDHO Cn1ccnc1[C@H]1CCN(CC#CC[N@@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000577622448 550676791 /nfs/dbraw/zinc/67/67/91/550676791.db2.gz ZAMWTJOZDQMMDT-ROUUACIJSA-N 1 3 352.486 1.436 20 30 FDEDHO Cn1ccnc1[C@H]1CCN(CC#CC[N@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000577622448 550676792 /nfs/dbraw/zinc/67/67/92/550676792.db2.gz ZAMWTJOZDQMMDT-ROUUACIJSA-N 1 3 352.486 1.436 20 30 FDEDHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541728 551238718 /nfs/dbraw/zinc/23/87/18/551238718.db2.gz GQYSHSBXGBMYAT-HKUYNNGSSA-N 1 3 361.486 1.583 20 30 FDEDHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541728 551238721 /nfs/dbraw/zinc/23/87/21/551238721.db2.gz GQYSHSBXGBMYAT-HKUYNNGSSA-N 1 3 361.486 1.583 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC[C@@H]3C#N)CC2)CC1 ZINC000582914079 551280913 /nfs/dbraw/zinc/28/09/13/551280913.db2.gz AKXXBMQIDAMQOR-KRWDZBQOSA-N 1 3 350.532 1.650 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)N(CCC#N)CCOC)CC2)CC1 ZINC000594272465 552275563 /nfs/dbraw/zinc/27/55/63/552275563.db2.gz HMZUMTKWVJXFEP-UHFFFAOYSA-N 1 3 350.507 1.571 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000598451066 552896785 /nfs/dbraw/zinc/89/67/85/552896785.db2.gz MTYYJMXJFOXTHU-PKOBYXMFSA-N 1 3 352.438 1.298 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000598451066 552896787 /nfs/dbraw/zinc/89/67/87/552896787.db2.gz MTYYJMXJFOXTHU-PKOBYXMFSA-N 1 3 352.438 1.298 20 30 FDEDHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599336704 553031102 /nfs/dbraw/zinc/03/11/02/553031102.db2.gz MWXLTILLPCNAJJ-SFHVURJKSA-N 1 3 352.523 1.016 20 30 FDEDHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599336704 553031104 /nfs/dbraw/zinc/03/11/04/553031104.db2.gz MWXLTILLPCNAJJ-SFHVURJKSA-N 1 3 352.523 1.016 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000627371376 557375315 /nfs/dbraw/zinc/37/53/15/557375315.db2.gz COLFGJDCBGIYCJ-BRWVUGGUSA-N 1 3 350.507 1.058 20 30 FDEDHO CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)N1CCOCC1 ZINC000303790334 676543105 /nfs/dbraw/zinc/54/31/05/676543105.db2.gz WBWJMVGDCKAXNH-MSOLQXFVSA-N 1 3 353.555 1.512 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000370295955 677561991 /nfs/dbraw/zinc/56/19/91/677561991.db2.gz AYFZZTHCBKQUSI-ROUUACIJSA-N 1 3 350.507 1.268 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000370295955 677561994 /nfs/dbraw/zinc/56/19/94/677561994.db2.gz AYFZZTHCBKQUSI-ROUUACIJSA-N 1 3 350.507 1.268 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)C(C)C ZINC000419578140 680282352 /nfs/dbraw/zinc/28/23/52/680282352.db2.gz ZSHCBWPHYJDRAX-OFLPRAFFSA-N 1 3 350.507 1.187 20 30 FDEDHO CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375833856 785078348 /nfs/dbraw/zinc/07/83/48/785078348.db2.gz VNLRQDPIIGPAOT-WOJBJXKFSA-N 1 3 372.513 1.398 20 30 FDEDHO CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375833856 785078349 /nfs/dbraw/zinc/07/83/49/785078349.db2.gz VNLRQDPIIGPAOT-WOJBJXKFSA-N 1 3 372.513 1.398 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000419566809 812021800 /nfs/dbraw/zinc/02/18/00/812021800.db2.gz GZKKHMABBCTBCG-FXAWDEMLSA-N 1 3 362.518 1.013 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000419734666 812124685 /nfs/dbraw/zinc/12/46/85/812124685.db2.gz VOZCSXZPLLICFC-IBGZPJMESA-N 1 3 372.513 1.693 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000419734666 812124687 /nfs/dbraw/zinc/12/46/87/812124687.db2.gz VOZCSXZPLLICFC-IBGZPJMESA-N 1 3 372.513 1.693 20 30 FDEDHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1CC ZINC001087575973 821578844 /nfs/dbraw/zinc/57/88/44/821578844.db2.gz GMSKWARUWPNOIC-WCIQWLHISA-N 1 3 361.530 1.726 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCCOC3)[C@@H]2CC)CC1 ZINC001087840078 822558725 /nfs/dbraw/zinc/55/87/25/822558725.db2.gz GUJSHTOYBVOBBU-YSIASYRMSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCCOC3)[C@@H]2CC)CC1 ZINC001087840078 822558727 /nfs/dbraw/zinc/55/87/27/822558727.db2.gz GUJSHTOYBVOBBU-YSIASYRMSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2CC)CC1 ZINC001087840195 822559034 /nfs/dbraw/zinc/55/90/34/822559034.db2.gz LRYHRKDECJGERX-VQTJNVASSA-N 1 3 371.529 1.277 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@@H]2CC)CC1 ZINC001087840195 822559037 /nfs/dbraw/zinc/55/90/37/822559037.db2.gz LRYHRKDECJGERX-VQTJNVASSA-N 1 3 371.529 1.277 20 30 FDEDHO COCC[C@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329791843 825458875 /nfs/dbraw/zinc/45/88/75/825458875.db2.gz DZUPBEOARXGPTB-SFHVURJKSA-N 1 3 368.522 1.196 20 30 FDEDHO [O-]C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329898675 825530273 /nfs/dbraw/zinc/53/02/73/825530273.db2.gz DYXQBVKMJLJMLO-UAGQMJEPSA-N 1 3 361.490 1.327 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000529309874 829816883 /nfs/dbraw/zinc/81/68/83/829816883.db2.gz YTMIQLBMYHQZMT-LJQANCHMSA-N 1 3 364.534 1.827 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672775 845214045 /nfs/dbraw/zinc/21/40/45/845214045.db2.gz DGPYXOGLRRXPTP-IZBJGVDFSA-N 1 3 351.535 1.869 20 30 FDEDHO C#CCN(C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452237 852901448 /nfs/dbraw/zinc/90/14/48/852901448.db2.gz NNRUYBGCXXDIOB-RBUKOAKNSA-N 1 3 357.502 1.011 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CCN(CC)C2)CC1 ZINC000668843385 857697035 /nfs/dbraw/zinc/69/70/35/857697035.db2.gz PVXSTCWVZKJTKZ-KRWDZBQOSA-N 1 3 350.507 1.086 20 30 FDEDHO CSCCC[NH+]=C(NC[C@H](C)CN1CCN(C)CC1)NC(C)(C)C ZINC000912508175 859832699 /nfs/dbraw/zinc/83/26/99/859832699.db2.gz ITFOKOIWTWBNKU-INIZCTEOSA-N 1 3 357.612 1.957 20 30 FDEDHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106775495 877742913 /nfs/dbraw/zinc/74/29/13/877742913.db2.gz KVWKUBINPXUIBB-RTBURBONSA-N 1 3 351.535 1.832 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)CC[NH+]3CCCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274336 902356652 /nfs/dbraw/zinc/35/66/52/902356652.db2.gz OFZRHQKUMGVMOL-RBUKOAKNSA-N 1 3 359.514 1.435 20 30 FDEDHO C=CCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081683687 904932865 /nfs/dbraw/zinc/93/28/65/904932865.db2.gz HDFLIJDTKHXSJA-MKXGPGLRSA-N 1 3 365.518 1.125 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107443027 904940606 /nfs/dbraw/zinc/94/06/06/904940606.db2.gz VIZIPNICENLDDN-SFHLNBCPSA-N 1 3 361.530 1.871 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107443027 904940608 /nfs/dbraw/zinc/94/06/08/904940608.db2.gz VIZIPNICENLDDN-SFHLNBCPSA-N 1 3 361.530 1.871 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112567872 931646064 /nfs/dbraw/zinc/64/60/64/931646064.db2.gz MCZPONDKSBKJCE-UWVAXJGDSA-N 1 3 364.534 1.237 20 30 FDEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588278 933608114 /nfs/dbraw/zinc/60/81/14/933608114.db2.gz NHUDKZHDQCLNGW-PWRODBHTSA-N 1 3 351.494 1.936 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602522 939914271 /nfs/dbraw/zinc/91/42/71/939914271.db2.gz GDCPKNUDUHCPPZ-LZLYRXPVSA-N 1 3 365.497 1.560 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131127941 940509919 /nfs/dbraw/zinc/50/99/19/940509919.db2.gz NCQKMXKACNLQBX-QZTJIDSGSA-N 1 3 357.502 1.203 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090879520 947575546 /nfs/dbraw/zinc/57/55/46/947575546.db2.gz NEQNKYBZNIYMLK-BVPXEZJJSA-N 1 3 369.509 1.943 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090879520 947575556 /nfs/dbraw/zinc/57/55/56/947575556.db2.gz NEQNKYBZNIYMLK-BVPXEZJJSA-N 1 3 369.509 1.943 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccns3)C2)CC1 ZINC001086882244 952913967 /nfs/dbraw/zinc/91/39/67/952913967.db2.gz IFHMEJNJWDSHCH-DOTOQJQBSA-N 1 3 360.527 1.863 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCCCO3)C2)CC1 ZINC001086882431 952914448 /nfs/dbraw/zinc/91/44/48/952914448.db2.gz QGRTVKBTUSYMIM-DFQSSKMNSA-N 1 3 361.530 1.775 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cnn(C)c1 ZINC001086996740 953038732 /nfs/dbraw/zinc/03/87/32/953038732.db2.gz SKXULFRIYHWFPG-ZWKOTPCHSA-N 1 3 359.518 1.612 20 30 FDEDHO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276056 954670614 /nfs/dbraw/zinc/67/06/14/954670614.db2.gz BCKHHPUWFFQRDB-KYJSFNMBSA-N 1 3 355.910 1.488 20 30 FDEDHO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000876784488 992912207 /nfs/dbraw/zinc/91/22/07/992912207.db2.gz HLVJEQYHWDAAQQ-KRWDZBQOSA-N 1 3 366.893 1.721 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000264114005 997404253 /nfs/dbraw/zinc/40/42/53/997404253.db2.gz PNMMQGJHENIHCL-RDJZCZTQSA-N 1 3 360.506 1.195 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405534 999554122 /nfs/dbraw/zinc/55/41/22/999554122.db2.gz GNQZTYYPASNKFS-ZWKOTPCHSA-N 1 3 357.502 1.424 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000284883841 999877983 /nfs/dbraw/zinc/87/79/83/999877983.db2.gz GRIZXKFMSUFGAK-UHFFFAOYSA-N 1 3 372.513 1.521 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000284883841 999877984 /nfs/dbraw/zinc/87/79/84/999877984.db2.gz GRIZXKFMSUFGAK-UHFFFAOYSA-N 1 3 372.513 1.521 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)C3(C#N)CCSCC3)CC2)CC1 ZINC000931216368 1003967130 /nfs/dbraw/zinc/96/71/30/1003967130.db2.gz GDOVMLWTSMRKFC-UHFFFAOYSA-N 1 3 350.532 1.698 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000303889887 1009676749 /nfs/dbraw/zinc/67/67/49/1009676749.db2.gz MGOPOKLGSHEINI-SOLBZPMBSA-N 1 3 374.533 1.584 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000303906170 1009688161 /nfs/dbraw/zinc/68/81/61/1009688161.db2.gz ZTJCCKFMHULUOU-MRXNPFEDSA-N 1 3 363.481 1.551 20 30 FDEDHO N#Cc1ccccc1OC[C@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528397668 539755750 /nfs/dbraw/zinc/75/57/50/539755750.db2.gz SUVDZXMTJKKILX-LJQANCHMSA-N 1 3 373.497 1.875 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000553326843 543609889 /nfs/dbraw/zinc/60/98/89/543609889.db2.gz GLFWVYBGUYKFLD-DOTOQJQBSA-N 1 3 350.507 1.084 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000553326843 543609890 /nfs/dbraw/zinc/60/98/90/543609890.db2.gz GLFWVYBGUYKFLD-DOTOQJQBSA-N 1 3 350.507 1.084 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000368417929 260180468 /nfs/dbraw/zinc/18/04/68/260180468.db2.gz VFJXWIUXFFHSGV-FRTACKCFSA-N 1 3 373.497 1.777 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000368417929 260180470 /nfs/dbraw/zinc/18/04/70/260180470.db2.gz VFJXWIUXFFHSGV-FRTACKCFSA-N 1 3 373.497 1.777 20 30 FDEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000067202763 523356821 /nfs/dbraw/zinc/35/68/21/523356821.db2.gz XMPZUPXJSHOCMI-UHFFFAOYSA-N 1 3 352.482 1.794 20 30 FDEDHO CN(CCC(=O)Nc1sccc1C#N)CC[N@H+](C)C1CCN(C)CC1 ZINC000180935431 525777996 /nfs/dbraw/zinc/77/79/96/525777996.db2.gz LSFJPFQOZJYDIT-UHFFFAOYSA-N 1 3 363.531 1.906 20 30 FDEDHO CN(CCC(=O)Nc1sccc1C#N)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180935431 525778005 /nfs/dbraw/zinc/77/80/05/525778005.db2.gz LSFJPFQOZJYDIT-UHFFFAOYSA-N 1 3 363.531 1.906 20 30 FDEDHO CN(C)[C@@]1(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCSC1 ZINC000330230229 537653167 /nfs/dbraw/zinc/65/31/67/537653167.db2.gz WKKHSTPAJLRGHD-QGZVFWFLSA-N 1 3 366.535 1.913 20 30 FDEDHO C=CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000414992999 537953492 /nfs/dbraw/zinc/95/34/92/537953492.db2.gz SKQKFAQUZDYYDK-UTKZUKDTSA-N 1 3 373.497 1.996 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417073534 537997830 /nfs/dbraw/zinc/99/78/30/537997830.db2.gz YAQUHXLBRBXWEG-RTBURBONSA-N 1 3 363.550 1.374 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000569442557 548918034 /nfs/dbraw/zinc/91/80/34/548918034.db2.gz VRPXHNRSYRXEEX-UHFFFAOYSA-N 1 3 364.534 1.381 20 30 FDEDHO N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000569921198 549095240 /nfs/dbraw/zinc/09/52/40/549095240.db2.gz OIRKPMJSHMRHQC-IEBWSBKVSA-N 1 3 359.470 1.388 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000572584986 549947883 /nfs/dbraw/zinc/94/78/83/549947883.db2.gz VZUWEBFBIOOAOE-UHFFFAOYSA-N 1 3 364.534 1.381 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000583221551 551321495 /nfs/dbraw/zinc/32/14/95/551321495.db2.gz YNVGQHLOBBPZOM-KRWDZBQOSA-N 1 3 366.550 1.626 20 30 FDEDHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600720543 553307115 /nfs/dbraw/zinc/30/71/15/553307115.db2.gz ZKHGBPJGTOZWLA-FQEVSTJZSA-N 1 3 356.514 1.968 20 30 FDEDHO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000609166857 554345700 /nfs/dbraw/zinc/34/57/00/554345700.db2.gz GGCLMLDZDYEMDI-LJQANCHMSA-N 1 3 357.502 1.988 20 30 FDEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000073629448 671402966 /nfs/dbraw/zinc/40/29/66/671402966.db2.gz JSOSVZPWRJUUAS-KXBFYZLASA-N 1 3 352.523 1.957 20 30 FDEDHO C[NH+]=C(NC[C@H]1CCCN(C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261968295 672704284 /nfs/dbraw/zinc/70/42/84/672704284.db2.gz MAJKXKWNAQYNAS-OAHLLOKOSA-N 1 3 358.552 1.191 20 30 FDEDHO CC[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)NC1CCN(C(C)=O)CC1 ZINC000262191177 672743680 /nfs/dbraw/zinc/74/36/80/672743680.db2.gz GADBHMXGTMDBHO-HOTGVXAUSA-N 1 3 351.539 1.815 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000303971859 676543941 /nfs/dbraw/zinc/54/39/41/676543941.db2.gz FFJAOXBPADMRAV-HNNXBMFYSA-N 1 3 353.511 1.775 20 30 FDEDHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000469793325 684986317 /nfs/dbraw/zinc/98/63/17/684986317.db2.gz CXOWDEPZVBZNLX-ULQDDVLXSA-N 1 3 350.507 1.664 20 30 FDEDHO C=CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)COC ZINC000663876419 809972191 /nfs/dbraw/zinc/97/21/91/809972191.db2.gz GHTQGUYOBIIBDI-INIZCTEOSA-N 1 3 352.523 1.778 20 30 FDEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047150 825590368 /nfs/dbraw/zinc/59/03/68/825590368.db2.gz IPRUKTCUSSCDCO-TUKJNDCMSA-N 1 3 359.514 1.596 20 30 FDEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047150 825590370 /nfs/dbraw/zinc/59/03/70/825590370.db2.gz IPRUKTCUSSCDCO-TUKJNDCMSA-N 1 3 359.514 1.596 20 30 FDEDHO C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)N(C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105641866 842307185 /nfs/dbraw/zinc/30/71/85/842307185.db2.gz FJMOTEDJLSBQGO-PDOICOKGSA-N 1 3 351.535 1.869 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105676280 845886017 /nfs/dbraw/zinc/88/60/17/845886017.db2.gz VDQGICHYKAISMG-JYBIWHBTSA-N 1 3 351.535 1.869 20 30 FDEDHO C#CCN(C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452235 852901397 /nfs/dbraw/zinc/90/13/97/852901397.db2.gz NNRUYBGCXXDIOB-MOPGFXCFSA-N 1 3 357.502 1.011 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668835882 857528826 /nfs/dbraw/zinc/52/88/26/857528826.db2.gz LPHRSMKWHNTHGW-KRWDZBQOSA-N 1 3 362.518 1.276 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668835882 857528836 /nfs/dbraw/zinc/52/88/36/857528836.db2.gz LPHRSMKWHNTHGW-KRWDZBQOSA-N 1 3 362.518 1.276 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080779341 906242884 /nfs/dbraw/zinc/24/28/84/906242884.db2.gz KMUQSZCSYRJIDQ-YVWKXTFCSA-N 1 3 370.497 1.867 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080779341 906242902 /nfs/dbraw/zinc/24/29/02/906242902.db2.gz KMUQSZCSYRJIDQ-YVWKXTFCSA-N 1 3 370.497 1.867 20 30 FDEDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1C#N ZINC001082740776 909936800 /nfs/dbraw/zinc/93/68/00/909936800.db2.gz GGNBLSHPKXKTMO-GPMSIDNRSA-N 1 3 370.497 1.988 20 30 FDEDHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092956 920811786 /nfs/dbraw/zinc/81/17/86/920811786.db2.gz XRQYRBIKNQGDFZ-AABGKKOBSA-N 1 3 352.482 1.933 20 30 FDEDHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092956 920811805 /nfs/dbraw/zinc/81/18/05/920811805.db2.gz XRQYRBIKNQGDFZ-AABGKKOBSA-N 1 3 352.482 1.933 20 30 FDEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001130304828 938803039 /nfs/dbraw/zinc/80/30/39/938803039.db2.gz BKVMGZCQLGTNMQ-NZSAHSFTSA-N 1 3 364.534 1.234 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607711 939919336 /nfs/dbraw/zinc/91/93/36/939919336.db2.gz LHTYCKUDWXWVQP-PKOBYXMFSA-N 1 3 359.518 1.755 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001131096715 940497363 /nfs/dbraw/zinc/49/73/63/940497363.db2.gz MCDKSGQLHCAQFP-QZTJIDSGSA-N 1 3 359.518 1.612 20 30 FDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131130336 940510981 /nfs/dbraw/zinc/51/09/81/940510981.db2.gz HARSAGVACOFZQK-KZNAEPCWSA-N 1 3 361.534 1.999 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1ccc(OC)cc1 ZINC001090875504 947493420 /nfs/dbraw/zinc/49/34/20/947493420.db2.gz WZRYSSYUHBXECX-VQTJNVASSA-N 1 3 367.493 1.841 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccn3)C2)CC1 ZINC001086882335 952913906 /nfs/dbraw/zinc/91/39/06/952913906.db2.gz MOROQXAXMFWNBF-PKOBYXMFSA-N 1 3 354.498 1.801 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnoc3C)C2)CC1 ZINC001086882520 952914199 /nfs/dbraw/zinc/91/41/99/952914199.db2.gz UQZIEIHWDZIOFR-QFBILLFUSA-N 1 3 358.486 1.703 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1c1cnn(C)c1 ZINC001087002344 953057557 /nfs/dbraw/zinc/05/75/57/953057557.db2.gz UROGEJPNPKHURX-VQTJNVASSA-N 1 3 365.481 1.313 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1c1cnn(C)c1 ZINC001087010721 953102373 /nfs/dbraw/zinc/10/23/73/953102373.db2.gz NVOYHXRAJCVCJC-VQTJNVASSA-N 1 3 365.481 1.313 20 30 FDEDHO C=C(C[NH+]1CCCC1)C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001183043696 962756347 /nfs/dbraw/zinc/75/63/47/962756347.db2.gz VYKQIZMOSYOFRZ-UXHICEINSA-N 1 3 370.497 1.535 20 30 FDEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784009 964102138 /nfs/dbraw/zinc/10/21/38/964102138.db2.gz OHPGAQCJZXRWIK-AQNXPRMDSA-N 1 3 355.482 1.172 20 30 FDEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784009 964102148 /nfs/dbraw/zinc/10/21/48/964102148.db2.gz OHPGAQCJZXRWIK-AQNXPRMDSA-N 1 3 355.482 1.172 20 30 FDEDHO O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000852887258 967690299 /nfs/dbraw/zinc/69/02/99/967690299.db2.gz JLAXVGHZKCDMNW-HXUWFJFHSA-N 1 3 355.482 1.397 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000848395490 976716724 /nfs/dbraw/zinc/71/67/24/976716724.db2.gz UFSCMNHFSTXJLV-MRXNPFEDSA-N 1 3 358.442 1.945 20 30 FDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594515 977805353 /nfs/dbraw/zinc/80/53/53/977805353.db2.gz DNXDWYBGICMMRO-MOPGFXCFSA-N 1 3 359.518 1.305 20 30 FDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594515 977805359 /nfs/dbraw/zinc/80/53/59/977805359.db2.gz DNXDWYBGICMMRO-MOPGFXCFSA-N 1 3 359.518 1.305 20 30 FDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594518 977805609 /nfs/dbraw/zinc/80/56/09/977805609.db2.gz DNXDWYBGICMMRO-RTBURBONSA-N 1 3 359.518 1.305 20 30 FDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594518 977805619 /nfs/dbraw/zinc/80/56/19/977805619.db2.gz DNXDWYBGICMMRO-RTBURBONSA-N 1 3 359.518 1.305 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC000883342368 982086297 /nfs/dbraw/zinc/08/62/97/982086297.db2.gz UNNFHHDCOFSNDD-UHFFFAOYSA-N 1 3 364.534 1.970 20 30 FDEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CCN(CCOC)CC1 ZINC000132310464 982299985 /nfs/dbraw/zinc/29/99/85/982299985.db2.gz HXIZCGZWHNIHNM-KSZLIROESA-N 1 3 364.534 1.610 20 30 FDEDHO N#Cc1ccccc1N1CCC([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873217950 988654580 /nfs/dbraw/zinc/65/45/80/988654580.db2.gz VPWVLHUMYGDRIN-INIZCTEOSA-N 1 3 355.486 1.314 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000876846927 992935674 /nfs/dbraw/zinc/93/56/74/992935674.db2.gz GDYMDWJWALOASD-MRXNPFEDSA-N 1 3 370.925 1.297 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876917671 992965735 /nfs/dbraw/zinc/96/57/35/992965735.db2.gz ATVUPCFWXHMQCR-AWEZNQCLSA-N 1 3 352.866 1.379 20 30 FDEDHO C[C@@H](O)[C@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393066 993938444 /nfs/dbraw/zinc/93/84/44/993938444.db2.gz ZVBGXCVTSKTWEA-IFCLKOLQSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H](O)[C@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393066 993938447 /nfs/dbraw/zinc/93/84/47/993938447.db2.gz ZVBGXCVTSKTWEA-IFCLKOLQSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393066 993938453 /nfs/dbraw/zinc/93/84/53/993938453.db2.gz ZVBGXCVTSKTWEA-IFCLKOLQSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393066 993938456 /nfs/dbraw/zinc/93/84/56/993938456.db2.gz ZVBGXCVTSKTWEA-IFCLKOLQSA-N 1 3 357.498 1.964 20 30 FDEDHO C[NH+]=C(NCc1ccco1)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000264029495 997384645 /nfs/dbraw/zinc/38/46/45/997384645.db2.gz CUCBUOSXYPADRW-UHFFFAOYSA-N 1 3 355.486 1.892 20 30 FDEDHO COc1ncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000932514237 1004996334 /nfs/dbraw/zinc/99/63/34/1004996334.db2.gz PQFBJUASVJYHAU-UHFFFAOYSA-N 1 3 372.473 1.642 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000533978311 540311031 /nfs/dbraw/zinc/31/10/31/540311031.db2.gz NRBLYXICFCAMFR-KRWDZBQOSA-N 1 3 367.538 1.029 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000553395535 543625620 /nfs/dbraw/zinc/62/56/20/543625620.db2.gz KROHLZARAUWREM-WMZOPIPTSA-N 1 3 364.534 1.474 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000553395535 543625621 /nfs/dbraw/zinc/62/56/21/543625621.db2.gz KROHLZARAUWREM-WMZOPIPTSA-N 1 3 364.534 1.474 20 30 FDEDHO CCN1CCN(CCCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083031837 524233463 /nfs/dbraw/zinc/23/34/63/524233463.db2.gz XAUWZYCHQDAPMG-GOSISDBHSA-N 1 3 359.518 1.832 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000264106119 537137809 /nfs/dbraw/zinc/13/78/09/537137809.db2.gz PLRAGSCMAZWWOZ-FQEVSTJZSA-N 1 3 373.545 1.784 20 30 FDEDHO C#CCN(C)CCCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000293973253 537632647 /nfs/dbraw/zinc/63/26/47/537632647.db2.gz MGEUEROUUPBWBT-UHFFFAOYSA-N 1 3 367.497 1.797 20 30 FDEDHO C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCN1C ZINC000330230107 537653000 /nfs/dbraw/zinc/65/30/00/537653000.db2.gz QKOAVOPSXKXKPA-VDHUWJSZSA-N 1 3 352.523 1.693 20 30 FDEDHO N#CCCC[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000424149905 538245232 /nfs/dbraw/zinc/24/52/32/538245232.db2.gz XUBSSVCOFUZNKU-SFHVURJKSA-N 1 3 362.449 1.806 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000560797880 545608194 /nfs/dbraw/zinc/60/81/94/545608194.db2.gz WSBHFJMVZMJYRY-GOSISDBHSA-N 1 3 364.534 1.524 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000560797880 545608197 /nfs/dbraw/zinc/60/81/97/545608197.db2.gz WSBHFJMVZMJYRY-GOSISDBHSA-N 1 3 364.534 1.524 20 30 FDEDHO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000569921199 549095480 /nfs/dbraw/zinc/09/54/80/549095480.db2.gz OIRKPMJSHMRHQC-MJGOQNOKSA-N 1 3 359.470 1.388 20 30 FDEDHO CC[NH+]1CCC(N2CCCN(Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000592516544 552004203 /nfs/dbraw/zinc/00/42/03/552004203.db2.gz RGEJVKBRMBLIBW-UHFFFAOYSA-N 1 3 367.501 1.593 20 30 FDEDHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439816 552310834 /nfs/dbraw/zinc/31/08/34/552310834.db2.gz VMICMTKUPMEOTF-IBGZPJMESA-N 1 3 357.502 1.461 20 30 FDEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000597943316 552848550 /nfs/dbraw/zinc/84/85/50/552848550.db2.gz XSAQKXCFOICJQK-FXAWDEMLSA-N 1 3 371.529 1.915 20 30 FDEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000597943316 552848551 /nfs/dbraw/zinc/84/85/51/552848551.db2.gz XSAQKXCFOICJQK-FXAWDEMLSA-N 1 3 371.529 1.915 20 30 FDEDHO CC[NH+]1CCC(NC(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000330262536 567957476 /nfs/dbraw/zinc/95/74/76/567957476.db2.gz VDXUWBLDTRQZMI-OAQYLSRUSA-N 1 3 374.529 1.954 20 30 FDEDHO C[C@H](NCCCC#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000273321996 674527931 /nfs/dbraw/zinc/52/79/31/674527931.db2.gz ZNUPGUIPVQIVIM-HNNXBMFYSA-N 1 3 352.504 1.871 20 30 FDEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CCN(CCOC)CC1 ZINC000261638621 672641354 /nfs/dbraw/zinc/64/13/54/672641354.db2.gz KMMMWFSYQTYSFG-GVDBMIGSSA-N 1 3 350.507 1.220 20 30 FDEDHO CC[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000261835922 672680721 /nfs/dbraw/zinc/68/07/21/672680721.db2.gz OPNLWPWZDYPLRO-QGZVFWFLSA-N 1 3 352.523 1.301 20 30 FDEDHO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCN2CCCCCC2)CC1 ZINC000303906067 676543661 /nfs/dbraw/zinc/54/36/61/676543661.db2.gz VVXAFZAOXPEBHB-UHFFFAOYSA-N 1 3 353.511 1.730 20 30 FDEDHO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329043946 676617057 /nfs/dbraw/zinc/61/70/57/676617057.db2.gz FGOWAPIYRGEEAL-HZPDHXFCSA-N 1 3 372.535 1.020 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]32)CC1 ZINC001083283720 791178699 /nfs/dbraw/zinc/17/86/99/791178699.db2.gz POOCJMFFTCUNOO-VQTJNVASSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]32)CC1 ZINC001083283720 791178717 /nfs/dbraw/zinc/17/87/17/791178717.db2.gz POOCJMFFTCUNOO-VQTJNVASSA-N 1 3 359.514 1.433 20 30 FDEDHO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000261933640 811346889 /nfs/dbraw/zinc/34/68/89/811346889.db2.gz BWQRJCPALRZAFT-AEFFLSMTSA-N 1 3 371.533 1.704 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000419566810 812021708 /nfs/dbraw/zinc/02/17/08/812021708.db2.gz GZKKHMABBCTBCG-PXNSSMCTSA-N 1 3 362.518 1.013 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000419570869 812024593 /nfs/dbraw/zinc/02/45/93/812024593.db2.gz OFXIRIXDCAHALA-RCCFBDPRSA-N 1 3 364.534 1.245 20 30 FDEDHO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000329303618 824725424 /nfs/dbraw/zinc/72/54/24/824725424.db2.gz NZGWAWIBAJSLIG-GOSISDBHSA-N 1 3 372.513 1.884 20 30 FDEDHO CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCn4ccnc4C3)CC2)CC1 ZINC000330201039 825730056 /nfs/dbraw/zinc/73/00/56/825730056.db2.gz XFAOTOGHWYSNGB-MRXNPFEDSA-N 1 3 360.506 1.260 20 30 FDEDHO CN1CCC([NH+]2CCC(NC([O-])=[NH+][C@@H]3CCn4ccnc4C3)CC2)CC1 ZINC000330201039 825730084 /nfs/dbraw/zinc/73/00/84/825730084.db2.gz XFAOTOGHWYSNGB-MRXNPFEDSA-N 1 3 360.506 1.260 20 30 FDEDHO CN1CCC([NH+]2CCC([NH+]=C([O-])N[C@@H]3CCn4ccnc4C3)CC2)CC1 ZINC000330201039 825730089 /nfs/dbraw/zinc/73/00/89/825730089.db2.gz XFAOTOGHWYSNGB-MRXNPFEDSA-N 1 3 360.506 1.260 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000897674612 840217837 /nfs/dbraw/zinc/21/78/37/840217837.db2.gz BEEBZRCYGFDJTJ-UHFFFAOYSA-N 1 3 364.534 1.478 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637326 842271400 /nfs/dbraw/zinc/27/14/00/842271400.db2.gz NFCXOZYDIDFKNA-QCFAMHMHSA-N 1 3 361.530 1.460 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000478017378 843508773 /nfs/dbraw/zinc/50/87/73/843508773.db2.gz SPTHQJCRACCUSD-OXJNMPFZSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)CC1 ZINC000911237787 858349350 /nfs/dbraw/zinc/34/93/50/858349350.db2.gz YTYSYRVWGLWTGU-KRWDZBQOSA-N 1 3 362.518 1.263 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336624 874814996 /nfs/dbraw/zinc/81/49/96/874814996.db2.gz XDUJUUORKJNCOO-OWCLPIDISA-N 1 3 352.523 1.092 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672284 876513572 /nfs/dbraw/zinc/51/35/72/876513572.db2.gz NYGLCKSTLGFFDH-IXDOHACOSA-N 1 3 366.550 1.339 20 30 FDEDHO C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779362 877792357 /nfs/dbraw/zinc/79/23/57/877792357.db2.gz LFIMJWSNKRDROW-QZTJIDSGSA-N 1 3 366.550 1.437 20 30 FDEDHO C=CCC[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084310 885707047 /nfs/dbraw/zinc/70/70/47/885707047.db2.gz HFFFRQLTOGOIPB-ZACQAIPSSA-N 1 3 362.522 1.705 20 30 FDEDHO C=CCC[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084310 885707056 /nfs/dbraw/zinc/70/70/56/885707056.db2.gz HFFFRQLTOGOIPB-ZACQAIPSSA-N 1 3 362.522 1.705 20 30 FDEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129084310 885707065 /nfs/dbraw/zinc/70/70/65/885707065.db2.gz HFFFRQLTOGOIPB-ZACQAIPSSA-N 1 3 362.522 1.705 20 30 FDEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129084310 885707081 /nfs/dbraw/zinc/70/70/81/885707081.db2.gz HFFFRQLTOGOIPB-ZACQAIPSSA-N 1 3 362.522 1.705 20 30 FDEDHO C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084351935 914152311 /nfs/dbraw/zinc/15/23/11/914152311.db2.gz HCQGFAWSNAAFNX-WTGUMLROSA-N 1 3 359.514 1.289 20 30 FDEDHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092753 920804241 /nfs/dbraw/zinc/80/42/41/920804241.db2.gz OZNNVWSIAZVTDO-AQNXPRMDSA-N 1 3 352.482 1.933 20 30 FDEDHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092753 920804247 /nfs/dbraw/zinc/80/42/47/920804247.db2.gz OZNNVWSIAZVTDO-AQNXPRMDSA-N 1 3 352.482 1.933 20 30 FDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279482 923462044 /nfs/dbraw/zinc/46/20/44/923462044.db2.gz MHQRKVFVXYEIGN-DSZOFWSKSA-N 1 3 353.894 1.619 20 30 FDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279482 923462053 /nfs/dbraw/zinc/46/20/53/923462053.db2.gz MHQRKVFVXYEIGN-DSZOFWSKSA-N 1 3 353.894 1.619 20 30 FDEDHO C#CCN1CCN(C(=O)CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000771475506 930686307 /nfs/dbraw/zinc/68/63/07/930686307.db2.gz KVNGPSXKERHQOT-UHFFFAOYSA-N 1 3 374.573 1.598 20 30 FDEDHO C#CCN1CCN(C(=O)CN2CCC(CC[N@H+](CC)CC3CC3)CC2)CC1 ZINC000771475506 930686311 /nfs/dbraw/zinc/68/63/11/930686311.db2.gz KVNGPSXKERHQOT-UHFFFAOYSA-N 1 3 374.573 1.598 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030471 938631991 /nfs/dbraw/zinc/63/19/91/938631991.db2.gz BWMJVVPBFKARHZ-KURKYZTESA-N 1 3 360.506 1.459 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001130137021 938709633 /nfs/dbraw/zinc/70/96/33/938709633.db2.gz FFYFMPAFVJFAIA-SQNIBIBYSA-N 1 3 360.506 1.460 20 30 FDEDHO C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(CC)CC)CC1 ZINC001130304829 938803122 /nfs/dbraw/zinc/80/31/22/938803122.db2.gz BOCZHPKODONNHB-XLIONFOSSA-N 1 3 364.534 1.380 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3cnccn3)C2)CC1 ZINC001086882453 952914295 /nfs/dbraw/zinc/91/42/95/952914295.db2.gz QYHFKMYZHNEUEO-ZIFCJYIRSA-N 1 3 369.513 1.757 20 30 FDEDHO CCCN1CCC[C@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849050934 977293648 /nfs/dbraw/zinc/29/36/48/977293648.db2.gz PCXOMWTYKGXYHW-HOTGVXAUSA-N 1 3 365.522 1.741 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000366040966 988327353 /nfs/dbraw/zinc/32/73/53/988327353.db2.gz XISOSOGFIGAFII-QGZVFWFLSA-N 1 3 364.534 1.922 20 30 FDEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000296201419 989034652 /nfs/dbraw/zinc/03/46/52/989034652.db2.gz CNEYGWDKQFQSNS-HXUWFJFHSA-N 1 3 356.514 1.805 20 30 FDEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000296201419 989034663 /nfs/dbraw/zinc/03/46/63/989034663.db2.gz CNEYGWDKQFQSNS-HXUWFJFHSA-N 1 3 356.514 1.805 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000369403570 989050403 /nfs/dbraw/zinc/05/04/03/989050403.db2.gz VTDVQRXCUGMMSJ-YTQUADARSA-N 1 3 364.534 1.825 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000369403570 989050417 /nfs/dbraw/zinc/05/04/17/989050417.db2.gz VTDVQRXCUGMMSJ-YTQUADARSA-N 1 3 364.534 1.825 20 30 FDEDHO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369292 991049182 /nfs/dbraw/zinc/04/91/82/991049182.db2.gz XZDLYDABSKDNED-LPHOPBHVSA-N 1 3 369.513 1.986 20 30 FDEDHO CN1CCN(C2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000879594206 995064029 /nfs/dbraw/zinc/06/40/29/995064029.db2.gz BFQCTBBSOWFNGI-IBGZPJMESA-N 1 3 358.486 1.010 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000264090047 997401450 /nfs/dbraw/zinc/40/14/50/997401450.db2.gz KSWIHMXBQCCBDM-QGZVFWFLSA-N 1 3 355.490 1.773 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000642769891 1007890947 /nfs/dbraw/zinc/89/09/47/1007890947.db2.gz UCLNIGFABRGIBO-IAGOWNOFSA-N 1 3 350.507 1.060 20 30 FDEDHO C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)N1CCC(C)CC1 ZINC000303894763 1009680055 /nfs/dbraw/zinc/68/00/55/1009680055.db2.gz SUTUUKYNWKHXDG-MRXNPFEDSA-N 1 3 367.538 1.974 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000305822819 1012774434 /nfs/dbraw/zinc/77/44/34/1012774434.db2.gz BQZUZJYGHGORSN-OAHLLOKOSA-N 1 3 359.474 1.634 20 30 FDEDHO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000530230456 539915287 /nfs/dbraw/zinc/91/52/87/539915287.db2.gz GFROHWRPMHGHCC-QFBILLFUSA-N 1 3 359.470 1.388 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000550119138 543012278 /nfs/dbraw/zinc/01/22/78/543012278.db2.gz CWBRRUHSZYWEMM-UHFFFAOYSA-N 1 3 372.513 1.521 20 30 FDEDHO C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158555701 524489749 /nfs/dbraw/zinc/48/97/49/524489749.db2.gz YGETUAYZGHXTHA-RDJZCZTQSA-N 1 3 357.502 1.469 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418795470 537769547 /nfs/dbraw/zinc/76/95/47/537769547.db2.gz SAHDFXUUSCTSSX-GOSISDBHSA-N 1 3 359.474 1.010 20 30 FDEDHO OCCN(CC#CC[N@H+](CCO)[C@H]1CCCSC1)[C@H]1CCCSC1 ZINC000433188835 538209941 /nfs/dbraw/zinc/20/99/41/538209941.db2.gz DEXHMLWIIYZKRI-ROUUACIJSA-N 1 3 372.600 1.370 20 30 FDEDHO OCCN(CC#CC[N@@H+](CCO)[C@H]1CCCSC1)[C@H]1CCCSC1 ZINC000433188835 538209943 /nfs/dbraw/zinc/20/99/43/538209943.db2.gz DEXHMLWIIYZKRI-ROUUACIJSA-N 1 3 372.600 1.370 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000560773340 545601593 /nfs/dbraw/zinc/60/15/93/545601593.db2.gz BEOTVVXTSNJJJP-QGZVFWFLSA-N 1 3 364.534 1.380 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000560773340 545601597 /nfs/dbraw/zinc/60/15/97/545601597.db2.gz BEOTVVXTSNJJJP-QGZVFWFLSA-N 1 3 364.534 1.380 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000581478794 551093318 /nfs/dbraw/zinc/09/33/18/551093318.db2.gz HWODPUMLYCJJDO-UHFFFAOYSA-N 1 3 362.518 1.135 20 30 FDEDHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541733 551238886 /nfs/dbraw/zinc/23/88/86/551238886.db2.gz GQYSHSBXGBMYAT-MJGOQNOKSA-N 1 3 361.486 1.583 20 30 FDEDHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541733 551238888 /nfs/dbraw/zinc/23/88/88/551238888.db2.gz GQYSHSBXGBMYAT-MJGOQNOKSA-N 1 3 361.486 1.583 20 30 FDEDHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000595255721 552505952 /nfs/dbraw/zinc/50/59/52/552505952.db2.gz AQYMZRPBXYBQFG-XIRDDKMYSA-N 1 3 362.449 1.807 20 30 FDEDHO N#CC1(C[C@@H](O)CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722913 553307032 /nfs/dbraw/zinc/30/70/32/553307032.db2.gz RXHWTZHPFZJYQN-RTBURBONSA-N 1 3 370.497 1.528 20 30 FDEDHO N#CC1(C[C@@H](O)CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722913 553307034 /nfs/dbraw/zinc/30/70/34/553307034.db2.gz RXHWTZHPFZJYQN-RTBURBONSA-N 1 3 370.497 1.528 20 30 FDEDHO N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722913 553307036 /nfs/dbraw/zinc/30/70/36/553307036.db2.gz RXHWTZHPFZJYQN-RTBURBONSA-N 1 3 370.497 1.528 20 30 FDEDHO C=C[C@@H](CO)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000290002477 676186607 /nfs/dbraw/zinc/18/66/07/676186607.db2.gz ZFXRSZJIYJVFGJ-ZBFHGGJFSA-N 1 3 355.504 1.114 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000303876842 676543516 /nfs/dbraw/zinc/54/35/16/676543516.db2.gz FBJFOCJLEGUCJM-CABCVRRESA-N 1 3 353.511 1.775 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000378424624 678746772 /nfs/dbraw/zinc/74/67/72/678746772.db2.gz FGAVGXCBRLYRJL-RBUKOAKNSA-N 1 3 350.551 1.759 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000378424624 678746776 /nfs/dbraw/zinc/74/67/76/678746776.db2.gz FGAVGXCBRLYRJL-RBUKOAKNSA-N 1 3 350.551 1.759 20 30 FDEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1C ZINC001104256949 772449987 /nfs/dbraw/zinc/44/99/87/772449987.db2.gz XSHMDOPBUQRCFV-ZACQAIPSSA-N 1 3 370.513 1.043 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656311083 774897745 /nfs/dbraw/zinc/89/77/45/774897745.db2.gz IWBOLPZLOSNLBR-MSOLQXFVSA-N 1 3 362.518 1.276 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211661536 800942882 /nfs/dbraw/zinc/94/28/82/800942882.db2.gz BXLJBEQSOUCDQK-VQTJNVASSA-N 1 3 357.498 1.562 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211667012 803372710 /nfs/dbraw/zinc/37/27/10/803372710.db2.gz RGDNKUNAXWPSIN-PWRODBHTSA-N 1 3 371.525 1.807 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000419564756 812020203 /nfs/dbraw/zinc/02/02/03/812020203.db2.gz CYGKDHHBISCUDM-RCCFBDPRSA-N 1 3 364.534 1.387 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])C(C)C ZINC000419570038 812023653 /nfs/dbraw/zinc/02/36/53/812023653.db2.gz MZNQWUWEQMBYKM-OKZBNKHCSA-N 1 3 364.534 1.530 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H]3CCOC3)[C@@H]2CC)CC1 ZINC001087840439 822559772 /nfs/dbraw/zinc/55/97/72/822559772.db2.gz XPDGIMFLAQUIDT-YSIASYRMSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCOC3)[C@@H]2CC)CC1 ZINC001087840439 822559774 /nfs/dbraw/zinc/55/97/74/822559774.db2.gz XPDGIMFLAQUIDT-YSIASYRMSA-N 1 3 361.530 1.727 20 30 FDEDHO C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105654995 842481308 /nfs/dbraw/zinc/48/13/08/842481308.db2.gz COARBBRUWZZIEW-LFGUQSLTSA-N 1 3 360.502 1.885 20 30 FDEDHO CNC(=O)CC1CCN(C(NCC(C)(C)N2CCC[C@H](C)C2)=[NH+]C)CC1 ZINC000153028657 873454180 /nfs/dbraw/zinc/45/41/80/873454180.db2.gz XPCYGQTUKDWHMF-INIZCTEOSA-N 1 3 365.566 1.920 20 30 FDEDHO C#CCN1CCC(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000763136426 877946686 /nfs/dbraw/zinc/94/66/86/877946686.db2.gz COHYLPBHDDAUCS-UHFFFAOYSA-N 1 3 355.482 1.927 20 30 FDEDHO CCCCCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219882 886601489 /nfs/dbraw/zinc/60/14/89/886601489.db2.gz LZYIMJIPMHSQDW-SJORKVTESA-N 1 3 350.511 1.542 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OCC(F)(F)F)nc1 ZINC000187048826 887585702 /nfs/dbraw/zinc/58/57/02/887585702.db2.gz DYFNTZVISYYPDQ-AWEZNQCLSA-N 1 3 373.423 1.954 20 30 FDEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H](OC)C1 ZINC001081796525 905017699 /nfs/dbraw/zinc/01/76/99/905017699.db2.gz ZKAQYCLYLQXFGT-CEXWTWQISA-N 1 3 365.518 1.411 20 30 FDEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H](OC)C1 ZINC001081796525 905017719 /nfs/dbraw/zinc/01/77/19/905017719.db2.gz ZKAQYCLYLQXFGT-CEXWTWQISA-N 1 3 365.518 1.411 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796525 905017742 /nfs/dbraw/zinc/01/77/42/905017742.db2.gz ZKAQYCLYLQXFGT-CEXWTWQISA-N 1 3 365.518 1.411 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796525 905017762 /nfs/dbraw/zinc/01/77/62/905017762.db2.gz ZKAQYCLYLQXFGT-CEXWTWQISA-N 1 3 365.518 1.411 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1ccc(C#N)s1 ZINC001082515180 908182158 /nfs/dbraw/zinc/18/21/58/908182158.db2.gz CWMMGHJATHVHTK-JEBQAFNWSA-N 1 3 358.511 1.898 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082740810 909936609 /nfs/dbraw/zinc/93/66/09/909936609.db2.gz GYEUZTTVALSDLW-GPMSIDNRSA-N 1 3 370.497 1.988 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082740810 909936613 /nfs/dbraw/zinc/93/66/13/909936613.db2.gz GYEUZTTVALSDLW-GPMSIDNRSA-N 1 3 370.497 1.988 20 30 FDEDHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082741782 909942081 /nfs/dbraw/zinc/94/20/81/909942081.db2.gz COCUMNNKSCHCEJ-SQGPQFPESA-N 1 3 370.497 1.867 20 30 FDEDHO C#CCC[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000747404655 940413534 /nfs/dbraw/zinc/41/35/34/940413534.db2.gz MTMBHWNUKMFYTC-UHFFFAOYSA-N 1 3 368.525 1.803 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131127935 940509953 /nfs/dbraw/zinc/50/99/53/940509953.db2.gz MUSXWHXLRMYWKI-QZTJIDSGSA-N 1 3 357.502 1.203 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090881108 947598957 /nfs/dbraw/zinc/59/89/57/947598957.db2.gz ZUZJBNAELGMDFP-FFZOFVMBSA-N 1 3 355.482 1.554 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090881108 947598962 /nfs/dbraw/zinc/59/89/62/947598962.db2.gz ZUZJBNAELGMDFP-FFZOFVMBSA-N 1 3 355.482 1.554 20 30 FDEDHO NC(=O)c1ccc(C(=[NH2+])Nc2cccc3cc([C@@H]4CNCCO4)cn32)cc1 ZINC001171258878 951727885 /nfs/dbraw/zinc/72/78/85/951727885.db2.gz NWBOVRXDLJVFMG-KRWDZBQOSA-N 1 3 363.421 1.736 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCCCO3)C2)CC1 ZINC001086882432 952914368 /nfs/dbraw/zinc/91/43/68/952914368.db2.gz QGRTVKBTUSYMIM-SXLOBPIMSA-N 1 3 361.530 1.775 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@H]2C)CC1 ZINC001093222087 957849479 /nfs/dbraw/zinc/84/94/79/957849479.db2.gz HAUQZZCIXCGKQL-WIYYLYMNSA-N 1 3 368.525 1.919 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@H]2C)CC1 ZINC001093222087 957849490 /nfs/dbraw/zinc/84/94/90/957849490.db2.gz HAUQZZCIXCGKQL-WIYYLYMNSA-N 1 3 368.525 1.919 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000848393362 976714052 /nfs/dbraw/zinc/71/40/52/976714052.db2.gz AIHULQAITUEZAR-KRWDZBQOSA-N 1 3 358.442 1.945 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000883341916 982086504 /nfs/dbraw/zinc/08/65/04/982086504.db2.gz DSOUYHDRBIDIFD-LJQANCHMSA-N 1 3 364.534 1.970 20 30 FDEDHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884206622 982982277 /nfs/dbraw/zinc/98/22/77/982982277.db2.gz ZRBFYLWGVOQXSF-XVUAGMNHSA-N 1 3 373.545 1.143 20 30 FDEDHO C#CCN1CCC(C(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000371085038 990237216 /nfs/dbraw/zinc/23/72/16/990237216.db2.gz IGKWLXWTVABVLP-UHFFFAOYSA-N 1 3 374.573 1.644 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876751998 992872844 /nfs/dbraw/zinc/87/28/44/992872844.db2.gz DEFVJFZRTAHDNM-KRWDZBQOSA-N 1 3 351.878 1.729 20 30 FDEDHO CN(CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000264076500 997396680 /nfs/dbraw/zinc/39/66/80/997396680.db2.gz HKRDMSXJRNOFOW-UHFFFAOYSA-N 1 3 367.501 1.435 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000264114006 997405632 /nfs/dbraw/zinc/40/56/32/997405632.db2.gz PNMMQGJHENIHCL-WBVHZDCISA-N 1 3 360.506 1.195 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nc(C#N)cs3)CC2)CC1 ZINC000887978685 997991667 /nfs/dbraw/zinc/99/16/67/997991667.db2.gz DYXDLTHPSPAZCO-UHFFFAOYSA-N 1 3 361.515 1.827 20 30 FDEDHO C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)CN1CCN(C)CC1 ZINC000266983150 999283123 /nfs/dbraw/zinc/28/31/23/999283123.db2.gz NYVXTHUHTNKFIT-AWEZNQCLSA-N 1 3 371.451 1.993 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000303889886 1009676539 /nfs/dbraw/zinc/67/65/39/1009676539.db2.gz MGOPOKLGSHEINI-JZXOWHBKSA-N 1 3 374.533 1.584 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000553122031 543572809 /nfs/dbraw/zinc/57/28/09/543572809.db2.gz OTZAEEGEHIMJRH-UHFFFAOYSA-N 1 3 364.534 1.380 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000553395726 543625953 /nfs/dbraw/zinc/62/59/53/543625953.db2.gz NOVMRPOJWSUKRK-UHFFFAOYSA-N 1 3 362.518 1.276 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000553395533 543626147 /nfs/dbraw/zinc/62/61/47/543626147.db2.gz KROHLZARAUWREM-FUHWJXTLSA-N 1 3 364.534 1.474 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000553395533 543626150 /nfs/dbraw/zinc/62/61/50/543626150.db2.gz KROHLZARAUWREM-FUHWJXTLSA-N 1 3 364.534 1.474 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000051273813 523005547 /nfs/dbraw/zinc/00/55/47/523005547.db2.gz KQCSFCNTKRFEKB-UHFFFAOYSA-N 1 3 355.486 1.916 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCOCC2)c1 ZINC000104164654 525398529 /nfs/dbraw/zinc/39/85/29/525398529.db2.gz UJZZALBKVRHCJM-IBGZPJMESA-N 1 3 359.518 1.407 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000106348960 525699638 /nfs/dbraw/zinc/69/96/38/525699638.db2.gz BYOASBQAECSDFN-UHFFFAOYSA-N 1 3 372.513 1.886 20 30 FDEDHO COc1ccccc1CNC(=[NH2+])NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000180454915 525710610 /nfs/dbraw/zinc/71/06/10/525710610.db2.gz GSNBZOZTOHQJFJ-LJQANCHMSA-N 1 3 368.481 1.866 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000182721240 535851247 /nfs/dbraw/zinc/85/12/47/535851247.db2.gz TVPPXGHDNXDRPM-UHFFFAOYSA-N 1 3 351.539 1.306 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000333356730 537347714 /nfs/dbraw/zinc/34/77/14/537347714.db2.gz KLHKLLDLXKUISD-RTBURBONSA-N 1 3 364.534 1.955 20 30 FDEDHO CN1CCC(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)(N2CCOCC2)CC1 ZINC000582951766 551284652 /nfs/dbraw/zinc/28/46/52/551284652.db2.gz CDPDQDHMMDWMHT-HXUWFJFHSA-N 1 3 354.498 1.932 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000595269364 552508654 /nfs/dbraw/zinc/50/86/54/552508654.db2.gz PHDWSOFWCZZJDJ-KBRIMQKVSA-N 1 3 350.413 1.938 20 30 FDEDHO C=C(C)C[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000601781812 553474590 /nfs/dbraw/zinc/47/45/90/553474590.db2.gz MDMVQPBAQZJNNT-SFHVURJKSA-N 1 3 365.518 1.807 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277504165 674956456 /nfs/dbraw/zinc/95/64/56/674956456.db2.gz VTLXTWZEEIIROL-ZDUSSCGKSA-N 1 3 372.922 1.632 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(Cl)cc1 ZINC000303784019 676543055 /nfs/dbraw/zinc/54/30/55/676543055.db2.gz OWMONMDHOLRKLQ-HNNXBMFYSA-N 1 3 351.882 1.458 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718946 676545201 /nfs/dbraw/zinc/54/52/01/676545201.db2.gz HVSPVMCGJYADQJ-GJZGRUSLSA-N 1 3 353.511 1.678 20 30 FDEDHO CN1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000329459516 676639538 /nfs/dbraw/zinc/63/95/38/676639538.db2.gz RQWKZGJCYRMEMB-DDBAPUKQSA-N 1 3 350.507 1.304 20 30 FDEDHO C=C(C)CN(CC)C(=O)CN1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000369155961 677503673 /nfs/dbraw/zinc/50/36/73/677503673.db2.gz NNSLPKIPDQOAKU-UHFFFAOYSA-N 1 3 350.551 1.903 20 30 FDEDHO C#CCN1CCC(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC000377477063 791924268 /nfs/dbraw/zinc/92/42/68/791924268.db2.gz LQLXQLXGTJYMRC-UHFFFAOYSA-N 1 3 368.525 1.892 20 30 FDEDHO COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753818 793291913 /nfs/dbraw/zinc/29/19/13/793291913.db2.gz UQTTYEOSBLEIGT-AQNXPRMDSA-N 1 3 363.546 1.973 20 30 FDEDHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908437 823743573 /nfs/dbraw/zinc/74/35/73/823743573.db2.gz BYQQQRAQRRYHHI-AABGKKOBSA-N 1 3 352.482 1.933 20 30 FDEDHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908437 823743575 /nfs/dbraw/zinc/74/35/75/823743575.db2.gz BYQQQRAQRRYHHI-AABGKKOBSA-N 1 3 352.482 1.933 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](O)C34CCCC4)CC2)CC1 ZINC000330360907 825982361 /nfs/dbraw/zinc/98/23/61/825982361.db2.gz XRVLMPQKUNRPEM-GOSISDBHSA-N 1 3 364.534 1.838 20 30 FDEDHO CC[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262441225 826914382 /nfs/dbraw/zinc/91/43/82/826914382.db2.gz HQBMNNVTLJNRHX-GOSISDBHSA-N 1 3 365.566 1.623 20 30 FDEDHO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CC[C@H](N2CCCCC2)C1 ZINC000262462578 827022910 /nfs/dbraw/zinc/02/29/10/827022910.db2.gz MVSDLOREFUCZMF-SFHVURJKSA-N 1 3 369.513 1.711 20 30 FDEDHO C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202150 827451221 /nfs/dbraw/zinc/45/12/21/827451221.db2.gz MVLXZQHEEINEPS-UAGQMJEPSA-N 1 3 355.910 1.488 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668835883 857528544 /nfs/dbraw/zinc/52/85/44/857528544.db2.gz LPHRSMKWHNTHGW-QGZVFWFLSA-N 1 3 362.518 1.276 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668835883 857528549 /nfs/dbraw/zinc/52/85/49/857528549.db2.gz LPHRSMKWHNTHGW-QGZVFWFLSA-N 1 3 362.518 1.276 20 30 FDEDHO C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000911891442 859095426 /nfs/dbraw/zinc/09/54/26/859095426.db2.gz HAMHBGBASSGUOJ-VQTJNVASSA-N 1 3 357.498 1.996 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000186878804 881536122 /nfs/dbraw/zinc/53/61/22/881536122.db2.gz OFXBTYUIQJTUNR-INIZCTEOSA-N 1 3 365.522 1.942 20 30 FDEDHO C#CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)C1CCN(C)CC1 ZINC000922529269 878494138 /nfs/dbraw/zinc/49/41/38/878494138.db2.gz AWKZOQMLAWKCIV-UHFFFAOYSA-N 1 3 352.548 1.553 20 30 FDEDHO COc1ccc(C#N)cc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034940050 885389051 /nfs/dbraw/zinc/38/90/51/885389051.db2.gz UWZPSZNHBLNWFI-ATZDWAIDSA-N 1 3 370.497 1.988 20 30 FDEDHO COc1ccc(C#N)cc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034940050 885389073 /nfs/dbraw/zinc/38/90/73/885389073.db2.gz UWZPSZNHBLNWFI-ATZDWAIDSA-N 1 3 370.497 1.988 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079252860 902275416 /nfs/dbraw/zinc/27/54/16/902275416.db2.gz RROPYDOYAMKGNF-XUVXKRRUSA-N 1 3 371.525 1.433 20 30 FDEDHO COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552199 905551483 /nfs/dbraw/zinc/55/14/83/905551483.db2.gz JRPSTVHPHOZUPQ-WIYYLYMNSA-N 1 3 363.546 1.975 20 30 FDEDHO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552199 905551490 /nfs/dbraw/zinc/55/14/90/905551490.db2.gz JRPSTVHPHOZUPQ-WIYYLYMNSA-N 1 3 363.546 1.975 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](CC[C@@H]4CCCO4)C[C@H]32)CC1 ZINC001084851204 917661085 /nfs/dbraw/zinc/66/10/85/917661085.db2.gz RQRMUXGLGAVRSM-HSALFYBXSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC[C@@H]4CCCO4)C[C@H]32)CC1 ZINC001084851204 917661091 /nfs/dbraw/zinc/66/10/91/917661091.db2.gz RQRMUXGLGAVRSM-HSALFYBXSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCn4cccn4)[C@H]3C2)CC1 ZINC001085100490 920913940 /nfs/dbraw/zinc/91/39/40/920913940.db2.gz GWLVDGYVYUJLFZ-QUCCMNQESA-N 1 3 369.513 1.151 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cccn4)[C@H]3C2)CC1 ZINC001085100490 920913953 /nfs/dbraw/zinc/91/39/53/920913953.db2.gz GWLVDGYVYUJLFZ-QUCCMNQESA-N 1 3 369.513 1.151 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000743766062 926463765 /nfs/dbraw/zinc/46/37/65/926463765.db2.gz JCULWFVIZCUIFA-NRFANRHFSA-N 1 3 355.482 1.085 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000743766062 926463770 /nfs/dbraw/zinc/46/37/70/926463770.db2.gz JCULWFVIZCUIFA-NRFANRHFSA-N 1 3 355.482 1.085 20 30 FDEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735723 930276959 /nfs/dbraw/zinc/27/69/59/930276959.db2.gz UKTYQMCDBKDLEN-RDGPPVDQSA-N 1 3 365.518 1.411 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130608033 939920128 /nfs/dbraw/zinc/92/01/28/939920128.db2.gz XKPZSJQEQPVUQS-UHOSZYNNSA-N 1 3 359.518 1.611 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131003503 940429535 /nfs/dbraw/zinc/42/95/35/940429535.db2.gz HLSGVMMUYIKPQY-OWCLPIDISA-N 1 3 351.470 1.170 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccc(OC)cc1 ZINC001090871374 947435115 /nfs/dbraw/zinc/43/51/15/947435115.db2.gz QUDLAOIFXKOLPP-PCCBWWKXSA-N 1 3 367.493 1.554 20 30 FDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090874505 947527743 /nfs/dbraw/zinc/52/77/43/947527743.db2.gz KMHTWTLVGBMODH-XUVXKRRUSA-N 1 3 355.482 1.553 20 30 FDEDHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772981435 952422440 /nfs/dbraw/zinc/42/24/40/952422440.db2.gz DFORHVLKEBSVAV-CSIMIJJJSA-N 1 3 364.490 1.239 20 30 FDEDHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772981435 952422443 /nfs/dbraw/zinc/42/24/43/952422443.db2.gz DFORHVLKEBSVAV-CSIMIJJJSA-N 1 3 364.490 1.239 20 30 FDEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679671 952606478 /nfs/dbraw/zinc/60/64/78/952606478.db2.gz JDFTYGBHAWGHLA-BNDYYXHWSA-N 1 3 359.514 1.147 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](OCC)C2CC2)CC1 ZINC001110147225 958335529 /nfs/dbraw/zinc/33/55/29/958335529.db2.gz QGFHIAWGGOQCDK-ANULTFPQSA-N 1 3 373.541 1.868 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](OCC)C2CC2)CC1 ZINC001110147225 958335543 /nfs/dbraw/zinc/33/55/43/958335543.db2.gz QGFHIAWGGOQCDK-ANULTFPQSA-N 1 3 373.541 1.868 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000636676492 1013184197 /nfs/dbraw/zinc/18/41/97/1013184197.db2.gz ITCSRLZGKXMXOM-GOSISDBHSA-N 1 3 362.518 1.276 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000636676492 1013184206 /nfs/dbraw/zinc/18/42/06/1013184206.db2.gz ITCSRLZGKXMXOM-GOSISDBHSA-N 1 3 362.518 1.276 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000636676492 1013184218 /nfs/dbraw/zinc/18/42/18/1013184218.db2.gz ITCSRLZGKXMXOM-GOSISDBHSA-N 1 3 362.518 1.276 20 30 FDEDHO CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978899 961863368 /nfs/dbraw/zinc/86/33/68/961863368.db2.gz OFAZSHBFLCFPOS-ILXRZTDVSA-N 1 3 367.494 1.111 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC000851662064 978988690 /nfs/dbraw/zinc/98/86/90/978988690.db2.gz SODMHZLNZODFRG-PMACEKPBSA-N 1 3 372.513 1.785 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(CC#N)n3)CC2)CC1 ZINC000881146966 979716654 /nfs/dbraw/zinc/71/66/54/979716654.db2.gz GXJVDTBMOMHKOZ-UHFFFAOYSA-N 1 3 356.474 1.828 20 30 FDEDHO C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CN1Cc1ccccc1 ZINC000884228757 983003330 /nfs/dbraw/zinc/00/33/30/983003330.db2.gz YLMDXVUYQDVRTQ-LIEGOMBTSA-N 1 3 352.482 1.905 20 30 FDEDHO C#CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)C1CC[NH+](C)CC1 ZINC000886581203 986383863 /nfs/dbraw/zinc/38/38/63/986383863.db2.gz NDPNNZPBNWRWCW-UHFFFAOYSA-N 1 3 368.525 1.998 20 30 FDEDHO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718764 988715176 /nfs/dbraw/zinc/71/51/76/988715176.db2.gz BAEAHLPPZXGKNF-OXQOHEQNSA-N 1 3 369.513 1.986 20 30 FDEDHO C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000363667896 989382755 /nfs/dbraw/zinc/38/27/55/989382755.db2.gz AASIOEPKLSELPQ-YLJYHZDGSA-N 1 3 372.513 1.398 20 30 FDEDHO C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000363667896 989382766 /nfs/dbraw/zinc/38/27/66/989382766.db2.gz AASIOEPKLSELPQ-YLJYHZDGSA-N 1 3 372.513 1.398 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000297160554 989486263 /nfs/dbraw/zinc/48/62/63/989486263.db2.gz DPUWFCICEMZJOZ-HXUWFJFHSA-N 1 3 372.513 1.398 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000297160554 989486267 /nfs/dbraw/zinc/48/62/67/989486267.db2.gz DPUWFCICEMZJOZ-HXUWFJFHSA-N 1 3 372.513 1.398 20 30 FDEDHO C#CCNC(=O)C1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878018952 993615019 /nfs/dbraw/zinc/61/50/19/993615019.db2.gz OJOJLZWWMTWDQZ-NRFANRHFSA-N 1 3 355.482 1.085 20 30 FDEDHO C#CCNC(=O)C1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878018952 993615023 /nfs/dbraw/zinc/61/50/23/993615023.db2.gz OJOJLZWWMTWDQZ-NRFANRHFSA-N 1 3 355.482 1.085 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000264068722 997395577 /nfs/dbraw/zinc/39/55/77/997395577.db2.gz CJZJUNLGJPNGPO-ROUUACIJSA-N 1 3 373.501 1.693 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143484 997413114 /nfs/dbraw/zinc/41/31/14/997413114.db2.gz XDKLQNWJRKKMNB-DLBZAZTESA-N 1 3 363.506 1.350 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000104170643 998313739 /nfs/dbraw/zinc/31/37/39/998313739.db2.gz KQFJZUDJTPJNIJ-UYAOXDASSA-N 1 3 372.561 1.586 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccccc3CC#N)CC2)CC1 ZINC000777375230 999044999 /nfs/dbraw/zinc/04/49/99/999044999.db2.gz OZTZHECGJGOZDT-UHFFFAOYSA-N 1 3 354.498 1.970 20 30 FDEDHO C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)CN1CCN(C)CC1 ZINC000266983154 999282968 /nfs/dbraw/zinc/28/29/68/999282968.db2.gz NYVXTHUHTNKFIT-CQSZACIVSA-N 1 3 371.451 1.993 20 30 FDEDHO C[NH+]1CCC2(CCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000639757779 1007550478 /nfs/dbraw/zinc/55/04/78/1007550478.db2.gz NQQHZANNPAJNCP-UHFFFAOYSA-N 1 3 351.450 1.704 20 30 FDEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])Nc2cc(OC)ccc2OC)CC1 ZINC000303901149 1009684143 /nfs/dbraw/zinc/68/41/43/1009684143.db2.gz XEWAYYSVBWAQJP-HNNXBMFYSA-N 1 3 363.506 1.704 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000553329868 543610715 /nfs/dbraw/zinc/61/07/15/543610715.db2.gz RVVMYVFHYFZLKF-VQIMIIECSA-N 1 3 374.529 1.228 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000553329868 543610718 /nfs/dbraw/zinc/61/07/18/543610718.db2.gz RVVMYVFHYFZLKF-VQIMIIECSA-N 1 3 374.529 1.228 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000553395534 543625657 /nfs/dbraw/zinc/62/56/57/543625657.db2.gz KROHLZARAUWREM-SJLPKXTDSA-N 1 3 364.534 1.474 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000553395534 543625658 /nfs/dbraw/zinc/62/56/58/543625658.db2.gz KROHLZARAUWREM-SJLPKXTDSA-N 1 3 364.534 1.474 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000553711709 543685609 /nfs/dbraw/zinc/68/56/09/543685609.db2.gz KRKYYOVQXCATNM-UHFFFAOYSA-N 1 3 364.534 1.476 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000557731377 544337267 /nfs/dbraw/zinc/33/72/67/544337267.db2.gz NUQRHKLQRAGTIM-SFHVURJKSA-N 1 3 362.518 1.230 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000559357320 544656631 /nfs/dbraw/zinc/65/66/31/544656631.db2.gz COZBTHYJJXCDOF-UHFFFAOYSA-N 1 3 364.534 1.524 20 30 FDEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CCN(CCOC)CC1 ZINC000163185736 525374478 /nfs/dbraw/zinc/37/44/78/525374478.db2.gz KMMMWFSYQTYSFG-BBWFWOEESA-N 1 3 350.507 1.220 20 30 FDEDHO CC(C)[NH+]1CCC(O)(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280363368 537401013 /nfs/dbraw/zinc/40/10/13/537401013.db2.gz LKYBQZWFXMGWHG-SFHVURJKSA-N 1 3 354.454 1.592 20 30 FDEDHO C[NH+](C)C1CCN(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280357728 537401060 /nfs/dbraw/zinc/40/10/60/537401060.db2.gz KZDCMKJINFRMCY-GOSISDBHSA-N 1 3 353.470 1.383 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000281390000 537536308 /nfs/dbraw/zinc/53/63/08/537536308.db2.gz BLMQGOYIPYNULL-RTBURBONSA-N 1 3 354.454 1.594 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000281390000 537536312 /nfs/dbraw/zinc/53/63/12/537536312.db2.gz BLMQGOYIPYNULL-RTBURBONSA-N 1 3 354.454 1.594 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997971 537599381 /nfs/dbraw/zinc/59/93/81/537599381.db2.gz AQEGLZWOELPQGL-OALUTQOASA-N 1 3 371.529 1.466 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000417518053 538045734 /nfs/dbraw/zinc/04/57/34/538045734.db2.gz ANHWOIZTXDJDCB-QGZVFWFLSA-N 1 3 365.522 1.056 20 30 FDEDHO CN(CCCN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C ZINC000561788332 545953015 /nfs/dbraw/zinc/95/30/15/545953015.db2.gz XIFCNLCHODJZJO-FQEVSTJZSA-N 1 3 371.529 1.869 20 30 FDEDHO CN1CCN(CCOc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000567806413 548266426 /nfs/dbraw/zinc/26/64/26/548266426.db2.gz FDYBXVCJXXUZDY-GOSISDBHSA-N 1 3 359.474 1.272 20 30 FDEDHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000568506776 548565196 /nfs/dbraw/zinc/56/51/96/548565196.db2.gz AMLSIVBNMUXZAY-KRWDZBQOSA-N 1 3 373.501 1.297 20 30 FDEDHO N#Cc1ccc(S(=O)(=O)CCNCCCCC[NH+]2CCCCC2)nc1 ZINC000577485087 550661067 /nfs/dbraw/zinc/66/10/67/550661067.db2.gz PNPIWDNZIINDKL-UHFFFAOYSA-N 1 3 364.515 1.973 20 30 FDEDHO COC1([C@H](C)NCC#CC[NH2+][C@@H](C)C2(OC)CCOCC2)CCOCC1 ZINC000625483990 556823991 /nfs/dbraw/zinc/82/39/91/556823991.db2.gz YYFPQXJFZNNCKC-ROUUACIJSA-N 1 3 368.518 1.337 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000104181370 671595013 /nfs/dbraw/zinc/59/50/13/671595013.db2.gz UYEAOYWIFCYWFZ-OAHLLOKOSA-N 1 3 353.511 1.632 20 30 FDEDHO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262805032 672850770 /nfs/dbraw/zinc/85/07/70/672850770.db2.gz RUSSAOLCZAYTNG-SJLPKXTDSA-N 1 3 353.580 1.559 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)c(OC)c1 ZINC000264140213 672902961 /nfs/dbraw/zinc/90/29/61/672902961.db2.gz WIZUATKKEAVEKK-CQSZACIVSA-N 1 3 350.463 1.601 20 30 FDEDHO CN1CCN(C)[C@H](CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000330507536 676694460 /nfs/dbraw/zinc/69/44/60/676694460.db2.gz BCRMQINWXFHBAW-MRXNPFEDSA-N 1 3 351.470 1.137 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659076976 787951774 /nfs/dbraw/zinc/95/17/74/787951774.db2.gz CKVHUECIEJLJLJ-SFHVURJKSA-N 1 3 372.469 1.053 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415995519 793472128 /nfs/dbraw/zinc/47/21/28/793472128.db2.gz NDJSJDRSYDBLQQ-OAHLLOKOSA-N 1 3 371.407 1.911 20 30 FDEDHO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)C1=O ZINC001105067291 795130720 /nfs/dbraw/zinc/13/07/20/795130720.db2.gz VOBNBECTZQAEGG-KURKYZTESA-N 1 3 364.534 1.188 20 30 FDEDHO COC[C@@]1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCC[NH2+]1 ZINC000418658575 809108869 /nfs/dbraw/zinc/10/88/69/809108869.db2.gz TUMUZQBZMMCSJC-FQEVSTJZSA-N 1 3 373.501 1.400 20 30 FDEDHO C=CCCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419045175 809460207 /nfs/dbraw/zinc/46/02/07/809460207.db2.gz RPZMWZLXPKXVFH-UHFFFAOYSA-N 1 3 358.486 1.179 20 30 FDEDHO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367026567 814237600 /nfs/dbraw/zinc/23/76/00/814237600.db2.gz BDYPRBWYYPSGPT-IEBWSBKVSA-N 1 3 372.513 1.903 20 30 FDEDHO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367026567 814237610 /nfs/dbraw/zinc/23/76/10/814237610.db2.gz BDYPRBWYYPSGPT-IEBWSBKVSA-N 1 3 372.513 1.903 20 30 FDEDHO C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667641811 844933713 /nfs/dbraw/zinc/93/37/13/844933713.db2.gz DULZXHGCVKIVDF-SFHVURJKSA-N 1 3 350.507 1.132 20 30 FDEDHO CCOCCC[NH+]=C(NC[C@@H](C)CN1CCN(C)CC1)NC(C)(C)C ZINC000912499683 859826552 /nfs/dbraw/zinc/82/65/52/859826552.db2.gz YBPZTKQPVNTFKS-QGZVFWFLSA-N 1 3 355.571 1.630 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC(OCC)C3)[C@@H]2C)CC1 ZINC001089059150 866381035 /nfs/dbraw/zinc/38/10/35/866381035.db2.gz BCVSGNOCSXBVTL-OQUMVOOASA-N 1 3 361.530 1.726 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(OCC)C3)[C@@H]2C)CC1 ZINC001089059150 866381044 /nfs/dbraw/zinc/38/10/44/866381044.db2.gz BCVSGNOCSXBVTL-OQUMVOOASA-N 1 3 361.530 1.726 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054308 885586500 /nfs/dbraw/zinc/58/65/00/885586500.db2.gz BKUOPVSAEAXKTP-KSZLIROESA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054308 885586514 /nfs/dbraw/zinc/58/65/14/885586514.db2.gz BKUOPVSAEAXKTP-KSZLIROESA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245968 902255159 /nfs/dbraw/zinc/25/51/59/902255159.db2.gz MDQIYOLSWVYSOX-RBUKOAKNSA-N 1 3 361.530 1.986 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]2C)CC1 ZINC001080998223 906975977 /nfs/dbraw/zinc/97/59/77/906975977.db2.gz WFOLECHIMYVASJ-OYGLOCFBSA-N 1 3 361.530 1.583 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2C)CC1 ZINC001080998223 906975982 /nfs/dbraw/zinc/97/59/82/906975982.db2.gz WFOLECHIMYVASJ-OYGLOCFBSA-N 1 3 361.530 1.583 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCCO2)CC1 ZINC001085432732 924680384 /nfs/dbraw/zinc/68/03/84/924680384.db2.gz NMACPUUISQABHF-VAMGGRTRSA-N 1 3 361.530 1.918 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130590417 939897066 /nfs/dbraw/zinc/89/70/66/939897066.db2.gz ORWCPSYWLTZRIA-PKOBYXMFSA-N 1 3 371.529 1.592 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602714 939914524 /nfs/dbraw/zinc/91/45/24/939914524.db2.gz OVTGEFRSLKNHAA-ZMSDIMECSA-N 1 3 351.470 1.170 20 30 FDEDHO C=CCN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130736975 940038303 /nfs/dbraw/zinc/03/83/03/940038303.db2.gz RXHHIGLTTMILEI-PKOBYXMFSA-N 1 3 359.518 1.756 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131003781 940429938 /nfs/dbraw/zinc/42/99/38/940429938.db2.gz PKDGNWSJIZEOSF-IXDOHACOSA-N 1 3 363.481 1.007 20 30 FDEDHO COc1ccc(CN2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193944 957751778 /nfs/dbraw/zinc/75/17/78/957751778.db2.gz QVJLVVTWBBBYDQ-SZVBFZGTSA-N 1 3 370.497 1.703 20 30 FDEDHO COc1ccc(CN2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193944 957751784 /nfs/dbraw/zinc/75/17/84/957751784.db2.gz QVJLVVTWBBBYDQ-SZVBFZGTSA-N 1 3 370.497 1.703 20 30 FDEDHO COc1ccc(C#N)cc1CN1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193550 957752386 /nfs/dbraw/zinc/75/23/86/957752386.db2.gz JUMNWHGAEBBDSR-HHXXYDBFSA-N 1 3 370.497 1.703 20 30 FDEDHO COc1ccc(C#N)cc1CN1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193550 957752391 /nfs/dbraw/zinc/75/23/91/957752391.db2.gz JUMNWHGAEBBDSR-HHXXYDBFSA-N 1 3 370.497 1.703 20 30 FDEDHO N#Cc1ccc(C(=O)N2CCC(N3CCN(CCC[NH3+])CC3)CC2)cc1 ZINC001173426979 962138154 /nfs/dbraw/zinc/13/81/54/962138154.db2.gz MUONQYNFDZVVMX-UHFFFAOYSA-N 1 3 355.486 1.129 20 30 FDEDHO C=C(CN1CCCC1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001183042998 962754410 /nfs/dbraw/zinc/75/44/10/962754410.db2.gz JGJBEODZAIVATC-JXFKEZNVSA-N 1 3 374.460 1.727 20 30 FDEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731342 964398269 /nfs/dbraw/zinc/39/82/69/964398269.db2.gz RVWQCACGRLZWFA-XDNAFOTISA-N 1 3 362.518 1.106 20 30 FDEDHO C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731342 964398278 /nfs/dbraw/zinc/39/82/78/964398278.db2.gz RVWQCACGRLZWFA-XDNAFOTISA-N 1 3 362.518 1.106 20 30 FDEDHO O=C(C#CC1CC[NH2+]CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000852872989 967680052 /nfs/dbraw/zinc/68/00/52/967680052.db2.gz NXWBMEAIDZDUCQ-UHFFFAOYSA-N 1 3 368.525 1.708 20 30 FDEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290478 970115706 /nfs/dbraw/zinc/11/57/06/970115706.db2.gz ZPDRYPCSGLEGOQ-RTBURBONSA-N 1 3 360.502 1.816 20 30 FDEDHO C#CCN1CCC(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000268697358 999450010 /nfs/dbraw/zinc/45/00/10/999450010.db2.gz GGTOKDOBBQUTOE-UHFFFAOYSA-N 1 3 369.513 1.896 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000270817669 999619190 /nfs/dbraw/zinc/61/91/90/999619190.db2.gz HXSPHMKGNIGRAX-RTWAWAEBSA-N 1 3 369.509 1.331 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000270817669 999619192 /nfs/dbraw/zinc/61/91/92/999619192.db2.gz HXSPHMKGNIGRAX-RTWAWAEBSA-N 1 3 369.509 1.331 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C(C)C ZINC000419566770 1012573304 /nfs/dbraw/zinc/57/33/04/1012573304.db2.gz GURBWOMCPHSINF-XLIONFOSSA-N 1 3 362.518 1.156 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000553396138 543625986 /nfs/dbraw/zinc/62/59/86/543625986.db2.gz WKGVXOSDXXEWSG-UHFFFAOYSA-N 1 3 350.507 1.132 20 30 FDEDHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122163940 524465688 /nfs/dbraw/zinc/46/56/88/524465688.db2.gz PRQBRORGHNWCGU-UHFFFAOYSA-N 1 3 373.501 1.689 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000089896887 524540012 /nfs/dbraw/zinc/54/00/12/524540012.db2.gz IAGODXNYNLOJJV-WOJBJXKFSA-N 1 3 372.513 1.571 20 30 FDEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000092799854 524917686 /nfs/dbraw/zinc/91/76/86/524917686.db2.gz AUMAKIDIANJVOY-HDICACEKSA-N 1 3 364.534 1.960 20 30 FDEDHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cccc(C#N)c1 ZINC000120418196 526056586 /nfs/dbraw/zinc/05/65/86/526056586.db2.gz QAGOZSCBXRFWKB-FQEVSTJZSA-N 1 3 350.466 1.937 20 30 FDEDHO C#CCN1CCC(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000188168271 536284734 /nfs/dbraw/zinc/28/47/34/536284734.db2.gz ARHLYZIJHSSPBE-QFIPXVFZSA-N 1 3 369.509 1.427 20 30 FDEDHO C#CCN1CCC(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000188168271 536284735 /nfs/dbraw/zinc/28/47/35/536284735.db2.gz ARHLYZIJHSSPBE-QFIPXVFZSA-N 1 3 369.509 1.427 20 30 FDEDHO C=CCNC(=O)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189956429 537120497 /nfs/dbraw/zinc/12/04/97/537120497.db2.gz CUSFYTJTQOHYQC-HZPDHXFCSA-N 1 3 358.486 1.744 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433325687 538224837 /nfs/dbraw/zinc/22/48/37/538224837.db2.gz KGHMHEQUUDMVEU-QGZVFWFLSA-N 1 3 352.523 1.827 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433325687 538224841 /nfs/dbraw/zinc/22/48/41/538224841.db2.gz KGHMHEQUUDMVEU-QGZVFWFLSA-N 1 3 352.523 1.827 20 30 FDEDHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600718669 553306620 /nfs/dbraw/zinc/30/66/20/553306620.db2.gz QVTHSOKBERJQTR-FQEVSTJZSA-N 1 3 356.514 1.968 20 30 FDEDHO COC1([C@@H](C)NCC#CC[NH2+][C@H](C)C2(OC)CCOCC2)CCOCC1 ZINC000625483989 556823984 /nfs/dbraw/zinc/82/39/84/556823984.db2.gz YYFPQXJFZNNCKC-QZTJIDSGSA-N 1 3 368.518 1.337 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ncccc1C(F)(F)F ZINC000160517960 672002531 /nfs/dbraw/zinc/00/25/31/672002531.db2.gz SZDHIALPQWNGHD-LBPRGKRZSA-N 1 3 359.396 1.868 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCOCC1 ZINC000264085729 672900796 /nfs/dbraw/zinc/90/07/96/672900796.db2.gz JQNYZZNFHUQCCA-CVEARBPZSA-N 1 3 365.547 1.510 20 30 FDEDHO CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)N1CCOCC1 ZINC000303790339 676543137 /nfs/dbraw/zinc/54/31/37/676543137.db2.gz WBWJMVGDCKAXNH-ZWKOTPCHSA-N 1 3 353.555 1.512 20 30 FDEDHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1C(N)=O ZINC000329130959 676621740 /nfs/dbraw/zinc/62/17/40/676621740.db2.gz ORIQOYAXPJCFNR-CZUORRHYSA-N 1 3 351.495 1.562 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374616311 678088478 /nfs/dbraw/zinc/08/84/78/678088478.db2.gz YYQSVPZMHORJIA-MSOLQXFVSA-N 1 3 350.551 1.900 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374616311 678088481 /nfs/dbraw/zinc/08/84/81/678088481.db2.gz YYQSVPZMHORJIA-MSOLQXFVSA-N 1 3 350.551 1.900 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)NCC#C[C@H]3CCCCO3)CC2)CC1 ZINC000891116439 773311469 /nfs/dbraw/zinc/31/14/69/773311469.db2.gz MSHJDYADABQRSD-HXUWFJFHSA-N 1 3 361.530 1.871 20 30 FDEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243752 795531535 /nfs/dbraw/zinc/53/15/35/795531535.db2.gz IIFOWTOABQURQH-ZWKOTPCHSA-N 1 3 360.506 1.448 20 30 FDEDHO C=CCCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243752 795531544 /nfs/dbraw/zinc/53/15/44/795531544.db2.gz IIFOWTOABQURQH-ZWKOTPCHSA-N 1 3 360.506 1.448 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC001211661893 801033032 /nfs/dbraw/zinc/03/30/32/801033032.db2.gz LJZVPSKEXIPLOT-VQTJNVASSA-N 1 3 369.509 1.562 20 30 FDEDHO C=CC[C@H](CC)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419135368 809599662 /nfs/dbraw/zinc/59/96/62/809599662.db2.gz LGWFLCRPFGPGHP-SFHVURJKSA-N 1 3 372.513 1.567 20 30 FDEDHO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000261933643 811346752 /nfs/dbraw/zinc/34/67/52/811346752.db2.gz BWQRJCPALRZAFT-FUHWJXTLSA-N 1 3 371.533 1.704 20 30 FDEDHO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000261950654 811351681 /nfs/dbraw/zinc/35/16/81/811351681.db2.gz HFULITKRKZSQSN-APWZRJJASA-N 1 3 371.529 1.465 20 30 FDEDHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)N1CCCC1 ZINC000329315731 824731399 /nfs/dbraw/zinc/73/13/99/824731399.db2.gz CTOOVLBGRAZQPS-HNNXBMFYSA-N 1 3 365.522 1.060 20 30 FDEDHO C[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CC[C@H](N2CCCCC2)C1 ZINC000262488793 827459495 /nfs/dbraw/zinc/45/94/95/827459495.db2.gz UEGJBAPKGAIHQY-INIZCTEOSA-N 1 3 374.485 1.930 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661373 842690666 /nfs/dbraw/zinc/69/06/66/842690666.db2.gz IEHMQYZPFWSWNK-HNBVOPMISA-N 1 3 351.535 1.870 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C(C)C ZINC000911204152 858308556 /nfs/dbraw/zinc/30/85/56/858308556.db2.gz VJTAXLLUGAFPOF-FXAWDEMLSA-N 1 3 362.518 1.156 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137577 883111721 /nfs/dbraw/zinc/11/17/21/883111721.db2.gz RUEOBQRYLONAGP-XSYGEPLQSA-N 1 3 364.534 1.416 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137577 883111729 /nfs/dbraw/zinc/11/17/29/883111729.db2.gz RUEOBQRYLONAGP-XSYGEPLQSA-N 1 3 364.534 1.416 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054309 885585134 /nfs/dbraw/zinc/58/51/34/885585134.db2.gz BKUOPVSAEAXKTP-KURKYZTESA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054309 885585144 /nfs/dbraw/zinc/58/51/44/885585144.db2.gz BKUOPVSAEAXKTP-KURKYZTESA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199399 886265433 /nfs/dbraw/zinc/26/54/33/886265433.db2.gz HZPZPFXMBDSRQR-FJIDUMEYSA-N 1 3 360.506 1.316 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199399 886265447 /nfs/dbraw/zinc/26/54/47/886265447.db2.gz HZPZPFXMBDSRQR-FJIDUMEYSA-N 1 3 360.506 1.316 20 30 FDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084352200 914152267 /nfs/dbraw/zinc/15/22/67/914152267.db2.gz XLSCLTRNFKNQPB-WTGUMLROSA-N 1 3 361.530 1.842 20 30 FDEDHO C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142844 901951845 /nfs/dbraw/zinc/95/18/45/901951845.db2.gz XLHSKGDVHSVGHZ-NHCUHLMSSA-N 1 3 371.525 1.978 20 30 FDEDHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107426097 904846478 /nfs/dbraw/zinc/84/64/78/904846478.db2.gz FZSTVJSKTKNJPC-QKNQBKEWSA-N 1 3 361.530 1.871 20 30 FDEDHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107426097 904846481 /nfs/dbraw/zinc/84/64/81/904846481.db2.gz FZSTVJSKTKNJPC-QKNQBKEWSA-N 1 3 361.530 1.871 20 30 FDEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107426097 904846483 /nfs/dbraw/zinc/84/64/83/904846483.db2.gz FZSTVJSKTKNJPC-QKNQBKEWSA-N 1 3 361.530 1.871 20 30 FDEDHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107426097 904846486 /nfs/dbraw/zinc/84/64/86/904846486.db2.gz FZSTVJSKTKNJPC-QKNQBKEWSA-N 1 3 361.530 1.871 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132910 905929425 /nfs/dbraw/zinc/92/94/25/905929425.db2.gz XGIQIPGSYZTVAW-GPMSIDNRSA-N 1 3 355.498 1.981 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132910 905929427 /nfs/dbraw/zinc/92/94/27/905929427.db2.gz XGIQIPGSYZTVAW-GPMSIDNRSA-N 1 3 355.498 1.981 20 30 FDEDHO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082742465 909944690 /nfs/dbraw/zinc/94/46/90/909944690.db2.gz GWWNUMPAOSJDLH-QMTMVMCOSA-N 1 3 358.461 1.976 20 30 FDEDHO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082742465 909944697 /nfs/dbraw/zinc/94/46/97/909944697.db2.gz GWWNUMPAOSJDLH-QMTMVMCOSA-N 1 3 358.461 1.976 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130612386 939910273 /nfs/dbraw/zinc/91/02/73/939910273.db2.gz XXMDQZMLKPNDKH-UHOSZYNNSA-N 1 3 361.534 1.857 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131036062 940465493 /nfs/dbraw/zinc/46/54/93/940465493.db2.gz YOZLLDWBNBVPCM-GGPKGHCWSA-N 1 3 369.513 1.202 20 30 FDEDHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000817656117 942864984 /nfs/dbraw/zinc/86/49/84/942864984.db2.gz AODMPDGQWFEZAF-HXUWFJFHSA-N 1 3 370.497 1.610 20 30 FDEDHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000817656117 942864989 /nfs/dbraw/zinc/86/49/89/942864989.db2.gz AODMPDGQWFEZAF-HXUWFJFHSA-N 1 3 370.497 1.610 20 30 FDEDHO C#CCNC(=O)CC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604111 971250044 /nfs/dbraw/zinc/25/00/44/971250044.db2.gz JJBWKVMWRYJQQQ-LJQANCHMSA-N 1 3 358.486 1.514 20 30 FDEDHO C#CCNC(=O)CC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604111 971250048 /nfs/dbraw/zinc/25/00/48/971250048.db2.gz JJBWKVMWRYJQQQ-LJQANCHMSA-N 1 3 358.486 1.514 20 30 FDEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319506 972193229 /nfs/dbraw/zinc/19/32/29/972193229.db2.gz KOTWSEXZOBDQFP-QZTJIDSGSA-N 1 3 353.507 1.005 20 30 FDEDHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094075008 959702490 /nfs/dbraw/zinc/70/24/90/959702490.db2.gz UVGXWSSWVQVZLD-CZUORRHYSA-N 1 3 355.417 1.847 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000848395488 976717005 /nfs/dbraw/zinc/71/70/05/976717005.db2.gz UFSCMNHFSTXJLV-INIZCTEOSA-N 1 3 358.442 1.945 20 30 FDEDHO C#CCN(C)CCCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594517 977807818 /nfs/dbraw/zinc/80/78/18/977807818.db2.gz DNXDWYBGICMMRO-RBUKOAKNSA-N 1 3 359.518 1.305 20 30 FDEDHO C#CCN(C)CCCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594517 977807827 /nfs/dbraw/zinc/80/78/27/977807827.db2.gz DNXDWYBGICMMRO-RBUKOAKNSA-N 1 3 359.518 1.305 20 30 FDEDHO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000884193757 982969651 /nfs/dbraw/zinc/96/96/51/982969651.db2.gz OOHCALRKBMEOIS-JMDAGXMHSA-N 1 3 352.482 1.907 20 30 FDEDHO CCC1(N2CCOCC2)CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884442446 983157683 /nfs/dbraw/zinc/15/76/83/983157683.db2.gz FQCFQHZNSFKYOC-TVRKMHQQSA-N 1 3 360.502 1.229 20 30 FDEDHO C#CCN1CCC(C(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000363110182 988926446 /nfs/dbraw/zinc/92/64/46/988926446.db2.gz HORQKWAEICWCRS-UHFFFAOYSA-N 1 3 368.525 1.892 20 30 FDEDHO C#Cc1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000124655841 989160354 /nfs/dbraw/zinc/16/03/54/989160354.db2.gz MKWDSJASYLIEPT-IBGZPJMESA-N 1 3 370.497 1.481 20 30 FDEDHO C#Cc1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000124655841 989160358 /nfs/dbraw/zinc/16/03/58/989160358.db2.gz MKWDSJASYLIEPT-IBGZPJMESA-N 1 3 370.497 1.481 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000296474694 989230477 /nfs/dbraw/zinc/23/04/77/989230477.db2.gz WWQSRBAYCZTBOY-UHFFFAOYSA-N 1 3 360.502 1.771 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000876966085 992988156 /nfs/dbraw/zinc/98/81/56/992988156.db2.gz MLLXXEJZNLTOPW-QEJZJMRPSA-N 1 3 355.841 1.866 20 30 FDEDHO CN1CCN(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000879590814 995057661 /nfs/dbraw/zinc/05/76/61/995057661.db2.gz LHAFLCZLLKMMQE-IBGZPJMESA-N 1 3 358.486 1.010 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652147138 1016769044 /nfs/dbraw/zinc/76/90/44/1016769044.db2.gz JPGDMZPZYJUGKA-YQVWRLOYSA-N 1 3 364.534 1.955 20 30 FDEDHO C#CCN(C(=O)C(=O)NC[C@@H]1CCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000931062595 1003834906 /nfs/dbraw/zinc/83/49/06/1003834906.db2.gz RNGAZGMPXYMJQN-IBGZPJMESA-N 1 3 374.529 1.066 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000932907401 1005238759 /nfs/dbraw/zinc/23/87/59/1005238759.db2.gz DHPOJLXLAYYOPT-AWEZNQCLSA-N 1 3 361.412 1.689 20 30 FDEDHO CC[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)N1CCCC1 ZINC000089120421 1006010874 /nfs/dbraw/zinc/01/08/74/1006010874.db2.gz DIFUEVIVPQEYOG-CVEARBPZSA-N 1 3 365.522 1.741 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCOCC1 ZINC000245910878 1006209802 /nfs/dbraw/zinc/20/98/02/1006209802.db2.gz PCKSBCCNHFODDC-RBUKOAKNSA-N 1 3 359.518 1.449 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000553669912 543677890 /nfs/dbraw/zinc/67/78/90/543677890.db2.gz OXYHZCOGRFHCRQ-UHFFFAOYSA-N 1 3 364.534 1.333 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)NCC#Cc3ccccc3)CC2)CC1 ZINC000051268618 523003350 /nfs/dbraw/zinc/00/33/50/523003350.db2.gz FQGAYELLBLMZQF-UHFFFAOYSA-N 1 3 354.498 1.896 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC1 ZINC000185358693 536206370 /nfs/dbraw/zinc/20/63/70/536206370.db2.gz NCBWBHMYDIBBEK-UHFFFAOYSA-N 1 3 365.566 1.742 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3OCC#N)CC2)CC1 ZINC000195203539 537369487 /nfs/dbraw/zinc/36/94/87/537369487.db2.gz HMUMQMNZIWMAGG-UHFFFAOYSA-N 1 3 356.470 1.877 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)C(C)C ZINC000274863146 537532967 /nfs/dbraw/zinc/53/29/67/537532967.db2.gz QCJXVZJAPZZPQQ-IBGZPJMESA-N 1 3 366.550 1.783 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)C(C)C ZINC000274863146 537532972 /nfs/dbraw/zinc/53/29/72/537532972.db2.gz QCJXVZJAPZZPQQ-IBGZPJMESA-N 1 3 366.550 1.783 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275580405 537557005 /nfs/dbraw/zinc/55/70/05/537557005.db2.gz HSTJHQFFBKKEPW-UHFFFAOYSA-N 1 3 372.513 1.886 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000483918181 538746653 /nfs/dbraw/zinc/74/66/53/538746653.db2.gz RCELZEBZZPLZOK-INIZCTEOSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000483918181 538746658 /nfs/dbraw/zinc/74/66/58/538746658.db2.gz RCELZEBZZPLZOK-INIZCTEOSA-N 1 3 364.534 1.380 20 30 FDEDHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000563140042 546421830 /nfs/dbraw/zinc/42/18/30/546421830.db2.gz AZRQFNHUDKWOHH-MOPGFXCFSA-N 1 3 361.486 1.175 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C#N)CCSC3)CC2)CC1 ZINC000594257248 552272008 /nfs/dbraw/zinc/27/20/08/552272008.db2.gz BKGLRZOHELGNSA-GOSISDBHSA-N 1 3 350.532 1.698 20 30 FDEDHO CN1CCN(CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594437766 552310037 /nfs/dbraw/zinc/31/00/37/552310037.db2.gz FFWIDNREXNNXMG-IBGZPJMESA-N 1 3 373.501 1.663 20 30 FDEDHO CN(CC1C[NH+](C)C1)c1cc(N(C)CC2CN(C)C2)c([N+](=O)[O-])cc1C#N ZINC000596454277 552680768 /nfs/dbraw/zinc/68/07/68/552680768.db2.gz SFIFRSFITJKIHA-UHFFFAOYSA-N 1 3 372.473 1.462 20 30 FDEDHO CN(C)CCOc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000600722660 553307184 /nfs/dbraw/zinc/30/71/84/553307184.db2.gz KCXIIEIERQWEMI-GOSISDBHSA-N 1 3 361.486 1.788 20 30 FDEDHO N#CC1(C[C@H](O)CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000600729251 553308259 /nfs/dbraw/zinc/30/82/59/553308259.db2.gz UHJAJJYLMGBSPD-FHWLQOOXSA-N 1 3 365.518 1.415 20 30 FDEDHO N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCOCC1 ZINC000600736839 553309291 /nfs/dbraw/zinc/30/92/91/553309291.db2.gz SWMUYUXVFJXBQA-VQTJNVASSA-N 1 3 373.497 1.414 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000627371394 557375341 /nfs/dbraw/zinc/37/53/41/557375341.db2.gz DBAJPWFZERNYSE-DLBZAZTESA-N 1 3 362.518 1.202 20 30 FDEDHO CC[NH+]=C(NC[C@@H]1CCCN(C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158614415 671981280 /nfs/dbraw/zinc/98/12/80/671981280.db2.gz ILEJSQMYWYDIQA-INIZCTEOSA-N 1 3 372.579 1.581 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(OC)cc(OC)cc1OC ZINC000264063942 672899712 /nfs/dbraw/zinc/89/97/12/672899712.db2.gz ALORXQFMBMPTFP-CYBMUJFWSA-N 1 3 350.463 1.601 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCOCC1 ZINC000264085733 672900809 /nfs/dbraw/zinc/90/08/09/672900809.db2.gz JQNYZZNFHUQCCA-HOTGVXAUSA-N 1 3 365.547 1.510 20 30 FDEDHO CNC(=O)CC1CCN(C(NCC(C)(C)N2CCC[C@@H](C)C2)=[NH+]C)CC1 ZINC000153028587 783339762 /nfs/dbraw/zinc/33/97/62/783339762.db2.gz XPCYGQTUKDWHMF-MRXNPFEDSA-N 1 3 365.566 1.920 20 30 FDEDHO C=CCCCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420199753 813533766 /nfs/dbraw/zinc/53/37/66/813533766.db2.gz FJELXCCBXGHQBF-UHFFFAOYSA-N 1 3 372.513 1.569 20 30 FDEDHO N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000521611620 821313562 /nfs/dbraw/zinc/31/35/62/821313562.db2.gz FYZPHONWJLUFKH-NRSPTQNISA-N 1 3 373.497 1.655 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(O)(C(F)F)CC3)CC2)CC1 ZINC000330284867 825794009 /nfs/dbraw/zinc/79/40/09/825794009.db2.gz YBXHAFCJVVFAEZ-UHFFFAOYSA-N 1 3 374.476 1.551 20 30 FDEDHO CC[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000262441227 826914085 /nfs/dbraw/zinc/91/40/85/826914085.db2.gz HQBMNNVTLJNRHX-SFHVURJKSA-N 1 3 365.566 1.623 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668697 843831323 /nfs/dbraw/zinc/83/13/23/843831323.db2.gz MARUNIBXVUWWNT-LFGUQSLTSA-N 1 3 351.535 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H]2C)CC1 ZINC001089059739 866387997 /nfs/dbraw/zinc/38/79/97/866387997.db2.gz YTVQRNTUFSPGKL-JRGCBEDISA-N 1 3 369.509 1.644 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@@H]2C)CC1 ZINC001089059739 866388002 /nfs/dbraw/zinc/38/80/02/866388002.db2.gz YTVQRNTUFSPGKL-JRGCBEDISA-N 1 3 369.509 1.644 20 30 FDEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1 ZINC000068309920 889093775 /nfs/dbraw/zinc/09/37/75/889093775.db2.gz WXHMTUVSHCSPBQ-UHFFFAOYSA-N 1 3 352.482 1.794 20 30 FDEDHO C#CCN1CCC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000923576742 889918268 /nfs/dbraw/zinc/91/82/68/889918268.db2.gz PGYUVHPASHPMFS-FQEVSTJZSA-N 1 3 354.498 1.261 20 30 FDEDHO C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079146992 901970778 /nfs/dbraw/zinc/97/07/78/901970778.db2.gz RAIGVYQHHXLKPI-XUVXKRRUSA-N 1 3 357.498 1.588 20 30 FDEDHO C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079146992 901970785 /nfs/dbraw/zinc/97/07/85/901970785.db2.gz RAIGVYQHHXLKPI-XUVXKRRUSA-N 1 3 357.498 1.588 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240991 902192006 /nfs/dbraw/zinc/19/20/06/902192006.db2.gz IWWPTBCVTZIDRF-IPMKNSEASA-N 1 3 359.514 1.432 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240991 902192015 /nfs/dbraw/zinc/19/20/15/902192015.db2.gz IWWPTBCVTZIDRF-IPMKNSEASA-N 1 3 359.514 1.432 20 30 FDEDHO C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(CC#C)CC2)C1 ZINC001086625038 938508906 /nfs/dbraw/zinc/50/89/06/938508906.db2.gz HTNJFOBCDIVSMR-FCHUYYIVSA-N 1 3 363.505 1.939 20 30 FDEDHO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCN(CC#C)CC2)C1 ZINC001086625038 938508909 /nfs/dbraw/zinc/50/89/09/938508909.db2.gz HTNJFOBCDIVSMR-FCHUYYIVSA-N 1 3 363.505 1.939 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131054036 940480834 /nfs/dbraw/zinc/48/08/34/940480834.db2.gz OGDJBDIZKJDYLC-WNRNVDISSA-N 1 3 357.502 1.058 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131054036 940480835 /nfs/dbraw/zinc/48/08/35/940480835.db2.gz OGDJBDIZKJDYLC-WNRNVDISSA-N 1 3 357.502 1.058 20 30 FDEDHO C[C@@]12CN(Cc3ccc(C#N)cc3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001092203100 954528764 /nfs/dbraw/zinc/52/87/64/954528764.db2.gz CSOAZYIASSZKMZ-CTNGQTDRSA-N 1 3 364.493 1.934 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2C)CC1 ZINC001093223884 957852860 /nfs/dbraw/zinc/85/28/60/957852860.db2.gz IWNFCMJTLLYPGE-YLJYHZDGSA-N 1 3 361.530 1.442 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2C)CC1 ZINC001093223884 957852870 /nfs/dbraw/zinc/85/28/70/957852870.db2.gz IWNFCMJTLLYPGE-YLJYHZDGSA-N 1 3 361.530 1.442 20 30 FDEDHO C#CCCN1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000847416654 975596776 /nfs/dbraw/zinc/59/67/76/975596776.db2.gz PSOCJWUMQADTCQ-UHFFFAOYSA-N 1 3 360.546 1.350 20 30 FDEDHO C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371301443 260687886 /nfs/dbraw/zinc/68/78/86/260687886.db2.gz FVFYAEVYCUQTMB-XLIONFOSSA-N 1 3 369.513 1.845 20 30 FDEDHO COC[C@@H](C)NC(=[NH2+])NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000104170823 525397971 /nfs/dbraw/zinc/39/79/71/525397971.db2.gz ICHQFHFTIKXBBC-GOSISDBHSA-N 1 3 361.534 1.836 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C)C(C)C ZINC000236671084 537595082 /nfs/dbraw/zinc/59/50/82/537595082.db2.gz XTCPQUHRTSIELW-SFHVURJKSA-N 1 3 374.533 1.939 20 30 FDEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000569450051 548921266 /nfs/dbraw/zinc/92/12/66/548921266.db2.gz YCPBCMIWJXPZMX-LJQANCHMSA-N 1 3 361.530 1.770 20 30 FDEDHO N#CCCC[C@@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000583022472 551292594 /nfs/dbraw/zinc/29/25/94/551292594.db2.gz NFZDRHGBPSJUKC-LJQANCHMSA-N 1 3 357.502 1.332 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000598451063 552896750 /nfs/dbraw/zinc/89/67/50/552896750.db2.gz MTYYJMXJFOXTHU-HKUYNNGSSA-N 1 3 352.438 1.298 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000598451063 552896751 /nfs/dbraw/zinc/89/67/51/552896751.db2.gz MTYYJMXJFOXTHU-HKUYNNGSSA-N 1 3 352.438 1.298 20 30 FDEDHO N#CC1(C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000600729253 553308387 /nfs/dbraw/zinc/30/83/87/553308387.db2.gz UHJAJJYLMGBSPD-IPMKNSEASA-N 1 3 365.518 1.415 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000104168002 671594626 /nfs/dbraw/zinc/59/46/26/671594626.db2.gz YCQSBHCIXCFQRP-GJZGRUSLSA-N 1 3 353.511 1.632 20 30 FDEDHO C[NH+]=C(NC[C@H]1CCCN(CC(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943292 672698899 /nfs/dbraw/zinc/69/88/99/672698899.db2.gz FCKJGWNZGVATJD-MRXNPFEDSA-N 1 3 372.579 1.439 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(OC)cc(OC)cc1OC ZINC000264063947 672899774 /nfs/dbraw/zinc/89/97/74/672899774.db2.gz ALORXQFMBMPTFP-ZDUSSCGKSA-N 1 3 350.463 1.601 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC([NH2+]C)CC1)C(C)C ZINC000419566298 680278778 /nfs/dbraw/zinc/27/87/78/680278778.db2.gz GDEIYGJGRSVNOD-QGZVFWFLSA-N 1 3 350.507 1.012 20 30 FDEDHO C=CC[C@]1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000662757722 803073382 /nfs/dbraw/zinc/07/33/82/803073382.db2.gz LSBJRJBCTGDZCF-OAQYLSRUSA-N 1 3 356.514 1.749 20 30 FDEDHO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261950657 811351424 /nfs/dbraw/zinc/35/14/24/811351424.db2.gz HFULITKRKZSQSN-VQIMIIECSA-N 1 3 371.529 1.465 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000419565167 812021571 /nfs/dbraw/zinc/02/15/71/812021571.db2.gz DOJWXHIUIINFMJ-SQNIBIBYSA-N 1 3 362.518 1.154 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)Cc3c(F)cccc3C#N)CC2)CC1 ZINC000509559127 817744151 /nfs/dbraw/zinc/74/41/51/817744151.db2.gz KVMDCQBZZPXNHQ-UHFFFAOYSA-N 1 3 358.461 1.915 20 30 FDEDHO C=CCOCCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112155788 819892106 /nfs/dbraw/zinc/89/21/06/819892106.db2.gz KNAORWHOYNDJOR-ZIAGYGMSSA-N 1 3 351.413 1.510 20 30 FDEDHO CN1CC[NH+](CC2CCN(C([O-])=[NH+][C@H]3CCc4nc[nH]c4C3)CC2)CC1 ZINC000329582222 824901478 /nfs/dbraw/zinc/90/14/78/824901478.db2.gz AKEVNPXESRUXSA-INIZCTEOSA-N 1 3 360.506 1.140 20 30 FDEDHO CN1CC[NH+](CC2CCN(C([O-])=[NH+][C@H]3CCc4[nH]cnc4C3)CC2)CC1 ZINC000329582222 824901482 /nfs/dbraw/zinc/90/14/82/824901482.db2.gz AKEVNPXESRUXSA-INIZCTEOSA-N 1 3 360.506 1.140 20 30 FDEDHO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000262470981 827154732 /nfs/dbraw/zinc/15/47/32/827154732.db2.gz OXCMAWXGHDFZQD-IBGZPJMESA-N 1 3 367.497 1.742 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000897675216 840218542 /nfs/dbraw/zinc/21/85/42/840218542.db2.gz VAFKQZAKACMRNG-UHFFFAOYSA-N 1 3 362.518 1.230 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)N(C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642099 842302909 /nfs/dbraw/zinc/30/29/09/842302909.db2.gz HQNHDZKINYJOFP-DCXXXQMHSA-N 1 3 363.546 1.706 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668695 843830446 /nfs/dbraw/zinc/83/04/46/843830446.db2.gz MARUNIBXVUWWNT-IZBJGVDFSA-N 1 3 351.535 1.870 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668696 843830895 /nfs/dbraw/zinc/83/08/95/843830895.db2.gz MARUNIBXVUWWNT-JYBIWHBTSA-N 1 3 351.535 1.870 20 30 FDEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106730750 877225929 /nfs/dbraw/zinc/22/59/29/877225929.db2.gz NQUSAKHKOPNLFT-KZNAEPCWSA-N 1 3 364.534 1.236 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2C)CC1 ZINC001080997876 906974385 /nfs/dbraw/zinc/97/43/85/906974385.db2.gz NLUGJCRZLSPMTE-DUXKGJEZSA-N 1 3 369.509 1.502 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]2C)CC1 ZINC001080997876 906974392 /nfs/dbraw/zinc/97/43/92/906974392.db2.gz NLUGJCRZLSPMTE-DUXKGJEZSA-N 1 3 369.509 1.502 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cncn2C)CC1 ZINC001085432496 924678946 /nfs/dbraw/zinc/67/89/46/924678946.db2.gz APSBEDJVDZBEQZ-RTBURBONSA-N 1 3 357.502 1.282 20 30 FDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001086088644 925943208 /nfs/dbraw/zinc/94/32/08/925943208.db2.gz JOSQXVSLVHLQDT-SPUZQDLCSA-N 1 3 369.937 1.970 20 30 FDEDHO CCCCCCCN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370481 929359109 /nfs/dbraw/zinc/35/91/09/929359109.db2.gz XAVXBOYOOYLFOL-MSOLQXFVSA-N 1 3 364.538 1.932 20 30 FDEDHO CCCCCCCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370481 929359126 /nfs/dbraw/zinc/35/91/26/929359126.db2.gz XAVXBOYOOYLFOL-MSOLQXFVSA-N 1 3 364.538 1.932 20 30 FDEDHO C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001130305271 938803677 /nfs/dbraw/zinc/80/36/77/938803677.db2.gz QMHQINMRDZZJLF-XLIONFOSSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672354 939971545 /nfs/dbraw/zinc/97/15/45/939971545.db2.gz OIBRTAMPNRECRO-JENIJYKNSA-N 1 3 359.518 1.612 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687579 939977103 /nfs/dbraw/zinc/97/71/03/939977103.db2.gz HASSQROURBBHAS-DFQSSKMNSA-N 1 3 371.529 1.590 20 30 FDEDHO C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001131609012 940789100 /nfs/dbraw/zinc/78/91/00/940789100.db2.gz UZVHOVORIHJYJL-AABGKKOBSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090884161 947636145 /nfs/dbraw/zinc/63/61/45/947636145.db2.gz AKUMCTJBWPCCMS-LSTHTHJFSA-N 1 3 355.482 1.554 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090884161 947636151 /nfs/dbraw/zinc/63/61/51/947636151.db2.gz AKUMCTJBWPCCMS-LSTHTHJFSA-N 1 3 355.482 1.554 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090884160 947636417 /nfs/dbraw/zinc/63/64/17/947636417.db2.gz AKUMCTJBWPCCMS-FFZOFVMBSA-N 1 3 355.482 1.554 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090884160 947636418 /nfs/dbraw/zinc/63/64/18/947636418.db2.gz AKUMCTJBWPCCMS-FFZOFVMBSA-N 1 3 355.482 1.554 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982229 952994869 /nfs/dbraw/zinc/99/48/69/952994869.db2.gz AAMRLQIJQXHRBS-ZCNNSNEGSA-N 1 3 369.513 1.344 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982229 952994871 /nfs/dbraw/zinc/99/48/71/952994871.db2.gz AAMRLQIJQXHRBS-ZCNNSNEGSA-N 1 3 369.513 1.344 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC001093223614 957854100 /nfs/dbraw/zinc/85/41/00/957854100.db2.gz CPHXEWHJDWDZMD-RLLQIKCJSA-N 1 3 361.530 1.585 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC001093223614 957854108 /nfs/dbraw/zinc/85/41/08/957854108.db2.gz CPHXEWHJDWDZMD-RLLQIKCJSA-N 1 3 361.530 1.585 20 30 FDEDHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094221012 960046418 /nfs/dbraw/zinc/04/64/18/960046418.db2.gz KOYUBQPMUMAVOJ-CRAIPNDOSA-N 1 3 358.461 1.977 20 30 FDEDHO C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189870682 967320624 /nfs/dbraw/zinc/32/06/24/967320624.db2.gz CWZJRQQMBXLSOW-RCCFBDPRSA-N 1 3 362.518 1.038 20 30 FDEDHO C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]3C2)C1=O ZINC001189913753 967376245 /nfs/dbraw/zinc/37/62/45/967376245.db2.gz ZQKGDADABBRVAO-OKZBNKHCSA-N 1 3 362.518 1.038 20 30 FDEDHO C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)CC[N@H+](C)CCC)[C@@H]3C2)C1=O ZINC001189913753 967376251 /nfs/dbraw/zinc/37/62/51/967376251.db2.gz ZQKGDADABBRVAO-OKZBNKHCSA-N 1 3 362.518 1.038 20 30 FDEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194087179 970009405 /nfs/dbraw/zinc/00/94/05/970009405.db2.gz ZQLMXERWKDADDQ-QZTJIDSGSA-N 1 3 351.535 1.994 20 30 FDEDHO C#CCC1(O)CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000882527409 980702282 /nfs/dbraw/zinc/70/22/82/980702282.db2.gz ASCMQESMXLJBRR-UHFFFAOYSA-N 1 3 361.530 1.560 20 30 FDEDHO CN(Cc1cc(C#N)cc(C[N@H+](C)CC2(CO)CC2)c1)CC1(CO)CC1 ZINC000878482626 993977594 /nfs/dbraw/zinc/97/75/94/993977594.db2.gz VJIGDNWPRMJSRM-UHFFFAOYSA-N 1 3 357.498 1.967 20 30 FDEDHO CN(Cc1cc(C#N)cc(C[N@@H+](C)CC2(CO)CC2)c1)CC1(CO)CC1 ZINC000878482626 993977601 /nfs/dbraw/zinc/97/76/01/993977601.db2.gz VJIGDNWPRMJSRM-UHFFFAOYSA-N 1 3 357.498 1.967 20 30 FDEDHO C#CCN(C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C1CCN(C)CC1 ZINC000925918207 995826097 /nfs/dbraw/zinc/82/60/97/995826097.db2.gz KVNATIQLOAXSCP-LJQANCHMSA-N 1 3 357.502 1.813 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000284066878 999775978 /nfs/dbraw/zinc/77/59/78/999775978.db2.gz LCLJDMWWYJXYFW-UHFFFAOYSA-N 1 3 358.486 1.131 20 30 FDEDHO C#Cc1ccc(NC(=O)CCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000930137265 1002862600 /nfs/dbraw/zinc/86/26/00/1002862600.db2.gz QVURRWFAKWXBOS-GHTZIAJQSA-N 1 3 368.525 1.954 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652146930 1016768562 /nfs/dbraw/zinc/76/85/62/1016768562.db2.gz BYHRNEQSBCPPEN-LZLYRXPVSA-N 1 3 350.507 1.565 20 30 FDEDHO N#CCCOCCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555414994 543954086 /nfs/dbraw/zinc/95/40/86/543954086.db2.gz VOJPCCXYQLOUOU-UHFFFAOYSA-N 1 3 350.507 1.621 20 30 FDEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371821686 537833696 /nfs/dbraw/zinc/83/36/96/537833696.db2.gz CATVAEZHQAZOON-IBGZPJMESA-N 1 3 362.562 1.925 20 30 FDEDHO CN1CCN(CCCNC(=O)[C@@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000565713668 547451950 /nfs/dbraw/zinc/45/19/50/547451950.db2.gz JFUAOWITKHCHLL-OALUTQOASA-N 1 3 357.502 1.503 20 30 FDEDHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000571795452 549766723 /nfs/dbraw/zinc/76/67/23/549766723.db2.gz ZNOSMBJYZXIFSG-IBGZPJMESA-N 1 3 357.502 1.461 20 30 FDEDHO CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1)[C@H]1CCCN(C)C1 ZINC000592168000 551952638 /nfs/dbraw/zinc/95/26/38/551952638.db2.gz SAGKFZYHGCTTGJ-ROUUACIJSA-N 1 3 371.485 1.812 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000592343887 551982940 /nfs/dbraw/zinc/98/29/40/551982940.db2.gz MATCYWAVANLYOX-LJQANCHMSA-N 1 3 365.566 1.598 20 30 FDEDHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439536 552310196 /nfs/dbraw/zinc/31/01/96/552310196.db2.gz RMSMACSKHDOVCS-HXUWFJFHSA-N 1 3 371.529 1.852 20 30 FDEDHO C[NH+](C)CCC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000598540553 552907522 /nfs/dbraw/zinc/90/75/22/552907522.db2.gz PNMMLXVENMAFHB-MOPGFXCFSA-N 1 3 354.454 1.810 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000599929910 553175705 /nfs/dbraw/zinc/17/57/05/553175705.db2.gz CQBXXEJZBRRDDI-UHFFFAOYSA-N 1 3 359.474 1.139 20 30 FDEDHO N#CC1(C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000600729254 553308379 /nfs/dbraw/zinc/30/83/79/553308379.db2.gz UHJAJJYLMGBSPD-OTWHNJEPSA-N 1 3 365.518 1.415 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(CCC#N)CC3)CC2)CC1 ZINC000602202241 553539259 /nfs/dbraw/zinc/53/92/59/553539259.db2.gz BQAKMIPZSWTXNS-UHFFFAOYSA-N 1 3 361.534 1.241 20 30 FDEDHO C=C(CNC(=O)[C@@H]1CCCCN1CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000620748459 555979277 /nfs/dbraw/zinc/97/92/77/555979277.db2.gz QZMGMPYFPWZFOP-ROUUACIJSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(CNC(=O)[C@@H]1CCCCN1CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000620748459 555979279 /nfs/dbraw/zinc/97/92/79/555979279.db2.gz QZMGMPYFPWZFOP-ROUUACIJSA-N 1 3 364.534 1.524 20 30 FDEDHO C[NH+]=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000083175133 671472281 /nfs/dbraw/zinc/47/22/81/671472281.db2.gz VUCMMHDPIBXJDB-INIZCTEOSA-N 1 3 365.591 1.750 20 30 FDEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CCN(CCOC)CC1 ZINC000262394037 672782424 /nfs/dbraw/zinc/78/24/24/672782424.db2.gz MPTKGIWTEPSPIT-GVDBMIGSSA-N 1 3 352.523 1.466 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1CS(C)(=O)=O ZINC000304743936 676544264 /nfs/dbraw/zinc/54/42/64/676544264.db2.gz DMAVEZQZMMGDDC-INIZCTEOSA-N 1 3 352.504 1.120 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)C(C)C ZINC000419576926 680282098 /nfs/dbraw/zinc/28/20/98/680282098.db2.gz YLHOEWYUGSYBEC-QGZVFWFLSA-N 1 3 350.507 1.012 20 30 FDEDHO C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000262426080 811465228 /nfs/dbraw/zinc/46/52/28/811465228.db2.gz COLCNZITHNASQN-GOSISDBHSA-N 1 3 369.513 1.711 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000419566811 812022081 /nfs/dbraw/zinc/02/20/81/812022081.db2.gz GZKKHMABBCTBCG-XLIONFOSSA-N 1 3 362.518 1.013 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000419736398 812161661 /nfs/dbraw/zinc/16/16/61/812161661.db2.gz XHHDHHYFXNEGMD-AEFFLSMTSA-N 1 3 362.518 1.134 20 30 FDEDHO Cn1ccnc1[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000328871271 819573253 /nfs/dbraw/zinc/57/32/53/819573253.db2.gz PYKPQESKYBFZJX-MRXNPFEDSA-N 1 3 374.533 1.682 20 30 FDEDHO [O-]C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329898677 825530294 /nfs/dbraw/zinc/53/02/94/825530294.db2.gz DYXQBVKMJLJMLO-USXIJHARSA-N 1 3 361.490 1.327 20 30 FDEDHO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](N2CCCCC2)C1 ZINC000262465992 827059953 /nfs/dbraw/zinc/05/99/53/827059953.db2.gz NSAQTRHPCIWYGD-INIZCTEOSA-N 1 3 359.522 1.640 20 30 FDEDHO C#CCCN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112185063 827876397 /nfs/dbraw/zinc/87/63/97/827876397.db2.gz RNEDYCRTMOMOHE-HUUCEWRRSA-N 1 3 361.408 1.099 20 30 FDEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000729592915 830135143 /nfs/dbraw/zinc/13/51/43/830135143.db2.gz NXKOUWOLLOBFLO-GBESFXJTSA-N 1 3 364.534 1.847 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105670134 844358131 /nfs/dbraw/zinc/35/81/31/844358131.db2.gz YAZGDFNWOVEQSN-HNBVOPMISA-N 1 3 351.535 1.870 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)N(C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642332 842306342 /nfs/dbraw/zinc/30/63/42/842306342.db2.gz IVFUSFYFDMNFIN-DCXXXQMHSA-N 1 3 363.546 1.706 20 30 FDEDHO C=CCN(C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000842277301 846185781 /nfs/dbraw/zinc/18/57/81/846185781.db2.gz OZISKWNILQEXPG-UHFFFAOYSA-N 1 3 372.513 1.519 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189033 912226297 /nfs/dbraw/zinc/22/62/97/912226297.db2.gz GLJRRLXLDHHNTC-ATZDWAIDSA-N 1 3 370.497 1.988 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189033 912226311 /nfs/dbraw/zinc/22/63/11/912226311.db2.gz GLJRRLXLDHHNTC-ATZDWAIDSA-N 1 3 370.497 1.988 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626531 878844294 /nfs/dbraw/zinc/84/42/94/878844294.db2.gz BWCXIIUKGIBIMS-FTEYMNFISA-N 1 3 364.534 1.111 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626531 878844304 /nfs/dbraw/zinc/84/43/04/878844304.db2.gz BWCXIIUKGIBIMS-FTEYMNFISA-N 1 3 364.534 1.111 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054712 885587797 /nfs/dbraw/zinc/58/77/97/885587797.db2.gz KRDSBSPZXOIKMZ-KURKYZTESA-N 1 3 360.506 1.460 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054712 885587812 /nfs/dbraw/zinc/58/78/12/885587812.db2.gz KRDSBSPZXOIKMZ-KURKYZTESA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCC[C@H](C)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219934 886603145 /nfs/dbraw/zinc/60/31/45/886603145.db2.gz OPQOGDMKNIUIDK-BBWFWOEESA-N 1 3 360.506 1.316 20 30 FDEDHO C#CCC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245661 902255701 /nfs/dbraw/zinc/25/57/01/902255701.db2.gz FAOIKQXFEFRARJ-RBUKOAKNSA-N 1 3 359.514 1.433 20 30 FDEDHO C=CCC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259668 902295634 /nfs/dbraw/zinc/29/56/34/902295634.db2.gz MZWGOWRWKIQWIC-GBESFXJTSA-N 1 3 361.530 1.844 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082520050 908213876 /nfs/dbraw/zinc/21/38/76/908213876.db2.gz XDLNHKHVOJLMNO-BCXHYRKLSA-N 1 3 358.461 1.974 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082520050 908213890 /nfs/dbraw/zinc/21/38/90/908213890.db2.gz XDLNHKHVOJLMNO-BCXHYRKLSA-N 1 3 358.461 1.974 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](CC[C@H]4CCCO4)C[C@H]32)CC1 ZINC001084851205 917660604 /nfs/dbraw/zinc/66/06/04/917660604.db2.gz RQRMUXGLGAVRSM-VAMGGRTRSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC[C@H]4CCCO4)C[C@H]32)CC1 ZINC001084851205 917660610 /nfs/dbraw/zinc/66/06/10/917660610.db2.gz RQRMUXGLGAVRSM-VAMGGRTRSA-N 1 3 359.514 1.433 20 30 FDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894345 938555423 /nfs/dbraw/zinc/55/54/23/938555423.db2.gz BTNPPFRVFWWNPI-JQHSSLGASA-N 1 3 360.506 1.459 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130011983 938614433 /nfs/dbraw/zinc/61/44/33/938614433.db2.gz HQPLTZJCIAMDQY-SJORKVTESA-N 1 3 360.506 1.318 20 30 FDEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001130291138 938795899 /nfs/dbraw/zinc/79/58/99/938795899.db2.gz YRXFODJFSRGBRU-AEFFLSMTSA-N 1 3 362.518 1.132 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672565 939971936 /nfs/dbraw/zinc/97/19/36/939971936.db2.gz SZESRZJMHGVWBA-JENIJYKNSA-N 1 3 359.518 1.612 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672797 939971999 /nfs/dbraw/zinc/97/19/99/939971999.db2.gz ZLVBILNJVZXXAY-ZIFCJYIRSA-N 1 3 359.518 1.755 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070169 940484212 /nfs/dbraw/zinc/48/42/12/940484212.db2.gz JCOWEOXLMRDBGO-RCCFBDPRSA-N 1 3 359.518 1.612 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011436 953103773 /nfs/dbraw/zinc/10/37/73/953103773.db2.gz XFDXZYHEFDQTSW-VQTJNVASSA-N 1 3 365.481 1.313 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@H+](CCn4cccn4)C[C@@]3(C)C2)CC1 ZINC001092299569 954745174 /nfs/dbraw/zinc/74/51/74/954745174.db2.gz BRLNZZLATPGURV-CTNGQTDRSA-N 1 3 369.513 1.009 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@@H+](CCn4cccn4)C[C@@]3(C)C2)CC1 ZINC001092299569 954745177 /nfs/dbraw/zinc/74/51/77/954745177.db2.gz BRLNZZLATPGURV-CTNGQTDRSA-N 1 3 369.513 1.009 20 30 FDEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474058 960642701 /nfs/dbraw/zinc/64/27/01/960642701.db2.gz JNYLOFSYLYYHRA-HSGZRYJKSA-N 1 3 357.498 1.234 20 30 FDEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474058 960642709 /nfs/dbraw/zinc/64/27/09/960642709.db2.gz JNYLOFSYLYYHRA-HSGZRYJKSA-N 1 3 357.498 1.234 20 30 FDEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193726834 969817652 /nfs/dbraw/zinc/81/76/52/969817652.db2.gz FODJEEFKOYRCJH-IPMKNSEASA-N 1 3 351.535 1.872 20 30 FDEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193726834 969817661 /nfs/dbraw/zinc/81/76/61/969817661.db2.gz FODJEEFKOYRCJH-IPMKNSEASA-N 1 3 351.535 1.872 20 30 FDEDHO C#CCC1(O)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000883249069 982031441 /nfs/dbraw/zinc/03/14/41/982031441.db2.gz ROADQIUXUGAVPG-UHFFFAOYSA-N 1 3 362.518 1.105 20 30 FDEDHO C#CC[N@@H+](C)CCCNC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000858492671 982078362 /nfs/dbraw/zinc/07/83/62/982078362.db2.gz BKQUVJXZDRVUFN-UHFFFAOYSA-N 1 3 350.507 1.228 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000858492671 982078370 /nfs/dbraw/zinc/07/83/70/982078370.db2.gz BKQUVJXZDRVUFN-UHFFFAOYSA-N 1 3 350.507 1.228 20 30 FDEDHO CN1CCN(Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)CC1 ZINC000884234161 983008414 /nfs/dbraw/zinc/00/84/14/983008414.db2.gz JZFQLKHVCTYHCB-IDYZSHNDSA-N 1 3 367.497 1.512 20 30 FDEDHO C[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000363667893 989383281 /nfs/dbraw/zinc/38/32/81/989383281.db2.gz AASIOEPKLSELPQ-FXAWDEMLSA-N 1 3 372.513 1.398 20 30 FDEDHO C[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000363667893 989383284 /nfs/dbraw/zinc/38/32/84/989383284.db2.gz AASIOEPKLSELPQ-FXAWDEMLSA-N 1 3 372.513 1.398 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926255545 996000867 /nfs/dbraw/zinc/00/08/67/996000867.db2.gz RRSSFIBBRAWHAZ-XCJLJZCSSA-N 1 3 361.530 1.318 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926255545 996000874 /nfs/dbraw/zinc/00/08/74/996000874.db2.gz RRSSFIBBRAWHAZ-XCJLJZCSSA-N 1 3 361.530 1.318 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405526 999554371 /nfs/dbraw/zinc/55/43/71/999554371.db2.gz GNQZTYYPASNKFS-QZTJIDSGSA-N 1 3 357.502 1.424 20 30 FDEDHO C#CCN(C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCN(C)CC1 ZINC000929362338 1001970193 /nfs/dbraw/zinc/97/01/93/1001970193.db2.gz YWZPGDFZUFFHHL-UHFFFAOYSA-N 1 3 374.529 1.066 20 30 FDEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])Nc2cc(OC)ccc2OC)CC1 ZINC000303901152 1009684398 /nfs/dbraw/zinc/68/43/98/1009684398.db2.gz XEWAYYSVBWAQJP-OAHLLOKOSA-N 1 3 363.506 1.704 20 30 FDEDHO C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)N1CCC[C@H](C)C1 ZINC000303903367 1009685627 /nfs/dbraw/zinc/68/56/27/1009685627.db2.gz UJRJRMSYMZKRFT-HOTGVXAUSA-N 1 3 367.538 1.974 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000553672129 543678650 /nfs/dbraw/zinc/67/86/50/543678650.db2.gz MGLPTJCGXJJWCH-QGZVFWFLSA-N 1 3 364.534 1.381 20 30 FDEDHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](NC2CCOCC2)C(C)C)c1C#N ZINC000534791193 490409232 /nfs/dbraw/zinc/40/92/32/490409232.db2.gz LWLVNHKMACVLSQ-INIZCTEOSA-N 1 3 362.478 1.165 20 30 FDEDHO C=C(C)CN1CCC(NC(NC[C@@H]2CCc3nnc(C)n3C2)=[NH+]C)CC1 ZINC000262830911 536913356 /nfs/dbraw/zinc/91/33/56/536913356.db2.gz ZYJGVDISZLEVJC-INIZCTEOSA-N 1 3 359.522 1.354 20 30 FDEDHO CN(C)[C@]1(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCSC1 ZINC000330230228 537653027 /nfs/dbraw/zinc/65/30/27/537653027.db2.gz WKKHSTPAJLRGHD-KRWDZBQOSA-N 1 3 366.535 1.913 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417073531 537997245 /nfs/dbraw/zinc/99/72/45/537997245.db2.gz YAQUHXLBRBXWEG-RBUKOAKNSA-N 1 3 363.550 1.374 20 30 FDEDHO N#Cc1ccc(CCN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892610 552629527 /nfs/dbraw/zinc/62/95/27/552629527.db2.gz NRCWGKFBOVLVMC-RTBURBONSA-N 1 3 353.470 1.321 20 30 FDEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000597943317 552848854 /nfs/dbraw/zinc/84/88/54/552848854.db2.gz XSAQKXCFOICJQK-PXNSSMCTSA-N 1 3 371.529 1.915 20 30 FDEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000597943317 552848855 /nfs/dbraw/zinc/84/88/55/552848855.db2.gz XSAQKXCFOICJQK-PXNSSMCTSA-N 1 3 371.529 1.915 20 30 FDEDHO N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCOCC1 ZINC000600736844 553309169 /nfs/dbraw/zinc/30/91/69/553309169.db2.gz SWMUYUXVFJXBQA-WOJBJXKFSA-N 1 3 373.497 1.414 20 30 FDEDHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ncc1C#N ZINC000603110799 553710595 /nfs/dbraw/zinc/71/05/95/553710595.db2.gz CIUACFMHAZSKHJ-UHFFFAOYSA-N 1 3 356.474 1.942 20 30 FDEDHO C=C(CNC(=O)[C@H]1CCCCN1CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000620748458 555979080 /nfs/dbraw/zinc/97/90/80/555979080.db2.gz QZMGMPYFPWZFOP-QZTJIDSGSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(CNC(=O)[C@H]1CCCCN1CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000620748458 555979084 /nfs/dbraw/zinc/97/90/84/555979084.db2.gz QZMGMPYFPWZFOP-QZTJIDSGSA-N 1 3 364.534 1.524 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCOCC1 ZINC000264085741 672900642 /nfs/dbraw/zinc/90/06/42/672900642.db2.gz JQNYZZNFHUQCCA-HZPDHXFCSA-N 1 3 365.547 1.510 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)ccc1OC ZINC000264083943 672900735 /nfs/dbraw/zinc/90/07/35/672900735.db2.gz IHQKOPGYIGUTEH-CJNGLKHVSA-N 1 3 350.463 1.126 20 30 FDEDHO CCN1CCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000264116599 672901542 /nfs/dbraw/zinc/90/15/42/672901542.db2.gz SYEWITOCAKTDRS-UHFFFAOYSA-N 1 3 359.396 1.949 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)nc1 ZINC000303894065 676543754 /nfs/dbraw/zinc/54/37/54/676543754.db2.gz OOYWNXJYZXVFOB-CYBMUJFWSA-N 1 3 359.396 1.911 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1c(F)cccc1F)N(C)C ZINC000304749673 676544281 /nfs/dbraw/zinc/54/42/81/676544281.db2.gz HWZUJSIFOAXDON-XJKSGUPXSA-N 1 3 353.461 1.956 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)CN2CCN(CC)CC2)CC1 ZINC000458316821 780941271 /nfs/dbraw/zinc/94/12/71/780941271.db2.gz HXCSWNTWDOCWJI-UHFFFAOYSA-N 1 3 365.566 1.742 20 30 FDEDHO CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765950 805752309 /nfs/dbraw/zinc/75/23/09/805752309.db2.gz ZHSSYEHLOIFCIX-XKRYSZRTSA-N 1 3 351.494 1.649 20 30 FDEDHO CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765950 805752313 /nfs/dbraw/zinc/75/23/13/805752313.db2.gz ZHSSYEHLOIFCIX-XKRYSZRTSA-N 1 3 351.494 1.649 20 30 FDEDHO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)C1=O ZINC001105067292 795130495 /nfs/dbraw/zinc/13/04/95/795130495.db2.gz VOBNBECTZQAEGG-KZNAEPCWSA-N 1 3 364.534 1.188 20 30 FDEDHO CCN1CCC[C@H](NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000330239017 795418601 /nfs/dbraw/zinc/41/86/01/795418601.db2.gz IBHCYWDPTDRRIQ-FPOVZHCZSA-N 1 3 374.529 1.954 20 30 FDEDHO CCN1CCC[C@H](NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000330239017 795418610 /nfs/dbraw/zinc/41/86/10/795418610.db2.gz IBHCYWDPTDRRIQ-FPOVZHCZSA-N 1 3 374.529 1.954 20 30 FDEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992471 824954160 /nfs/dbraw/zinc/95/41/60/824954160.db2.gz XHGLPQPRUPWDDL-HBFSDRIKSA-N 1 3 359.514 1.433 20 30 FDEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992471 824954165 /nfs/dbraw/zinc/95/41/65/824954165.db2.gz XHGLPQPRUPWDDL-HBFSDRIKSA-N 1 3 359.514 1.433 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ncn(C(C)(C)C)n3)CC2)CC1 ZINC000328616924 887593238 /nfs/dbraw/zinc/59/32/38/887593238.db2.gz SXVGEAUCPRMJGU-UHFFFAOYSA-N 1 3 363.510 1.918 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082741824 909941321 /nfs/dbraw/zinc/94/13/21/909941321.db2.gz DUHKZXKRTHMHIC-FRQCXROJSA-N 1 3 370.497 1.845 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082741824 909941327 /nfs/dbraw/zinc/94/13/27/909941327.db2.gz DUHKZXKRTHMHIC-FRQCXROJSA-N 1 3 370.497 1.845 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1n1ccnn1 ZINC001130134045 938708881 /nfs/dbraw/zinc/70/88/81/938708881.db2.gz PSCREXYRFJVDOG-MOPGFXCFSA-N 1 3 368.485 1.571 20 30 FDEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001130307046 938804836 /nfs/dbraw/zinc/80/48/36/938804836.db2.gz GJXJUOIDTIFZFI-XLIONFOSSA-N 1 3 364.534 1.380 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672369 939971426 /nfs/dbraw/zinc/97/14/26/939971426.db2.gz OTYMTQOBZRFIMH-JENIJYKNSA-N 1 3 359.518 1.755 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070168 940484302 /nfs/dbraw/zinc/48/43/02/940484302.db2.gz JCOWEOXLMRDBGO-KZNAEPCWSA-N 1 3 359.518 1.612 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131125951 940507999 /nfs/dbraw/zinc/50/79/99/940507999.db2.gz OYJUQPHOHDKCKY-RTBURBONSA-N 1 3 371.529 1.594 20 30 FDEDHO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001131510314 940658948 /nfs/dbraw/zinc/65/89/48/940658948.db2.gz AONRJJJHSUVLOF-KURKYZTESA-N 1 3 353.482 1.285 20 30 FDEDHO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090874828 947484043 /nfs/dbraw/zinc/48/40/43/947484043.db2.gz UIDHITLUEKQBJE-VQTJNVASSA-N 1 3 355.482 1.697 20 30 FDEDHO C=C(CN1CCCC1)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001183043724 962756488 /nfs/dbraw/zinc/75/64/88/962756488.db2.gz WYNMYGPFTPMJBC-OKZBNKHCSA-N 1 3 371.485 1.086 20 30 FDEDHO CCN1CCN(Cc2ccccc2CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872656 967678892 /nfs/dbraw/zinc/67/88/92/967678892.db2.gz JQQXTVJIWOYUFH-UHFFFAOYSA-N 1 3 368.525 1.443 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000875182806 991022001 /nfs/dbraw/zinc/02/20/01/991022001.db2.gz ZBHIYYVFGAHCPE-UHFFFAOYSA-N 1 3 364.534 1.380 20 30 FDEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000876780360 992906136 /nfs/dbraw/zinc/90/61/36/992906136.db2.gz FRGXDVBDNZPSEC-SFHVURJKSA-N 1 3 364.921 1.780 20 30 FDEDHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC001137118272 993199290 /nfs/dbraw/zinc/19/92/90/993199290.db2.gz SCTREFGPSOLTLW-HBFSDRIKSA-N 1 3 366.469 1.775 20 30 FDEDHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC001137118272 993199303 /nfs/dbraw/zinc/19/93/03/993199303.db2.gz SCTREFGPSOLTLW-HBFSDRIKSA-N 1 3 366.469 1.775 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OC[C@H]1CCOC1 ZINC000287012953 999954068 /nfs/dbraw/zinc/95/40/68/999954068.db2.gz FWMCPPLLEXFEIY-DOTOQJQBSA-N 1 3 361.490 1.386 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867186 1009643305 /nfs/dbraw/zinc/64/33/05/1009643305.db2.gz CTKXAOQDPLVQRI-PMACEKPBSA-N 1 3 373.545 1.757 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000303889884 1009676958 /nfs/dbraw/zinc/67/69/58/1009676958.db2.gz MGOPOKLGSHEINI-JFIYKMOQSA-N 1 3 374.533 1.584 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000557731985 544337789 /nfs/dbraw/zinc/33/77/89/544337789.db2.gz JJFPILQNLOKRGP-QGZVFWFLSA-N 1 3 350.507 1.086 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000557731985 544337792 /nfs/dbraw/zinc/33/77/92/544337792.db2.gz JJFPILQNLOKRGP-QGZVFWFLSA-N 1 3 350.507 1.086 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000328960399 259069082 /nfs/dbraw/zinc/06/90/82/259069082.db2.gz QJGKVACXCBPXNZ-LMNJBCLMSA-N 1 3 372.513 1.256 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000328960399 259069083 /nfs/dbraw/zinc/06/90/83/259069083.db2.gz QJGKVACXCBPXNZ-LMNJBCLMSA-N 1 3 372.513 1.256 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000172351754 524207961 /nfs/dbraw/zinc/20/79/61/524207961.db2.gz CCSPLUDDULZZKH-INIZCTEOSA-N 1 3 350.507 1.437 20 30 FDEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083032523 524235013 /nfs/dbraw/zinc/23/50/13/524235013.db2.gz OWWJHZHKFKCFTP-AEFFLSMTSA-N 1 3 359.518 1.688 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1CN1CCCC1=O ZINC000264106110 537137684 /nfs/dbraw/zinc/13/76/84/537137684.db2.gz PLBPPWDPOKZHBC-GOSISDBHSA-N 1 3 357.502 1.698 20 30 FDEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264297477 537140725 /nfs/dbraw/zinc/14/07/25/537140725.db2.gz QVOBAYOUCSGINM-GOSISDBHSA-N 1 3 357.502 1.845 20 30 FDEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000363823882 537330688 /nfs/dbraw/zinc/33/06/88/537330688.db2.gz OGOBXOHOJGXBSE-IBGZPJMESA-N 1 3 363.550 1.447 20 30 FDEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000363823882 537330691 /nfs/dbraw/zinc/33/06/91/537330691.db2.gz OGOBXOHOJGXBSE-IBGZPJMESA-N 1 3 363.550 1.447 20 30 FDEDHO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCN(C)CC[NH+](C)C ZINC000573721964 550200821 /nfs/dbraw/zinc/20/08/21/550200821.db2.gz QRKMLJSEOHPOHK-QGZVFWFLSA-N 1 3 351.539 1.533 20 30 FDEDHO C[NH+](C)CCn1c2cc(NC(=O)[C@H](N)CCCCC#N)ccc2oc1=O ZINC000594436311 552309957 /nfs/dbraw/zinc/30/99/57/552309957.db2.gz CZEVKIHNHBHUDE-CQSZACIVSA-N 1 3 359.430 1.506 20 30 FDEDHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)CCCCC#N)nc2)CC1 ZINC000594439183 552310343 /nfs/dbraw/zinc/31/03/43/552310343.db2.gz PDHRVIJSJCTSCY-KRWDZBQOSA-N 1 3 358.490 1.962 20 30 FDEDHO CN(C)CCN(C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000598918519 552944972 /nfs/dbraw/zinc/94/49/72/552944972.db2.gz JSAVNQBBBSDYAV-UHFFFAOYSA-N 1 3 354.502 1.932 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000621844699 556169252 /nfs/dbraw/zinc/16/92/52/556169252.db2.gz VPXYSDBBSJVJBR-HLIPFELVSA-N 1 3 362.518 1.141 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000186871333 672276803 /nfs/dbraw/zinc/27/68/03/672276803.db2.gz GRHZTZDZOUROGZ-GFCCVEGCSA-N 1 3 363.453 1.535 20 30 FDEDHO CCCN1CC[C@@H](CNC(=[NH+]CC)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261656875 672644371 /nfs/dbraw/zinc/64/43/71/672644371.db2.gz AFYZOVXSXXUEGU-HNNXBMFYSA-N 1 3 358.552 1.193 20 30 FDEDHO CC[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000261835921 672680833 /nfs/dbraw/zinc/68/08/33/672680833.db2.gz OPNLWPWZDYPLRO-KRWDZBQOSA-N 1 3 352.523 1.301 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000264107566 672901638 /nfs/dbraw/zinc/90/16/38/672901638.db2.gz OESCECUYDMBPMD-JTQLQIEISA-N 1 3 357.380 1.431 20 30 FDEDHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1 ZINC000328848453 676609678 /nfs/dbraw/zinc/60/96/78/676609678.db2.gz WAOOQZRFBUIALD-RCCFBDPRSA-N 1 3 353.507 1.678 20 30 FDEDHO CC(=O)N1CCCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329089905 676619304 /nfs/dbraw/zinc/61/93/04/676619304.db2.gz WIDTURZFTUXONC-SFHVURJKSA-N 1 3 350.507 1.903 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000527373820 694668824 /nfs/dbraw/zinc/66/88/24/694668824.db2.gz QQLWOLCWCIXPEK-UHFFFAOYSA-N 1 3 365.865 1.102 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C(C)C ZINC000659702641 789535707 /nfs/dbraw/zinc/53/57/07/789535707.db2.gz UNUNWWLHKRLUCS-FGTMMUONSA-N 1 3 364.534 1.387 20 30 FDEDHO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261931062 811346968 /nfs/dbraw/zinc/34/69/68/811346968.db2.gz BJIIUCFFADJUOR-MAUKXSAKSA-N 1 3 369.517 1.969 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000419736766 812160983 /nfs/dbraw/zinc/16/09/83/812160983.db2.gz XHHDHHYFXNEGMD-SJLPKXTDSA-N 1 3 362.518 1.134 20 30 FDEDHO C#CCCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087476907 818393757 /nfs/dbraw/zinc/39/37/57/818393757.db2.gz LRTDRCUDSSXVLR-GIVPXCGWSA-N 1 3 369.509 1.944 20 30 FDEDHO C#CCCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087476907 818393764 /nfs/dbraw/zinc/39/37/64/818393764.db2.gz LRTDRCUDSSXVLR-GIVPXCGWSA-N 1 3 369.509 1.944 20 30 FDEDHO CN(CCC(=O)Nc1ccccc1C#N)CC[N@H+](C)C1CCN(C)CC1 ZINC000267480903 822083369 /nfs/dbraw/zinc/08/33/69/822083369.db2.gz SNIIEYWQMNDPJI-UHFFFAOYSA-N 1 3 357.502 1.845 20 30 FDEDHO CN(CCC(=O)Nc1ccccc1C#N)CC[N@@H+](C)C1CCN(C)CC1 ZINC000267480903 822083382 /nfs/dbraw/zinc/08/33/82/822083382.db2.gz SNIIEYWQMNDPJI-UHFFFAOYSA-N 1 3 357.502 1.845 20 30 FDEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969251 824259909 /nfs/dbraw/zinc/25/99/09/824259909.db2.gz KNVFGUGDXWLGOL-MHTWAQMVSA-N 1 3 373.541 1.537 20 30 FDEDHO CN1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000329272088 824707826 /nfs/dbraw/zinc/70/78/26/824707826.db2.gz IKFSIRDBSJUUMN-OWYHZJEWSA-N 1 3 364.534 1.694 20 30 FDEDHO CN1CCC(C#N)(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000531054195 830547898 /nfs/dbraw/zinc/54/78/98/830547898.db2.gz QSZHIYXGAQPQOB-UHFFFAOYSA-N 1 3 355.486 1.152 20 30 FDEDHO C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312434 874749153 /nfs/dbraw/zinc/74/91/53/874749153.db2.gz HGSGQJBVXDLCCV-KZNAEPCWSA-N 1 3 366.550 1.435 20 30 FDEDHO C=CCC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259667 902296425 /nfs/dbraw/zinc/29/64/25/902296425.db2.gz MZWGOWRWKIQWIC-CEXWTWQISA-N 1 3 361.530 1.844 20 30 FDEDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1C#N ZINC001082559874 908615486 /nfs/dbraw/zinc/61/54/86/908615486.db2.gz RJXCBGFRRJALFT-DJKXOVBDSA-N 1 3 370.497 1.844 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001082719646 909816246 /nfs/dbraw/zinc/81/62/46/909816246.db2.gz ZMJDKCVXRQOSEZ-DNVCBOLYSA-N 1 3 370.497 1.845 20 30 FDEDHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082719785 909818820 /nfs/dbraw/zinc/81/88/20/909818820.db2.gz LZTMQWLTPQSSMG-AUUYWEPGSA-N 1 3 358.461 1.976 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734275257 923156446 /nfs/dbraw/zinc/15/64/46/923156446.db2.gz KVARAEOEHUMXCS-SFHVURJKSA-N 1 3 350.507 1.579 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586352 931773245 /nfs/dbraw/zinc/77/32/45/931773245.db2.gz VKYCLFJTUAUJAO-ZWOKBUDYSA-N 1 3 364.534 1.236 20 30 FDEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588277 933607908 /nfs/dbraw/zinc/60/79/08/933607908.db2.gz NHUDKZHDQCLNGW-PCCBWWKXSA-N 1 3 351.494 1.936 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000804892901 938610989 /nfs/dbraw/zinc/61/09/89/938610989.db2.gz ZXBJFJGJJVOBAC-UHFFFAOYSA-N 1 3 372.513 1.473 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131003812 940429904 /nfs/dbraw/zinc/42/99/04/940429904.db2.gz QWWHHINVYMCPGG-IXDOHACOSA-N 1 3 365.497 1.560 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070075 940484330 /nfs/dbraw/zinc/48/43/30/940484330.db2.gz DYFITKOILYBASR-KZNAEPCWSA-N 1 3 359.518 1.755 20 30 FDEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196251585 971568907 /nfs/dbraw/zinc/56/89/07/971568907.db2.gz LEJLBEJTGAGSIR-GUDVDZBRSA-N 1 3 369.550 1.619 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC001086882304 952913867 /nfs/dbraw/zinc/91/38/67/952913867.db2.gz KXNZDQXXEXYNSJ-WSTZPKSXSA-N 1 3 361.530 1.633 20 30 FDEDHO COc1ccc(CN2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193943 957751601 /nfs/dbraw/zinc/75/16/01/957751601.db2.gz QVJLVVTWBBBYDQ-HHXXYDBFSA-N 1 3 370.497 1.703 20 30 FDEDHO COc1ccc(CN2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193943 957751610 /nfs/dbraw/zinc/75/16/10/957751610.db2.gz QVJLVVTWBBBYDQ-HHXXYDBFSA-N 1 3 370.497 1.703 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](OCC)C2CC2)CC1 ZINC001110147226 958335216 /nfs/dbraw/zinc/33/52/16/958335216.db2.gz QGFHIAWGGOQCDK-IVAOSVALSA-N 1 3 373.541 1.868 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](OCC)C2CC2)CC1 ZINC001110147226 958335230 /nfs/dbraw/zinc/33/52/30/958335230.db2.gz QGFHIAWGGOQCDK-IVAOSVALSA-N 1 3 373.541 1.868 20 30 FDEDHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852889227 967692253 /nfs/dbraw/zinc/69/22/53/967692253.db2.gz QMXDBDUCBYODSR-HXUWFJFHSA-N 1 3 355.482 1.951 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000849081902 977307070 /nfs/dbraw/zinc/30/70/70/977307070.db2.gz PQNYPYYEWFGVPR-RRFJBIMHSA-N 1 3 364.494 1.344 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000363343688 989110967 /nfs/dbraw/zinc/11/09/67/989110967.db2.gz XUVHTQUMQJAUHS-HDICACEKSA-N 1 3 361.530 1.679 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000363343688 989110974 /nfs/dbraw/zinc/11/09/74/989110974.db2.gz XUVHTQUMQJAUHS-HDICACEKSA-N 1 3 361.530 1.679 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000876740273 992857499 /nfs/dbraw/zinc/85/74/99/992857499.db2.gz KGGMTDKPKOJPGT-HNNXBMFYSA-N 1 3 352.866 1.064 20 30 FDEDHO C#CCC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000888014422 998020242 /nfs/dbraw/zinc/02/02/42/998020242.db2.gz FFLNMTFYPZWTOE-UHFFFAOYSA-N 1 3 362.518 1.417 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000550121564 543012872 /nfs/dbraw/zinc/01/28/72/543012872.db2.gz MHBDLGBZLSILTH-UHFFFAOYSA-N 1 3 358.486 1.131 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000551217803 543253635 /nfs/dbraw/zinc/25/36/35/543253635.db2.gz WTHKBVNJIANZNF-FGTMMUONSA-N 1 3 364.534 1.400 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000551217803 543253637 /nfs/dbraw/zinc/25/36/37/543253637.db2.gz WTHKBVNJIANZNF-FGTMMUONSA-N 1 3 364.534 1.400 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000553395543 543625784 /nfs/dbraw/zinc/62/57/84/543625784.db2.gz KWTINMJSALPUKM-QGZVFWFLSA-N 1 3 364.534 1.333 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000553395543 543625788 /nfs/dbraw/zinc/62/57/88/543625788.db2.gz KWTINMJSALPUKM-QGZVFWFLSA-N 1 3 364.534 1.333 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000559777388 544794702 /nfs/dbraw/zinc/79/47/02/544794702.db2.gz WQOVJYKKTJTGOT-INIZCTEOSA-N 1 3 350.507 1.134 20 30 FDEDHO C#CCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000162471848 525266547 /nfs/dbraw/zinc/26/65/47/525266547.db2.gz ALXCHDXUKYJOFT-UHFFFAOYSA-N 1 3 355.482 1.987 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000104180142 525398382 /nfs/dbraw/zinc/39/83/82/525398382.db2.gz KPTOUOJGRWOTMJ-XLIONFOSSA-N 1 3 373.545 1.796 20 30 FDEDHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000119316580 525706012 /nfs/dbraw/zinc/70/60/12/525706012.db2.gz QJBYFIPNWGYKEO-FQEVSTJZSA-N 1 3 374.529 1.450 20 30 FDEDHO N#CCc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000591741253 551905282 /nfs/dbraw/zinc/90/52/82/551905282.db2.gz DIKHERHHEBKWGS-AZUAARDMSA-N 1 3 373.497 1.583 20 30 FDEDHO N#Cc1ccc(OC[C@@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844321 553649190 /nfs/dbraw/zinc/64/91/90/553649190.db2.gz AMQDUEQXYWDGHL-IBGZPJMESA-N 1 3 352.438 1.905 20 30 FDEDHO N#Cc1ccccc1OC[C@@H](O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848870 553650716 /nfs/dbraw/zinc/65/07/16/553650716.db2.gz OUVPNIAFAWHPRO-IBGZPJMESA-N 1 3 352.438 1.905 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCn1cc(Br)cn1 ZINC000286970755 675910716 /nfs/dbraw/zinc/91/07/16/675910716.db2.gz CBUNOHMOCZYFQP-CYBMUJFWSA-N 1 3 357.300 1.424 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(Cl)cc1 ZINC000303784020 676543161 /nfs/dbraw/zinc/54/31/61/676543161.db2.gz OWMONMDHOLRKLQ-OAHLLOKOSA-N 1 3 351.882 1.458 20 30 FDEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024444771 784706986 /nfs/dbraw/zinc/70/69/86/784706986.db2.gz CNEBMTYSWKXHGH-AQNXPRMDSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(C)C4)C[C@@H]32)CC1 ZINC001083283581 791182597 /nfs/dbraw/zinc/18/25/97/791182597.db2.gz JJGDAENNEHPRNA-ZYKFHVCXSA-N 1 3 359.514 1.289 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC4CC(C)C4)C[C@@H]32)CC1 ZINC001083283581 791182607 /nfs/dbraw/zinc/18/26/07/791182607.db2.gz JJGDAENNEHPRNA-ZYKFHVCXSA-N 1 3 359.514 1.289 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415995516 793472808 /nfs/dbraw/zinc/47/28/08/793472808.db2.gz NDJSJDRSYDBLQQ-HNNXBMFYSA-N 1 3 371.407 1.911 20 30 FDEDHO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367026566 814237443 /nfs/dbraw/zinc/23/74/43/814237443.db2.gz BDYPRBWYYPSGPT-HKUYNNGSSA-N 1 3 372.513 1.903 20 30 FDEDHO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000367026566 814237452 /nfs/dbraw/zinc/23/74/52/814237452.db2.gz BDYPRBWYYPSGPT-HKUYNNGSSA-N 1 3 372.513 1.903 20 30 FDEDHO C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000329190479 824659217 /nfs/dbraw/zinc/65/92/17/824659217.db2.gz QBRGKCUKVBJTHJ-SOLBZPMBSA-N 1 3 363.506 1.728 20 30 FDEDHO C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329190479 824659225 /nfs/dbraw/zinc/65/92/25/824659225.db2.gz QBRGKCUKVBJTHJ-SOLBZPMBSA-N 1 3 363.506 1.728 20 30 FDEDHO C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000329190479 824659227 /nfs/dbraw/zinc/65/92/27/824659227.db2.gz QBRGKCUKVBJTHJ-SOLBZPMBSA-N 1 3 363.506 1.728 20 30 FDEDHO C[NH+]=C(NCC(C)(C)N1CCC(OC)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262824433 831551913 /nfs/dbraw/zinc/55/19/13/831551913.db2.gz ZIAZDVNQKPNLTK-QGZVFWFLSA-N 1 3 363.550 1.397 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661061 842653867 /nfs/dbraw/zinc/65/38/67/842653867.db2.gz DHIOOZXMHXLFEH-HNBVOPMISA-N 1 3 351.535 1.870 20 30 FDEDHO C#CCN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CCN(C)CC1 ZINC000914025433 870379451 /nfs/dbraw/zinc/37/94/51/870379451.db2.gz QJPRUYAIXQNBKX-UHFFFAOYSA-N 1 3 372.513 1.866 20 30 FDEDHO C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250023 874131509 /nfs/dbraw/zinc/13/15/09/874131509.db2.gz WAUNZHWEUCPYLW-DFBGVHRSSA-N 1 3 358.324 1.919 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129003829 884990700 /nfs/dbraw/zinc/99/07/00/884990700.db2.gz IWQSMIXRSYXFSR-MLHJIOFPSA-N 1 3 360.506 1.316 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129003829 884990703 /nfs/dbraw/zinc/99/07/03/884990703.db2.gz IWQSMIXRSYXFSR-MLHJIOFPSA-N 1 3 360.506 1.316 20 30 FDEDHO CCCCCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204545 886370941 /nfs/dbraw/zinc/37/09/41/886370941.db2.gz IFFSFAKVXYVYHD-MSOLQXFVSA-N 1 3 364.538 1.932 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082559957 908616029 /nfs/dbraw/zinc/61/60/29/908616029.db2.gz UOQZLWORXMWANQ-ZNOIYHFQSA-N 1 3 358.461 1.974 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCc1cc(C#N)ccc1F ZINC001082559872 908616321 /nfs/dbraw/zinc/61/63/21/908616321.db2.gz RJBKGAJPSNTDNM-UPRAQXHNSA-N 1 3 358.461 1.974 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)CC1 ZINC001082941563 911017212 /nfs/dbraw/zinc/01/72/12/911017212.db2.gz XUOKQIMMFKKNPP-VQIMIIECSA-N 1 3 370.497 1.372 20 30 FDEDHO COc1ccc(C#N)cc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998794540 911692328 /nfs/dbraw/zinc/69/23/28/911692328.db2.gz ARMOXEQIOJOFQC-YOODTLSXSA-N 1 3 370.497 1.986 20 30 FDEDHO COc1ccc(C#N)cc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998794540 911692342 /nfs/dbraw/zinc/69/23/42/911692342.db2.gz ARMOXEQIOJOFQC-YOODTLSXSA-N 1 3 370.497 1.986 20 30 FDEDHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092957 920810463 /nfs/dbraw/zinc/81/04/63/920810463.db2.gz XRQYRBIKNQGDFZ-AQNXPRMDSA-N 1 3 352.482 1.933 20 30 FDEDHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092957 920810480 /nfs/dbraw/zinc/81/04/80/920810480.db2.gz XRQYRBIKNQGDFZ-AQNXPRMDSA-N 1 3 352.482 1.933 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCOC2)CC1 ZINC001085432971 924681221 /nfs/dbraw/zinc/68/12/21/924681221.db2.gz ZNRVAARRSUYYKT-MISYRCLQSA-N 1 3 361.530 1.775 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453823 938420981 /nfs/dbraw/zinc/42/09/81/938420981.db2.gz KUAWWCLAAZFIFA-MSOLQXFVSA-N 1 3 360.506 1.462 20 30 FDEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001130009363 938626146 /nfs/dbraw/zinc/62/61/46/938626146.db2.gz LDBPQBOAEJFZHK-SQNIBIBYSA-N 1 3 364.538 1.930 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131007666 940433885 /nfs/dbraw/zinc/43/38/85/940433885.db2.gz FGVNXGPMSYNGEA-GUDVDZBRSA-N 1 3 371.529 1.590 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131007666 940433888 /nfs/dbraw/zinc/43/38/88/940433888.db2.gz FGVNXGPMSYNGEA-GUDVDZBRSA-N 1 3 371.529 1.590 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131054135 940480936 /nfs/dbraw/zinc/48/09/36/940480936.db2.gz TXFSARFCHMADQZ-IPMKNSEASA-N 1 3 371.529 1.449 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131054135 940480938 /nfs/dbraw/zinc/48/09/38/940480938.db2.gz TXFSARFCHMADQZ-IPMKNSEASA-N 1 3 371.529 1.449 20 30 FDEDHO C[NH2+]CCCc1[nH]nc(NC(=O)C2C[C@H](c3ccccc3)OC2=O)c1C#N ZINC000809579369 940859188 /nfs/dbraw/zinc/85/91/88/940859188.db2.gz BOXXWCZRBMVKOH-CZUORRHYSA-N 1 3 367.409 1.676 20 30 FDEDHO C=CCN(CC(=O)OCC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000816954662 942401185 /nfs/dbraw/zinc/40/11/85/942401185.db2.gz HLZMQSOXACFROX-UHFFFAOYSA-N 1 3 365.518 1.760 20 30 FDEDHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000817656116 942864239 /nfs/dbraw/zinc/86/42/39/942864239.db2.gz AODMPDGQWFEZAF-FQEVSTJZSA-N 1 3 370.497 1.610 20 30 FDEDHO CCN1CCC([N@H+]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000817656116 942864244 /nfs/dbraw/zinc/86/42/44/942864244.db2.gz AODMPDGQWFEZAF-FQEVSTJZSA-N 1 3 370.497 1.610 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090878172 947547146 /nfs/dbraw/zinc/54/71/46/947547146.db2.gz KYDPPJCLPQSMLD-VQTJNVASSA-N 1 3 355.482 1.554 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnn3C)C2)CC1 ZINC001086882375 952913955 /nfs/dbraw/zinc/91/39/55/952913955.db2.gz OGOCZTANYSPAOK-FUHWJXTLSA-N 1 3 357.502 1.140 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccnc3)C2)CC1 ZINC001086882511 952914279 /nfs/dbraw/zinc/91/42/79/952914279.db2.gz UGWSNIGZOAJCRN-FXAWDEMLSA-N 1 3 354.498 1.801 20 30 FDEDHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273994 954660193 /nfs/dbraw/zinc/66/01/93/954660193.db2.gz YNVRBJSFEGKNAA-SBHAEUEKSA-N 1 3 352.482 1.790 20 30 FDEDHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273994 954660197 /nfs/dbraw/zinc/66/01/97/954660197.db2.gz YNVRBJSFEGKNAA-SBHAEUEKSA-N 1 3 352.482 1.790 20 30 FDEDHO C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132858 957616219 /nfs/dbraw/zinc/61/62/19/957616219.db2.gz CTGPJHHNYGNRNX-IEBWSBKVSA-N 1 3 369.484 1.957 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nccnc3C)[C@H](C)C2)CC1 ZINC001094240094 960159259 /nfs/dbraw/zinc/15/92/59/960159259.db2.gz ODUKAQDJNQWHEM-VQIMIIECSA-N 1 3 369.513 1.314 20 30 FDEDHO O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000852869803 967675488 /nfs/dbraw/zinc/67/54/88/967675488.db2.gz MCNDVHUZHXMCKA-UHFFFAOYSA-N 1 3 355.482 1.263 20 30 FDEDHO Cc1ccc(CN2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1 ZINC000884465911 983171400 /nfs/dbraw/zinc/17/14/00/983171400.db2.gz MSCDJKMVNZQOQQ-LSNYBQGISA-N 1 3 352.482 1.825 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000286354444 999943969 /nfs/dbraw/zinc/94/39/69/999943969.db2.gz BPQMZNXMCPFTAX-QGZVFWFLSA-N 1 3 372.513 1.390 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000303887006 1009674119 /nfs/dbraw/zinc/67/41/19/1009674119.db2.gz KQFJZUDJTPJNIJ-AZUAARDMSA-N 1 3 372.561 1.586 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000303887008 1009674441 /nfs/dbraw/zinc/67/44/41/1009674441.db2.gz KQFJZUDJTPJNIJ-ICSRJNTNSA-N 1 3 372.561 1.586 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)N1CCc2ccccc21 ZINC000304764667 1010490224 /nfs/dbraw/zinc/49/02/24/1010490224.db2.gz YITVXNZDLINRPZ-QGZVFWFLSA-N 1 3 357.502 1.745 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000556643403 544167447 /nfs/dbraw/zinc/16/74/47/544167447.db2.gz QEJVMVQFJFRECJ-UHFFFAOYSA-N 1 3 350.507 1.132 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCOCC2)c1 ZINC000104164648 525398077 /nfs/dbraw/zinc/39/80/77/525398077.db2.gz UJZZALBKVRHCJM-LJQANCHMSA-N 1 3 359.518 1.407 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000104923864 525451811 /nfs/dbraw/zinc/45/18/11/525451811.db2.gz BWNQRSBZSJLNCC-UHFFFAOYSA-N 1 3 369.509 1.605 20 30 FDEDHO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000247288327 537103789 /nfs/dbraw/zinc/10/37/89/537103789.db2.gz SYCFYAYXDQHRGG-FXAWDEMLSA-N 1 3 354.498 1.753 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000303977049 537598426 /nfs/dbraw/zinc/59/84/26/537598426.db2.gz KTLCALJSSAEPSF-CQSZACIVSA-N 1 3 357.462 1.369 20 30 FDEDHO C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCN1C ZINC000330230106 537652912 /nfs/dbraw/zinc/65/29/12/537652912.db2.gz QKOAVOPSXKXKPA-DDBAPUKQSA-N 1 3 352.523 1.693 20 30 FDEDHO CN(c1ccccc1CNCCn1cnc(C#N)n1)C1CC[NH+](C)CC1 ZINC000285644458 537741136 /nfs/dbraw/zinc/74/11/36/537741136.db2.gz XZHKIPOOFKWJFE-UHFFFAOYSA-N 1 3 353.474 1.470 20 30 FDEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986283 547145406 /nfs/dbraw/zinc/14/54/06/547145406.db2.gz PYXNFCKHVJXQFY-GOSISDBHSA-N 1 3 355.490 1.449 20 30 FDEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986283 547145408 /nfs/dbraw/zinc/14/54/08/547145408.db2.gz PYXNFCKHVJXQFY-GOSISDBHSA-N 1 3 355.490 1.449 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000583221554 551321109 /nfs/dbraw/zinc/32/11/09/551321109.db2.gz YNVGQHLOBBPZOM-QGZVFWFLSA-N 1 3 366.550 1.626 20 30 FDEDHO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000591741259 551905455 /nfs/dbraw/zinc/90/54/55/551905455.db2.gz DIKHERHHEBKWGS-ICSRJNTNSA-N 1 3 373.497 1.583 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594437896 552309689 /nfs/dbraw/zinc/30/96/89/552309689.db2.gz LJEDHOXWLZDNQB-SJLPKXTDSA-N 1 3 371.485 1.734 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594437896 552309690 /nfs/dbraw/zinc/30/96/90/552309690.db2.gz LJEDHOXWLZDNQB-SJLPKXTDSA-N 1 3 371.485 1.734 20 30 FDEDHO C=C(CNC(=O)[C@@H]1CCCN1CCC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000620747887 555978842 /nfs/dbraw/zinc/97/88/42/555978842.db2.gz IEQMGCJRTNZFQH-ROUUACIJSA-N 1 3 364.534 1.524 20 30 FDEDHO C=C(CNC(=O)[C@@H]1CCCN1CCC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000620747887 555978846 /nfs/dbraw/zinc/97/88/46/555978846.db2.gz IEQMGCJRTNZFQH-ROUUACIJSA-N 1 3 364.534 1.524 20 30 FDEDHO CCN1CCN(Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)CC1 ZINC000104166044 671594824 /nfs/dbraw/zinc/59/48/24/671594824.db2.gz YQIWRLPMQHSRDQ-UHFFFAOYSA-N 1 3 361.559 1.688 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](O)C(C)(C)C3)CC2)CC1 ZINC000329414840 676637759 /nfs/dbraw/zinc/63/77/59/676637759.db2.gz FFDWRBIJCSHGRN-QGZVFWFLSA-N 1 3 352.523 1.552 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000369463331 677505563 /nfs/dbraw/zinc/50/55/63/677505563.db2.gz NZPZUUZLZYCVOY-INIZCTEOSA-N 1 3 350.507 1.532 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374616313 678088457 /nfs/dbraw/zinc/08/84/57/678088457.db2.gz YYQSVPZMHORJIA-ROUUACIJSA-N 1 3 350.551 1.900 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374616313 678088462 /nfs/dbraw/zinc/08/84/62/678088462.db2.gz YYQSVPZMHORJIA-ROUUACIJSA-N 1 3 350.551 1.900 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294610 773895037 /nfs/dbraw/zinc/89/50/37/773895037.db2.gz TWJDVIQOKYBWRL-BRWVUGGUSA-N 1 3 364.534 1.236 20 30 FDEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104363009 777482374 /nfs/dbraw/zinc/48/23/74/777482374.db2.gz UTHXWBJETIDLJW-HZPDHXFCSA-N 1 3 352.523 1.093 20 30 FDEDHO CC(C)N1CC[NH+](C2CCN(C([O-])=[NH+][C@H]3CCn4ccnc4C3)CC2)CC1 ZINC000330250643 806001685 /nfs/dbraw/zinc/00/16/85/806001685.db2.gz HHFSATOFHYFTSR-KRWDZBQOSA-N 1 3 374.533 1.602 20 30 FDEDHO CCCN1CCN(c2ccccc2C[NH2+]CCn2cnc(C#N)n2)CC1 ZINC000512856524 810327607 /nfs/dbraw/zinc/32/76/07/810327607.db2.gz MVTKGPBIKUEZAF-UHFFFAOYSA-N 1 3 353.474 1.472 20 30 FDEDHO CCC([NH3+])(CC)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000420083656 813444082 /nfs/dbraw/zinc/44/40/82/813444082.db2.gz UIDQGVLLYWOVOG-UHFFFAOYSA-N 1 3 373.501 1.082 20 30 FDEDHO C=CCN1CCC(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525510079 828634974 /nfs/dbraw/zinc/63/49/74/828634974.db2.gz XEAHCPSIJNXJTE-OAQYLSRUSA-N 1 3 372.513 1.573 20 30 FDEDHO C=CCN1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525510079 828634981 /nfs/dbraw/zinc/63/49/81/828634981.db2.gz XEAHCPSIJNXJTE-OAQYLSRUSA-N 1 3 372.513 1.573 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(N(C)C)CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637064 842270404 /nfs/dbraw/zinc/27/04/04/842270404.db2.gz IXXKPGUDPUMATN-SOAMZJECSA-N 1 3 361.530 1.460 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661376 842689825 /nfs/dbraw/zinc/68/98/25/842689825.db2.gz IEHMQYZPFWSWNK-LFGUQSLTSA-N 1 3 351.535 1.870 20 30 FDEDHO C#CCN(C(=O)C(=O)N1CCC(CC)([NH+]2CCC2)CC1)C1CCN(C)CC1 ZINC000910882815 857832086 /nfs/dbraw/zinc/83/20/86/857832086.db2.gz IKEAGOMYDACTBJ-UHFFFAOYSA-N 1 3 374.529 1.019 20 30 FDEDHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC2(c3cccc(C#N)c3)CC2)C1 ZINC000271751818 869105317 /nfs/dbraw/zinc/10/53/17/869105317.db2.gz FWBKVGHPMTZAMQ-LJQANCHMSA-N 1 3 370.497 1.610 20 30 FDEDHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNC2(c3cccc(C#N)c3)CC2)C1 ZINC000271751818 869105327 /nfs/dbraw/zinc/10/53/27/869105327.db2.gz FWBKVGHPMTZAMQ-LJQANCHMSA-N 1 3 370.497 1.610 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137575 883111408 /nfs/dbraw/zinc/11/14/08/883111408.db2.gz RUEOBQRYLONAGP-MLYOOKFZSA-N 1 3 364.534 1.416 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137575 883111416 /nfs/dbraw/zinc/11/14/16/883111416.db2.gz RUEOBQRYLONAGP-MLYOOKFZSA-N 1 3 364.534 1.416 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795200 896815271 /nfs/dbraw/zinc/81/52/71/896815271.db2.gz MMZNBKAGMOTAGL-WCIQWLHISA-N 1 3 357.498 1.459 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795200 896815284 /nfs/dbraw/zinc/81/52/84/896815284.db2.gz MMZNBKAGMOTAGL-WCIQWLHISA-N 1 3 357.498 1.459 20 30 FDEDHO C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042410 900056594 /nfs/dbraw/zinc/05/65/94/900056594.db2.gz LQVDZRBYCMBKGO-QZTJIDSGSA-N 1 3 364.534 1.211 20 30 FDEDHO C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146240 901964015 /nfs/dbraw/zinc/96/40/15/901964015.db2.gz ACBJRDKLEQNBOH-WOJBJXKFSA-N 1 3 369.509 1.732 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1c1ccccc1 ZINC001081118698 907224216 /nfs/dbraw/zinc/22/42/16/907224216.db2.gz RDEJRXNSZIEGTF-AZUAARDMSA-N 1 3 365.481 1.276 20 30 FDEDHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3ccc(C#N)cc3F)C2)C1 ZINC001082742466 909945103 /nfs/dbraw/zinc/94/51/03/909945103.db2.gz GWWNUMPAOSJDLH-SPYBWZPUSA-N 1 3 358.461 1.976 20 30 FDEDHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3ccc(C#N)cc3F)C2)C1 ZINC001082742466 909945108 /nfs/dbraw/zinc/94/51/08/909945108.db2.gz GWWNUMPAOSJDLH-SPYBWZPUSA-N 1 3 358.461 1.976 20 30 FDEDHO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H](OC)C1 ZINC001212406551 911423931 /nfs/dbraw/zinc/42/39/31/911423931.db2.gz XVCFQIDSVOLING-CEXWTWQISA-N 1 3 365.518 1.411 20 30 FDEDHO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H](OC)C1 ZINC001212406551 911423943 /nfs/dbraw/zinc/42/39/43/911423943.db2.gz XVCFQIDSVOLING-CEXWTWQISA-N 1 3 365.518 1.411 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406551 911423954 /nfs/dbraw/zinc/42/39/54/911423954.db2.gz XVCFQIDSVOLING-CEXWTWQISA-N 1 3 365.518 1.411 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406551 911423963 /nfs/dbraw/zinc/42/39/63/911423963.db2.gz XVCFQIDSVOLING-CEXWTWQISA-N 1 3 365.518 1.411 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCCCO4)C[C@H]32)CC1 ZINC001084851163 917659159 /nfs/dbraw/zinc/65/91/59/917659159.db2.gz PLKKFLGWWRHGEK-VAMGGRTRSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCCCO4)C[C@H]32)CC1 ZINC001084851163 917659164 /nfs/dbraw/zinc/65/91/64/917659164.db2.gz PLKKFLGWWRHGEK-VAMGGRTRSA-N 1 3 359.514 1.433 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012308 938614905 /nfs/dbraw/zinc/61/49/05/938614905.db2.gz ZSQBMFHYDWNLIL-SJORKVTESA-N 1 3 362.522 1.564 20 30 FDEDHO C=CCN[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]1n1ccnn1 ZINC001130083844 938665336 /nfs/dbraw/zinc/66/53/36/938665336.db2.gz MLTOULPVRQXNSL-MSOLQXFVSA-N 1 3 362.522 1.708 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070306 940484436 /nfs/dbraw/zinc/48/44/36/940484436.db2.gz ONGJEJZFRYHMFC-RCCFBDPRSA-N 1 3 359.518 1.755 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1cnn(C)c1 ZINC001087010709 953102419 /nfs/dbraw/zinc/10/24/19/953102419.db2.gz NJPZMHWBIVPFDQ-OTWHNJEPSA-N 1 3 359.518 1.755 20 30 FDEDHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273996 954660814 /nfs/dbraw/zinc/66/08/14/954660814.db2.gz YNVRBJSFEGKNAA-ZVDOUQERSA-N 1 3 352.482 1.790 20 30 FDEDHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273996 954660822 /nfs/dbraw/zinc/66/08/22/954660822.db2.gz YNVRBJSFEGKNAA-ZVDOUQERSA-N 1 3 352.482 1.790 20 30 FDEDHO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(OCC#N)cc1 ZINC001095240857 962523592 /nfs/dbraw/zinc/52/35/92/962523592.db2.gz HARCXSRVIXNQAJ-GTAWCEEGSA-N 1 3 368.481 1.905 20 30 FDEDHO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(OCC#N)cc1 ZINC001095240857 962523610 /nfs/dbraw/zinc/52/36/10/962523610.db2.gz HARCXSRVIXNQAJ-GTAWCEEGSA-N 1 3 368.481 1.905 20 30 FDEDHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001095240857 962523619 /nfs/dbraw/zinc/52/36/19/962523619.db2.gz HARCXSRVIXNQAJ-GTAWCEEGSA-N 1 3 368.481 1.905 20 30 FDEDHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001095240857 962523639 /nfs/dbraw/zinc/52/36/39/962523639.db2.gz HARCXSRVIXNQAJ-GTAWCEEGSA-N 1 3 368.481 1.905 20 30 FDEDHO C=C(CN1CCCC1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001183042731 962754477 /nfs/dbraw/zinc/75/44/77/962754477.db2.gz BUQSKQFIAYDUAW-NSHGMRRFSA-N 1 3 370.497 1.834 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCC(C)C)C[C@H]32)CC1 ZINC001190318717 967732174 /nfs/dbraw/zinc/73/21/74/967732174.db2.gz SWODODSXPLIVOS-VQTJNVASSA-N 1 3 361.530 1.537 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCC(C)C)C[C@H]32)CC1 ZINC001190318717 967732186 /nfs/dbraw/zinc/73/21/86/967732186.db2.gz SWODODSXPLIVOS-VQTJNVASSA-N 1 3 361.530 1.537 20 30 FDEDHO C=CCC1(O)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000884124168 982906218 /nfs/dbraw/zinc/90/62/18/982906218.db2.gz PHXXQZKQVZFASU-UHFFFAOYSA-N 1 3 364.534 1.658 20 30 FDEDHO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1(N3CCSCC3)CCCC1)C2 ZINC000884193439 982969715 /nfs/dbraw/zinc/96/97/15/982969715.db2.gz GIPIRBOCKQQSIQ-PQUAAJSLSA-N 1 3 362.543 1.604 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000875182353 991022134 /nfs/dbraw/zinc/02/21/34/991022134.db2.gz LSQJNGHRLRBDGT-UHFFFAOYSA-N 1 3 350.507 1.086 20 30 FDEDHO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2NCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876716780 992825939 /nfs/dbraw/zinc/82/59/39/992825939.db2.gz NCCSZKZFRRLFBW-KHYOSLBOSA-N 1 3 356.470 1.361 20 30 FDEDHO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2NCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876716780 992825948 /nfs/dbraw/zinc/82/59/48/992825948.db2.gz NCCSZKZFRRLFBW-KHYOSLBOSA-N 1 3 356.470 1.361 20 30 FDEDHO CC[C@@H]1C[N@H+](Cc2cc(C#N)cc(CN3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000878322071 993906166 /nfs/dbraw/zinc/90/61/66/993906166.db2.gz WFZNGDYGJBNVFQ-WOZUAGRISA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cc(CN3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000878322071 993906168 /nfs/dbraw/zinc/90/61/68/993906168.db2.gz WFZNGDYGJBNVFQ-WOZUAGRISA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1CN(Cc2cc(C#N)cc(C[N@@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000878322071 993906172 /nfs/dbraw/zinc/90/61/72/993906172.db2.gz WFZNGDYGJBNVFQ-WOZUAGRISA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1CN(Cc2cc(C#N)cc(C[N@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000878322071 993906178 /nfs/dbraw/zinc/90/61/78/993906178.db2.gz WFZNGDYGJBNVFQ-WOZUAGRISA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000878485450 993979455 /nfs/dbraw/zinc/97/94/55/993979455.db2.gz OHFUZBGNCWDVNF-IFCLKOLQSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000878485450 993979459 /nfs/dbraw/zinc/97/94/59/993979459.db2.gz OHFUZBGNCWDVNF-IFCLKOLQSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000878485450 993979462 /nfs/dbraw/zinc/97/94/62/993979462.db2.gz OHFUZBGNCWDVNF-IFCLKOLQSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000878485450 993979465 /nfs/dbraw/zinc/97/94/65/993979465.db2.gz OHFUZBGNCWDVNF-IFCLKOLQSA-N 1 3 357.498 1.964 20 30 FDEDHO CN1CCN(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000879591834 995059953 /nfs/dbraw/zinc/05/99/53/995059953.db2.gz UPBDENMXHQJTLO-UHFFFAOYSA-N 1 3 361.515 1.660 20 30 FDEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(C)C ZINC000654379657 1015953235 /nfs/dbraw/zinc/95/32/35/1015953235.db2.gz HLPMJYWUNHAEBN-KSZLIROESA-N 1 3 350.507 1.145 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@]1(COC)OCCc2ccccc21 ZINC000290691927 1000153531 /nfs/dbraw/zinc/15/35/31/1000153531.db2.gz RETHJARLCRZXTB-FXAWDEMLSA-N 1 3 360.502 1.490 20 30 FDEDHO COc1cccc(NC(=[NH2+])NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000303894425 1009679163 /nfs/dbraw/zinc/67/91/63/1009679163.db2.gz OUJAUXWIMLHUMI-GOSISDBHSA-N 1 3 354.454 1.841 20 30 FDEDHO COc1cccc(NC(=[NH2+])NCc2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000303974258 1009786110 /nfs/dbraw/zinc/78/61/10/1009786110.db2.gz HUYLUMIFRLPATJ-UHFFFAOYSA-N 1 3 369.469 1.913 20 30 FDEDHO C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000331379046 259190963 /nfs/dbraw/zinc/19/09/63/259190963.db2.gz FRDXQRRDIPJRNH-YLJYHZDGSA-N 1 3 369.513 1.845 20 30 FDEDHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)CC2)C[C@@H](C)O1 ZINC000568090195 548394118 /nfs/dbraw/zinc/39/41/18/548394118.db2.gz WYLRBRMFOYENGN-NUJGCVRESA-N 1 3 372.517 1.618 20 30 FDEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H](O)CN(C)CCC#N ZINC000577602691 550673844 /nfs/dbraw/zinc/67/38/44/550673844.db2.gz JZYYXBBOJFJLAA-GGPKGHCWSA-N 1 3 358.530 1.939 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000580478791 550986688 /nfs/dbraw/zinc/98/66/88/550986688.db2.gz ZGIRPWRELMQWPZ-UHFFFAOYSA-N 1 3 364.534 1.476 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000581775472 551134542 /nfs/dbraw/zinc/13/45/42/551134542.db2.gz SVKDGTFKVVHMBY-UHFFFAOYSA-N 1 3 364.534 1.524 20 30 FDEDHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1C#N ZINC000599336099 553030559 /nfs/dbraw/zinc/03/05/59/553030559.db2.gz GFEWVOTZVQGHNJ-IBGZPJMESA-N 1 3 360.502 1.256 20 30 FDEDHO COC1([C@@H](C)NCC#CC[NH2+][C@@H](C)C2(OC)CCOCC2)CCOCC1 ZINC000625483988 556823786 /nfs/dbraw/zinc/82/37/86/556823786.db2.gz YYFPQXJFZNNCKC-HDICACEKSA-N 1 3 368.518 1.337 20 30 FDEDHO COC1([C@@H](C)[NH2+]CC#CCN[C@@H](C)C2(OC)CCOCC2)CCOCC1 ZINC000625483988 556823787 /nfs/dbraw/zinc/82/37/87/556823787.db2.gz YYFPQXJFZNNCKC-HDICACEKSA-N 1 3 368.518 1.337 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)N2CCCCC2)CC1 ZINC000104155080 671594418 /nfs/dbraw/zinc/59/44/18/671594418.db2.gz ZPBBFQGQSPAYAC-UHFFFAOYSA-N 1 3 353.511 1.776 20 30 FDEDHO CCC(=O)N1CC[C@H](NC(NC[C@]2(N(C)C)CCC[C@@H](C)C2)=[NH+]C)C1 ZINC000261949652 672700259 /nfs/dbraw/zinc/70/02/59/672700259.db2.gz GZXMLRJYYBCHDK-GJYPPUQNSA-N 1 3 351.539 1.673 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000419571976 680280400 /nfs/dbraw/zinc/28/04/00/680280400.db2.gz PWADIGOCWQVCET-IXDOHACOSA-N 1 3 350.507 1.187 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000527124141 694655051 /nfs/dbraw/zinc/65/50/51/694655051.db2.gz DEAMNMBNTLTIOW-UHFFFAOYSA-N 1 3 365.865 1.102 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892472830 784905408 /nfs/dbraw/zinc/90/54/08/784905408.db2.gz GYBQSERJRNPRLQ-UHFFFAOYSA-N 1 3 355.486 1.998 20 30 FDEDHO C=CC[C@]1(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662721540 802908413 /nfs/dbraw/zinc/90/84/13/802908413.db2.gz YIHWFBDTMCALBG-JOCHJYFZSA-N 1 3 370.541 1.961 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001211667065 803393433 /nfs/dbraw/zinc/39/34/33/803393433.db2.gz UGYSSZSGKGJUQQ-LEWJYISDSA-N 1 3 369.509 1.562 20 30 FDEDHO Cc1ccn(C)c(=O)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000328611773 819517591 /nfs/dbraw/zinc/51/75/91/819517591.db2.gz OTYGYJLJUVTMOQ-UHFFFAOYSA-N 1 3 361.490 1.578 20 30 FDEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047149 825590299 /nfs/dbraw/zinc/59/02/99/825590299.db2.gz IPRUKTCUSSCDCO-DXWXDBEXSA-N 1 3 359.514 1.596 20 30 FDEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047149 825590304 /nfs/dbraw/zinc/59/03/04/825590304.db2.gz IPRUKTCUSSCDCO-DXWXDBEXSA-N 1 3 359.514 1.596 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](O)C34CCCC4)CC2)CC1 ZINC000330360908 825982620 /nfs/dbraw/zinc/98/26/20/825982620.db2.gz XRVLMPQKUNRPEM-SFHVURJKSA-N 1 3 364.534 1.838 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000264065579 838333703 /nfs/dbraw/zinc/33/37/03/838333703.db2.gz BAGVOLAZYZJPJM-IAGOWNOFSA-N 1 3 359.518 1.910 20 30 FDEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)CC(C)(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105655781 842479169 /nfs/dbraw/zinc/47/91/69/842479169.db2.gz KXQUCGNXRMYINP-REHHDOPLSA-N 1 3 363.546 1.564 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672771 845214373 /nfs/dbraw/zinc/21/43/73/845214373.db2.gz DGPYXOGLRRXPTP-HNBVOPMISA-N 1 3 351.535 1.869 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105676281 845886812 /nfs/dbraw/zinc/88/68/12/845886812.db2.gz VDQGICHYKAISMG-LFGUQSLTSA-N 1 3 351.535 1.869 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480979214 845996000 /nfs/dbraw/zinc/99/60/00/845996000.db2.gz LOKIPFHJJLFDFR-BBWFWOEESA-N 1 3 364.534 1.236 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480979214 845996001 /nfs/dbraw/zinc/99/60/01/845996001.db2.gz LOKIPFHJJLFDFR-BBWFWOEESA-N 1 3 364.534 1.236 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](OC)C3CCC3)[C@@H]2C)CC1 ZINC001089059158 866382129 /nfs/dbraw/zinc/38/21/29/866382129.db2.gz BMAFCJIXJFGDTJ-LSTHTHJFSA-N 1 3 361.530 1.726 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](OC)C3CCC3)[C@@H]2C)CC1 ZINC001089059158 866382139 /nfs/dbraw/zinc/38/21/39/866382139.db2.gz BMAFCJIXJFGDTJ-LSTHTHJFSA-N 1 3 361.530 1.726 20 30 FDEDHO C=C(C)CNCc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128106954 896958109 /nfs/dbraw/zinc/95/81/09/896958109.db2.gz JUSUWEMAMWEOJX-BHIYHBOVSA-N 1 3 371.529 1.782 20 30 FDEDHO C=C(C)CNCc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128106954 896958111 /nfs/dbraw/zinc/95/81/11/896958111.db2.gz JUSUWEMAMWEOJX-BHIYHBOVSA-N 1 3 371.529 1.782 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079252863 902275673 /nfs/dbraw/zinc/27/56/73/902275673.db2.gz RROPYDOYAMKGNF-ZCNNSNEGSA-N 1 3 371.525 1.433 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079262867 902303513 /nfs/dbraw/zinc/30/35/13/902303513.db2.gz DVBMKSHCBPOABY-RBUKOAKNSA-N 1 3 359.514 1.291 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243294 902342380 /nfs/dbraw/zinc/34/23/80/902342380.db2.gz XFYPYFIXVFGXQU-AKHDSKFASA-N 1 3 359.514 1.289 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243294 902342391 /nfs/dbraw/zinc/34/23/91/902342391.db2.gz XFYPYFIXVFGXQU-AKHDSKFASA-N 1 3 359.514 1.289 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643224 906217040 /nfs/dbraw/zinc/21/70/40/906217040.db2.gz AZLVTZALHVGQEM-TZIWHRDSSA-N 1 3 361.530 1.873 20 30 FDEDHO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NCc1cc(C#N)ccc1F ZINC001082742860 909948729 /nfs/dbraw/zinc/94/87/29/909948729.db2.gz UWKOKILOCFVTIU-QMTMVMCOSA-N 1 3 358.461 1.976 20 30 FDEDHO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NCc1cc(C#N)ccc1F ZINC001082742860 909948736 /nfs/dbraw/zinc/94/87/36/909948736.db2.gz UWKOKILOCFVTIU-QMTMVMCOSA-N 1 3 358.461 1.976 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044112 938643363 /nfs/dbraw/zinc/64/33/63/938643363.db2.gz QMJKAHHAOMJLHI-MSOLQXFVSA-N 1 3 362.522 1.708 20 30 FDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001131079439 940492199 /nfs/dbraw/zinc/49/21/99/940492199.db2.gz LLKVTPUSXKBVGG-USXIJHARSA-N 1 3 356.474 1.625 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001144417733 949063778 /nfs/dbraw/zinc/06/37/78/949063778.db2.gz HSEZTBLLCLFNHV-OAQYLSRUSA-N 1 3 357.498 1.780 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001144417733 949063797 /nfs/dbraw/zinc/06/37/97/949063797.db2.gz HSEZTBLLCLFNHV-OAQYLSRUSA-N 1 3 357.498 1.780 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=C)C)C2)CC1 ZINC001087010848 953102284 /nfs/dbraw/zinc/10/22/84/953102284.db2.gz UOVQDPZHUOHKTH-VQTJNVASSA-N 1 3 369.513 1.225 20 30 FDEDHO C[C@@]12CN(Cc3cccc(C#N)c3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001092203370 954530656 /nfs/dbraw/zinc/53/06/56/954530656.db2.gz LZJVAOMMEVFAOL-CTNGQTDRSA-N 1 3 364.493 1.934 20 30 FDEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)N3CCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093458899 958286975 /nfs/dbraw/zinc/28/69/75/958286975.db2.gz HURDAHYNLKLMFL-DCXXXQMHSA-N 1 3 361.530 1.460 20 30 FDEDHO C=C(C[NH+]1CCCC1)C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001183043697 962756954 /nfs/dbraw/zinc/75/69/54/962756954.db2.gz VYKQIZMOSYOFRZ-VQTJNVASSA-N 1 3 370.497 1.535 20 30 FDEDHO CN(C)C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2O1 ZINC000884232326 983006415 /nfs/dbraw/zinc/00/64/15/983006415.db2.gz OCTWKQOCKIUCPE-FZTQNYJHSA-N 1 3 354.454 1.482 20 30 FDEDHO N#Cc1ccccc1N1CCC([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873217951 988654119 /nfs/dbraw/zinc/65/41/19/988654119.db2.gz VPWVLHUMYGDRIN-MRXNPFEDSA-N 1 3 355.486 1.314 20 30 FDEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000876781568 992908264 /nfs/dbraw/zinc/90/82/64/992908264.db2.gz OWGUOBANEFTRJP-KRWDZBQOSA-N 1 3 350.894 1.520 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926255539 996001078 /nfs/dbraw/zinc/00/10/78/996001078.db2.gz RRSSFIBBRAWHAZ-BNDYYXHWSA-N 1 3 361.530 1.318 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926255539 996001088 /nfs/dbraw/zinc/00/10/88/996001088.db2.gz RRSSFIBBRAWHAZ-BNDYYXHWSA-N 1 3 361.530 1.318 20 30 FDEDHO C#CCN1CCC(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)CC1 ZINC000269409677 999467644 /nfs/dbraw/zinc/46/76/44/999467644.db2.gz HCLYACRWCDHGLO-SFHVURJKSA-N 1 3 355.486 1.506 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(COC)OCCc2ccccc21 ZINC000290691935 1000153491 /nfs/dbraw/zinc/15/34/91/1000153491.db2.gz RETHJARLCRZXTB-YLJYHZDGSA-N 1 3 360.502 1.490 20 30 FDEDHO CN(C)CC#CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000930030486 1002749886 /nfs/dbraw/zinc/74/98/86/1002749886.db2.gz LNVOJHUEQNORFC-UHFFFAOYSA-N 1 3 360.527 1.964 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550003092 542987401 /nfs/dbraw/zinc/98/74/01/542987401.db2.gz MWOLWMZATKZCHV-UHFFFAOYSA-N 1 3 350.507 1.134 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000551217897 543253488 /nfs/dbraw/zinc/25/34/88/543253488.db2.gz WTHKBVNJIANZNF-RCCFBDPRSA-N 1 3 364.534 1.400 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000551217897 543253491 /nfs/dbraw/zinc/25/34/91/543253491.db2.gz WTHKBVNJIANZNF-RCCFBDPRSA-N 1 3 364.534 1.400 20 30 FDEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000177376119 174126081 /nfs/dbraw/zinc/12/60/81/174126081.db2.gz OVPZUGSPACMRLS-UHFFFAOYSA-N 1 3 357.502 1.845 20 30 FDEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177376119 174126083 /nfs/dbraw/zinc/12/60/83/174126083.db2.gz OVPZUGSPACMRLS-UHFFFAOYSA-N 1 3 357.502 1.845 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000553669664 543677773 /nfs/dbraw/zinc/67/77/73/543677773.db2.gz YXYAIVLGOQPPHV-SFHVURJKSA-N 1 3 362.518 1.230 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000553672113 543678331 /nfs/dbraw/zinc/67/83/31/543678331.db2.gz LSECXNPLFFHBDD-KRWDZBQOSA-N 1 3 350.507 1.086 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000557767449 544343950 /nfs/dbraw/zinc/34/39/50/544343950.db2.gz NSHQYXNQLMJASC-IAGOWNOFSA-N 1 3 350.507 1.132 20 30 FDEDHO CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426923 260706830 /nfs/dbraw/zinc/70/68/30/260706830.db2.gz ZMMQDLJLBWKATD-HXUWFJFHSA-N 1 3 369.513 1.275 20 30 FDEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000074134995 522689459 /nfs/dbraw/zinc/68/94/59/522689459.db2.gz DAZUQPVJNYSZES-SFHVURJKSA-N 1 3 364.538 1.032 20 30 FDEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000074134995 522689468 /nfs/dbraw/zinc/68/94/68/522689468.db2.gz DAZUQPVJNYSZES-SFHVURJKSA-N 1 3 364.538 1.032 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccc(C#N)c3)CC2)CC1 ZINC000051277272 523006089 /nfs/dbraw/zinc/00/60/89/523006089.db2.gz GDCOEHLOGULHNH-UHFFFAOYSA-N 1 3 355.486 1.916 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)CNc3ccc(C#N)cc3)CC2)CC1 ZINC000051463900 523028839 /nfs/dbraw/zinc/02/88/39/523028839.db2.gz VLIGTVRAHISOTK-UHFFFAOYSA-N 1 3 355.486 1.645 20 30 FDEDHO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000116252099 525122706 /nfs/dbraw/zinc/12/27/06/525122706.db2.gz SYCFYAYXDQHRGG-PXNSSMCTSA-N 1 3 354.498 1.753 20 30 FDEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccccc1C#N ZINC000125557828 525214760 /nfs/dbraw/zinc/21/47/60/525214760.db2.gz SFCICZQHLLCPNB-GOSISDBHSA-N 1 3 358.486 1.812 20 30 FDEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccccc1C#N ZINC000125557828 525214768 /nfs/dbraw/zinc/21/47/68/525214768.db2.gz SFCICZQHLLCPNB-GOSISDBHSA-N 1 3 358.486 1.812 20 30 FDEDHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171657109 526062237 /nfs/dbraw/zinc/06/22/37/526062237.db2.gz UHNASOJMNXXNNR-UHFFFAOYSA-N 1 3 371.485 1.277 20 30 FDEDHO CCOC(=O)c1csc(CCNC(=[NH2+])NC[C@H]2CCCN2CC)n1 ZINC000189068260 536992400 /nfs/dbraw/zinc/99/24/00/536992400.db2.gz HXORURPASZSDEZ-GFCCVEGCSA-N 1 3 353.492 1.251 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)C(C)C ZINC000274863150 537533748 /nfs/dbraw/zinc/53/37/48/537533748.db2.gz QCJXVZJAPZZPQQ-LJQANCHMSA-N 1 3 366.550 1.783 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)C(C)C ZINC000274863150 537533759 /nfs/dbraw/zinc/53/37/59/537533759.db2.gz QCJXVZJAPZZPQQ-LJQANCHMSA-N 1 3 366.550 1.783 20 30 FDEDHO C=CCN1CC[C@@H](N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000369187620 538001954 /nfs/dbraw/zinc/00/19/54/538001954.db2.gz IVTRSXHEDFENFS-HXUWFJFHSA-N 1 3 362.562 1.901 20 30 FDEDHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000563140045 546421670 /nfs/dbraw/zinc/42/16/70/546421670.db2.gz AZRQFNHUDKWOHH-RTBURBONSA-N 1 3 361.486 1.175 20 30 FDEDHO COC(=O)c1ccc(NC2CCN(C3CC[NH+](C)CC3)CC2)c(C#N)n1 ZINC000566478041 547775025 /nfs/dbraw/zinc/77/50/25/547775025.db2.gz FRASVOIZEOOLJM-UHFFFAOYSA-N 1 3 357.458 1.710 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000575146237 550434439 /nfs/dbraw/zinc/43/44/39/550434439.db2.gz RDWMEUCXMWBWSU-KRWDZBQOSA-N 1 3 364.534 1.380 20 30 FDEDHO C[NH+]=C(NCCNC(C)(C)C)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262799352 672850818 /nfs/dbraw/zinc/85/08/18/672850818.db2.gz QLUDGASQAABHCK-UHFFFAOYSA-N 1 3 358.552 1.383 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNc1nccc(C(F)(F)F)n1 ZINC000267442233 673304578 /nfs/dbraw/zinc/30/45/78/673304578.db2.gz PFWRKBDNSQUHCH-NSHDSACASA-N 1 3 359.400 1.296 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OCC(F)(F)F)c1 ZINC000303872675 676543332 /nfs/dbraw/zinc/54/33/32/676543332.db2.gz CEFGFQYBZXAKOI-ZDUSSCGKSA-N 1 3 359.396 1.911 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000304749671 676544463 /nfs/dbraw/zinc/54/44/63/676544463.db2.gz HWZUJSIFOAXDON-CJNGLKHVSA-N 1 3 353.461 1.956 20 30 FDEDHO C=C(C)CN(CC)C(=O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371352779 677664216 /nfs/dbraw/zinc/66/42/16/677664216.db2.gz YOOAIYYJWJWQND-UHFFFAOYSA-N 1 3 350.551 1.901 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000892851371 791454217 /nfs/dbraw/zinc/45/42/17/791454217.db2.gz ILSBRQITXXDYPV-ZWKOTPCHSA-N 1 3 350.507 1.268 20 30 FDEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001105067085 795128946 /nfs/dbraw/zinc/12/89/46/795128946.db2.gz LXGMNHUEJXZPRG-KZNAEPCWSA-N 1 3 364.534 1.237 20 30 FDEDHO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262479376 811475833 /nfs/dbraw/zinc/47/58/33/811475833.db2.gz RAKGQRPQGUQZRP-GOSISDBHSA-N 1 3 367.501 1.903 20 30 FDEDHO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CC[C@H](N2CCCCC2)C1 ZINC000262479378 811476132 /nfs/dbraw/zinc/47/61/32/811476132.db2.gz RAKGQRPQGUQZRP-SFHVURJKSA-N 1 3 367.501 1.903 20 30 FDEDHO C=CCN(CC=C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420204400 813536434 /nfs/dbraw/zinc/53/64/34/813536434.db2.gz LTFIPQYQCNSLSB-UHFFFAOYSA-N 1 3 370.497 1.297 20 30 FDEDHO C[C@H](O)CN1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H]1C ZINC000330823852 819644683 /nfs/dbraw/zinc/64/46/83/819644683.db2.gz DXCMMVZCMSHTFR-GJZGRUSLSA-N 1 3 366.481 1.688 20 30 FDEDHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908630 823745619 /nfs/dbraw/zinc/74/56/19/823745619.db2.gz ILQXLOBSEGJWIX-HSALFYBXSA-N 1 3 352.482 1.933 20 30 FDEDHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908630 823745620 /nfs/dbraw/zinc/74/56/20/823745620.db2.gz ILQXLOBSEGJWIX-HSALFYBXSA-N 1 3 352.482 1.933 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000528431884 829400803 /nfs/dbraw/zinc/40/08/03/829400803.db2.gz NTHBTUZXIGEBFX-MISYRCLQSA-N 1 3 372.513 1.256 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000528431884 829400808 /nfs/dbraw/zinc/40/08/08/829400808.db2.gz NTHBTUZXIGEBFX-MISYRCLQSA-N 1 3 372.513 1.256 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(N(C)C)CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637063 842270568 /nfs/dbraw/zinc/27/05/68/842270568.db2.gz IXXKPGUDPUMATN-MLYOOKFZSA-N 1 3 361.530 1.460 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661063 842653723 /nfs/dbraw/zinc/65/37/23/842653723.db2.gz DHIOOZXMHXLFEH-JYBIWHBTSA-N 1 3 351.535 1.870 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668693 843831041 /nfs/dbraw/zinc/83/10/41/843831041.db2.gz MARUNIBXVUWWNT-HNBVOPMISA-N 1 3 351.535 1.870 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)CC1 ZINC000917137187 883109762 /nfs/dbraw/zinc/10/97/62/883109762.db2.gz MFPILXGLGBJZBF-GOSISDBHSA-N 1 3 364.534 1.922 20 30 FDEDHO C=CCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129080016 885689060 /nfs/dbraw/zinc/68/90/60/885689060.db2.gz MWSBNCHVMJLIAS-MSOLQXFVSA-N 1 3 369.473 1.117 20 30 FDEDHO C#CCC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259505 902294811 /nfs/dbraw/zinc/29/48/11/902294811.db2.gz DAVNMHXYCDZIQA-GBESFXJTSA-N 1 3 359.514 1.291 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]3COC[C@@H]32)CC1 ZINC001079270311 902328576 /nfs/dbraw/zinc/32/85/76/902328576.db2.gz LWEVCDIPQLCEOA-ZWKOTPCHSA-N 1 3 357.498 1.045 20 30 FDEDHO C#CCCNCc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001127888396 907487693 /nfs/dbraw/zinc/48/76/93/907487693.db2.gz NHWWLTDTTIPLDP-NZSAHSFTSA-N 1 3 370.497 1.514 20 30 FDEDHO C#CCCNCc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001127888396 907487709 /nfs/dbraw/zinc/48/77/09/907487709.db2.gz NHWWLTDTTIPLDP-NZSAHSFTSA-N 1 3 370.497 1.514 20 30 FDEDHO C#CCN(C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCN(C)CC1 ZINC000921533878 907639407 /nfs/dbraw/zinc/63/94/07/907639407.db2.gz YMGKYJFLYFDFGW-RBUKOAKNSA-N 1 3 362.518 1.103 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C)ns3)C2)CC1 ZINC001082941018 911015068 /nfs/dbraw/zinc/01/50/68/911015068.db2.gz JIHUEOQZSGDACO-RDTXWAMCSA-N 1 3 360.527 1.733 20 30 FDEDHO C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675656 916048404 /nfs/dbraw/zinc/04/84/04/916048404.db2.gz SSXZMVSHVVNZAC-MXEMCNAFSA-N 1 3 351.494 1.888 20 30 FDEDHO C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675656 916048422 /nfs/dbraw/zinc/04/84/22/916048422.db2.gz SSXZMVSHVVNZAC-MXEMCNAFSA-N 1 3 351.494 1.888 20 30 FDEDHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1 ZINC001112586171 931772177 /nfs/dbraw/zinc/77/21/77/931772177.db2.gz KUONVLDMAKDWOS-ZVDOUQERSA-N 1 3 361.530 1.729 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607429 939918596 /nfs/dbraw/zinc/91/85/96/939918596.db2.gz AATDHMSPBQJPIB-FUHWJXTLSA-N 1 3 359.518 1.755 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131007667 940434061 /nfs/dbraw/zinc/43/40/61/940434061.db2.gz FGVNXGPMSYNGEA-IPMKNSEASA-N 1 3 371.529 1.590 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131007667 940434064 /nfs/dbraw/zinc/43/40/64/940434064.db2.gz FGVNXGPMSYNGEA-IPMKNSEASA-N 1 3 371.529 1.590 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131042036 940471481 /nfs/dbraw/zinc/47/14/81/940471481.db2.gz JZEKFAGONDWNGM-IAGOWNOFSA-N 1 3 357.502 1.202 20 30 FDEDHO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131464219 940621738 /nfs/dbraw/zinc/62/17/38/940621738.db2.gz IICFXHHNNZSELM-QRVBRYPASA-N 1 3 365.518 1.269 20 30 FDEDHO C[NH2+]CCCc1[nH]nc(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)c1C#N ZINC000809579367 940859328 /nfs/dbraw/zinc/85/93/28/940859328.db2.gz BOXXWCZRBMVKOH-BBRMVZONSA-N 1 3 367.409 1.676 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ncn3)[C@H](C)C2)CC1 ZINC001094240002 960158267 /nfs/dbraw/zinc/15/82/67/960158267.db2.gz MJMQBELWHPADFX-VQIMIIECSA-N 1 3 369.513 1.314 20 30 FDEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474397 960641673 /nfs/dbraw/zinc/64/16/73/960641673.db2.gz XTCUSBJHNNOMFW-HSGZRYJKSA-N 1 3 359.514 1.787 20 30 FDEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474397 960641687 /nfs/dbraw/zinc/64/16/87/960641687.db2.gz XTCUSBJHNNOMFW-HSGZRYJKSA-N 1 3 359.514 1.787 20 30 FDEDHO CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978901 961862549 /nfs/dbraw/zinc/86/25/49/961862549.db2.gz OFAZSHBFLCFPOS-KKUMJFAQSA-N 1 3 367.494 1.111 20 30 FDEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182693533 962446536 /nfs/dbraw/zinc/44/65/36/962446536.db2.gz VTKSEYIDBSFZMB-FGTMMUONSA-N 1 3 364.534 1.332 20 30 FDEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182693533 962446548 /nfs/dbraw/zinc/44/65/48/962446548.db2.gz VTKSEYIDBSFZMB-FGTMMUONSA-N 1 3 364.534 1.332 20 30 FDEDHO C=C(C[NH+]1CCCC1)C(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001183091970 962793349 /nfs/dbraw/zinc/79/33/49/962793349.db2.gz RVPQDPISXMMZAN-UHFFFAOYSA-N 1 3 370.497 1.275 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)CC1 ZINC000847483392 975707635 /nfs/dbraw/zinc/70/76/35/975707635.db2.gz AHZNSTRSFCCJFM-FQEVSTJZSA-N 1 3 373.545 1.381 20 30 FDEDHO C#CC[C@@H](CCOC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000858189882 981902617 /nfs/dbraw/zinc/90/26/17/981902617.db2.gz VCXZREONYSCZIF-INIZCTEOSA-N 1 3 350.507 1.273 20 30 FDEDHO CCN1CCN(c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)CC1 ZINC000884233447 983007503 /nfs/dbraw/zinc/00/75/03/983007503.db2.gz QMZTWEKLKXTRRM-BATSVXPKSA-N 1 3 367.497 1.906 20 30 FDEDHO CC[C@@H]1CN(Cc2cc(C#N)cc(C[N@@H+]3C[C@H](O)[C@H](CC)C3)c2)C[C@@H]1O ZINC000878322068 993906217 /nfs/dbraw/zinc/90/62/17/993906217.db2.gz WFZNGDYGJBNVFQ-CGXNFDGLSA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1CN(Cc2cc(C#N)cc(C[N@H+]3C[C@H](O)[C@H](CC)C3)c2)C[C@@H]1O ZINC000878322068 993906218 /nfs/dbraw/zinc/90/62/18/993906218.db2.gz WFZNGDYGJBNVFQ-CGXNFDGLSA-N 1 3 357.498 1.964 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270817664 999619215 /nfs/dbraw/zinc/61/92/15/999619215.db2.gz HXSPHMKGNIGRAX-LEWJYISDSA-N 1 3 369.509 1.331 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270817664 999619218 /nfs/dbraw/zinc/61/92/18/999619218.db2.gz HXSPHMKGNIGRAX-LEWJYISDSA-N 1 3 369.509 1.331 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000328960709 259068940 /nfs/dbraw/zinc/06/89/40/259068940.db2.gz QJGKVACXCBPXNZ-YFVAEKQCSA-N 1 3 372.513 1.256 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000328960709 259068941 /nfs/dbraw/zinc/06/89/41/259068941.db2.gz QJGKVACXCBPXNZ-YFVAEKQCSA-N 1 3 372.513 1.256 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000172351759 524207773 /nfs/dbraw/zinc/20/77/73/524207773.db2.gz CCSPLUDDULZZKH-MRXNPFEDSA-N 1 3 350.507 1.437 20 30 FDEDHO C#CCN1CCC(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000172751292 524267254 /nfs/dbraw/zinc/26/72/54/524267254.db2.gz MWEOXRLXNMHIPF-UHFFFAOYSA-N 1 3 360.546 1.398 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000175742867 525000066 /nfs/dbraw/zinc/00/00/66/525000066.db2.gz JLOXUFCNLQUKPN-UHFFFAOYSA-N 1 3 352.523 1.779 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000104183530 525400323 /nfs/dbraw/zinc/40/03/23/525400323.db2.gz BAGVOLAZYZJPJM-DLBZAZTESA-N 1 3 359.518 1.910 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCn1cc(Br)cn1 ZINC000279881047 537357661 /nfs/dbraw/zinc/35/76/61/537357661.db2.gz AYWLBJAIBBRFIT-AWEZNQCLSA-N 1 3 371.327 1.814 20 30 FDEDHO CN(C)CCc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000275773372 537564542 /nfs/dbraw/zinc/56/45/42/537564542.db2.gz DQBGDHIKKNUFBC-UHFFFAOYSA-N 1 3 373.501 1.423 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000561415089 545838171 /nfs/dbraw/zinc/83/81/71/545838171.db2.gz WCPQJFWLUZGNSD-UHFFFAOYSA-N 1 3 364.534 1.332 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000561415089 545838176 /nfs/dbraw/zinc/83/81/76/545838176.db2.gz WCPQJFWLUZGNSD-UHFFFAOYSA-N 1 3 364.534 1.332 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000561451045 545856301 /nfs/dbraw/zinc/85/63/01/545856301.db2.gz ZYZZKWVROKOQSJ-WBVHZDCISA-N 1 3 350.507 1.084 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000561451045 545856305 /nfs/dbraw/zinc/85/63/05/545856305.db2.gz ZYZZKWVROKOQSJ-WBVHZDCISA-N 1 3 350.507 1.084 20 30 FDEDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H](N)CCCC#N ZINC000566197303 547654413 /nfs/dbraw/zinc/65/44/13/547654413.db2.gz UYDLKRNUKUYXGR-LJQANCHMSA-N 1 3 363.550 1.662 20 30 FDEDHO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000569921095 549095216 /nfs/dbraw/zinc/09/52/16/549095216.db2.gz OIRKPMJSHMRHQC-HKUYNNGSSA-N 1 3 359.470 1.388 20 30 FDEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)CN(C)CCC#N ZINC000577602692 550673945 /nfs/dbraw/zinc/67/39/45/550673945.db2.gz JZYYXBBOJFJLAA-IZZBFERCSA-N 1 3 358.530 1.939 20 30 FDEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)CN(C)CCC#N ZINC000577602692 550673946 /nfs/dbraw/zinc/67/39/46/550673946.db2.gz JZYYXBBOJFJLAA-IZZBFERCSA-N 1 3 358.530 1.939 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599930016 553175667 /nfs/dbraw/zinc/17/56/67/553175667.db2.gz YHLPFIGGSLQOQD-SFHVURJKSA-N 1 3 355.486 1.916 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277504160 674956496 /nfs/dbraw/zinc/95/64/96/674956496.db2.gz VTLXTWZEEIIROL-CYBMUJFWSA-N 1 3 372.922 1.632 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncccc1C(F)(F)F ZINC000160517833 672002519 /nfs/dbraw/zinc/00/25/19/672002519.db2.gz SZDHIALPQWNGHD-GFCCVEGCSA-N 1 3 359.396 1.868 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)c(OC)c1 ZINC000264140210 672903000 /nfs/dbraw/zinc/90/30/00/672903000.db2.gz WIZUATKKEAVEKK-AWEZNQCLSA-N 1 3 350.463 1.601 20 30 FDEDHO C[NH2+]Cc1c(C)nn(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1C ZINC001167099174 771163603 /nfs/dbraw/zinc/16/36/03/771163603.db2.gz UYAQUCKPVNKXFP-ZDUSSCGKSA-N 1 3 356.430 1.947 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104289530 773583773 /nfs/dbraw/zinc/58/37/73/773583773.db2.gz LXYWUWNHBDZPAP-BRWVUGGUSA-N 1 3 364.534 1.236 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659076975 787951663 /nfs/dbraw/zinc/95/16/63/787951663.db2.gz CKVHUECIEJLJLJ-GOSISDBHSA-N 1 3 372.469 1.053 20 30 FDEDHO COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530347 806570186 /nfs/dbraw/zinc/57/01/86/806570186.db2.gz POEMSVVYSOVJIY-RXVVDRJESA-N 1 3 361.530 1.586 20 30 FDEDHO COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531599 807081257 /nfs/dbraw/zinc/08/12/57/807081257.db2.gz HIRAXIPEWCWQHH-RXVVDRJESA-N 1 3 363.546 1.832 20 30 FDEDHO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367026568 814238097 /nfs/dbraw/zinc/23/80/97/814238097.db2.gz BDYPRBWYYPSGPT-MJGOQNOKSA-N 1 3 372.513 1.903 20 30 FDEDHO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000367026568 814238105 /nfs/dbraw/zinc/23/81/05/814238105.db2.gz BDYPRBWYYPSGPT-MJGOQNOKSA-N 1 3 372.513 1.903 20 30 FDEDHO C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000262674568 830031260 /nfs/dbraw/zinc/03/12/60/830031260.db2.gz QNXREISUBCVCNH-VQIMIIECSA-N 1 3 369.557 1.876 20 30 FDEDHO CC[NH+]1CCN(c2ccc(NC(=O)NCC#CCN(C)C)c(C)c2)CC1 ZINC000905152170 851706921 /nfs/dbraw/zinc/70/69/21/851706921.db2.gz VTDDMFUYHBIJKA-UHFFFAOYSA-N 1 3 357.502 1.823 20 30 FDEDHO C=CCN1CCN(C)C2(CC[NH+](C3CCN(CC4CC4)CC3)CC2)C1=O ZINC001168377602 862433394 /nfs/dbraw/zinc/43/33/94/862433394.db2.gz JUIXEAPCWPACFX-UHFFFAOYSA-N 1 3 360.546 1.655 20 30 FDEDHO C=CCC[C@@H](C)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219935 886602293 /nfs/dbraw/zinc/60/22/93/886602293.db2.gz OPQOGDMKNIUIDK-ZACQAIPSSA-N 1 3 360.506 1.316 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C4CC4)nn3)CC2)CC1 ZINC000328613250 887593284 /nfs/dbraw/zinc/59/32/84/887593284.db2.gz QEJYCEXCFRCTKQ-UHFFFAOYSA-N 1 3 358.490 2.239 20 30 FDEDHO COCCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000265794708 893185734 /nfs/dbraw/zinc/18/57/34/893185734.db2.gz XQVYNZQTEMBTSC-LJQANCHMSA-N 1 3 373.501 1.352 20 30 FDEDHO C=CCNCc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128106956 896958470 /nfs/dbraw/zinc/95/84/70/896958470.db2.gz JVROJJPBOSBQIF-BPQIPLTHSA-N 1 3 357.502 1.392 20 30 FDEDHO C=CCNCc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128106956 896958474 /nfs/dbraw/zinc/95/84/74/896958474.db2.gz JVROJJPBOSBQIF-BPQIPLTHSA-N 1 3 357.502 1.392 20 30 FDEDHO C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000995267915 897652369 /nfs/dbraw/zinc/65/23/69/897652369.db2.gz QNEUIMJQDJZJNR-MISYRCLQSA-N 1 3 354.498 1.706 20 30 FDEDHO C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995267915 897652421 /nfs/dbraw/zinc/65/24/21/897652421.db2.gz QNEUIMJQDJZJNR-MISYRCLQSA-N 1 3 354.498 1.706 20 30 FDEDHO C=C(C)CC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079262808 902304081 /nfs/dbraw/zinc/30/40/81/902304081.db2.gz BXFABQOORGXNQS-ZWKOTPCHSA-N 1 3 358.486 1.858 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082559956 908614702 /nfs/dbraw/zinc/61/47/02/908614702.db2.gz UOQZLWORXMWANQ-UPRAQXHNSA-N 1 3 358.461 1.974 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCc1cc(C#N)ccc1F ZINC001082559873 908615421 /nfs/dbraw/zinc/61/54/21/908615421.db2.gz RJBKGAJPSNTDNM-ZNOIYHFQSA-N 1 3 358.461 1.974 20 30 FDEDHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1)N(C)C ZINC001082747415 909691993 /nfs/dbraw/zinc/69/19/93/909691993.db2.gz RKTWDMBGALHPKI-OLMNPRSZSA-N 1 3 358.486 1.844 20 30 FDEDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1C#N ZINC001082741806 909941516 /nfs/dbraw/zinc/94/15/16/909941516.db2.gz DFKHXHWUCCUTAX-GPMSIDNRSA-N 1 3 370.497 1.845 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000771511023 930708845 /nfs/dbraw/zinc/70/88/45/930708845.db2.gz LKLVXMUFUZDTPL-UHFFFAOYSA-N 1 3 360.546 1.349 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044072 938643415 /nfs/dbraw/zinc/64/34/15/938643415.db2.gz OMVXAEAIMVHSLT-MSOLQXFVSA-N 1 3 362.522 1.708 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590183 939896278 /nfs/dbraw/zinc/89/62/78/939896278.db2.gz DBTKETGGWWOCTD-QXAKKESOSA-N 1 3 357.502 1.200 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590183 939896282 /nfs/dbraw/zinc/89/62/82/939896282.db2.gz DBTKETGGWWOCTD-QXAKKESOSA-N 1 3 357.502 1.200 20 30 FDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130685359 939975312 /nfs/dbraw/zinc/97/53/12/939975312.db2.gz PVDPSOZOVGSDOU-UWWQBHOKSA-N 1 3 356.474 1.625 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC=C)C2)CC1 ZINC001130734266 940034554 /nfs/dbraw/zinc/03/45/54/940034554.db2.gz LMTANGZCTHNAHJ-AZUAARDMSA-N 1 3 369.513 1.225 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1cn(C)cn1 ZINC001130734647 940035093 /nfs/dbraw/zinc/03/50/93/940035093.db2.gz XVOHXOHMDVFTGQ-QXAKKESOSA-N 1 3 357.502 1.202 20 30 FDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131130337 940510892 /nfs/dbraw/zinc/51/08/92/940510892.db2.gz HARSAGVACOFZQK-RCCFBDPRSA-N 1 3 361.534 1.999 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845448447 949231000 /nfs/dbraw/zinc/23/10/00/949231000.db2.gz KDXUCTRTHSDZKM-INIZCTEOSA-N 1 3 368.522 1.598 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)o3)C2)CC1 ZINC001086882155 952913897 /nfs/dbraw/zinc/91/38/97/952913897.db2.gz CMKJKFBESFSOBN-FUHWJXTLSA-N 1 3 358.486 1.703 20 30 FDEDHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ccccc1C#N ZINC001087101066 953271958 /nfs/dbraw/zinc/27/19/58/953271958.db2.gz RPRDFKFXORQOFN-VAMGGRTRSA-N 1 3 370.497 1.463 20 30 FDEDHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ccccc1C#N ZINC001087101066 953271960 /nfs/dbraw/zinc/27/19/60/953271960.db2.gz RPRDFKFXORQOFN-VAMGGRTRSA-N 1 3 370.497 1.463 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001093672827 958514699 /nfs/dbraw/zinc/51/46/99/958514699.db2.gz FTKXSGSECYGSJQ-BJZITVGISA-N 1 3 358.461 1.976 20 30 FDEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474004 960642504 /nfs/dbraw/zinc/64/25/04/960642504.db2.gz FYVKKURYHNQALN-HSGZRYJKSA-N 1 3 357.498 1.234 20 30 FDEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474004 960642513 /nfs/dbraw/zinc/64/25/13/960642513.db2.gz FYVKKURYHNQALN-HSGZRYJKSA-N 1 3 357.498 1.234 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000848394173 976715881 /nfs/dbraw/zinc/71/58/81/976715881.db2.gz HQTAWNFGLMPNFW-ZBFHGGJFSA-N 1 3 358.442 1.945 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CCN(CC)C3)CC1 ZINC000361286881 988327179 /nfs/dbraw/zinc/32/71/79/988327179.db2.gz GVCNKZCHVKKNLN-UHFFFAOYSA-N 1 3 370.497 1.770 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000367524796 988955384 /nfs/dbraw/zinc/95/53/84/988955384.db2.gz OGMRUYIHKSTEIZ-QGZVFWFLSA-N 1 3 363.550 1.447 20 30 FDEDHO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363202657 988989905 /nfs/dbraw/zinc/98/99/05/988989905.db2.gz VLOIZYTYSFVGGR-FQEVSTJZSA-N 1 3 373.497 1.873 20 30 FDEDHO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363202657 988989906 /nfs/dbraw/zinc/98/99/06/988989906.db2.gz VLOIZYTYSFVGGR-FQEVSTJZSA-N 1 3 373.497 1.873 20 30 FDEDHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876736317 992852748 /nfs/dbraw/zinc/85/27/48/992852748.db2.gz LSAHXEWQHSLTPS-HXUWFJFHSA-N 1 3 369.513 1.135 20 30 FDEDHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876736317 992852753 /nfs/dbraw/zinc/85/27/53/992852753.db2.gz LSAHXEWQHSLTPS-HXUWFJFHSA-N 1 3 369.513 1.135 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405522 999554452 /nfs/dbraw/zinc/55/44/52/999554452.db2.gz GNQZTYYPASNKFS-MSOLQXFVSA-N 1 3 357.502 1.424 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000286354440 999943962 /nfs/dbraw/zinc/94/39/62/999943962.db2.gz BPQMZNXMCPFTAX-KRWDZBQOSA-N 1 3 372.513 1.390 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000553329863 543610748 /nfs/dbraw/zinc/61/07/48/543610748.db2.gz RVVMYVFHYFZLKF-APWZRJJASA-N 1 3 374.529 1.228 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000553329863 543610753 /nfs/dbraw/zinc/61/07/53/543610753.db2.gz RVVMYVFHYFZLKF-APWZRJJASA-N 1 3 374.529 1.228 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000553372556 543621060 /nfs/dbraw/zinc/62/10/60/543621060.db2.gz WWKMXTFDQFXJDN-UHFFFAOYSA-N 1 3 350.507 1.087 20 30 FDEDHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](NC2CCOCC2)C(C)C)c1C#N ZINC000534791194 490409332 /nfs/dbraw/zinc/40/93/32/490409332.db2.gz LWLVNHKMACVLSQ-MRXNPFEDSA-N 1 3 362.478 1.165 20 30 FDEDHO CN1CCCN(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000083032611 524234889 /nfs/dbraw/zinc/23/48/89/524234889.db2.gz LGILGYUXBRUHTO-UHFFFAOYSA-N 1 3 373.423 1.627 20 30 FDEDHO C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158555565 524489203 /nfs/dbraw/zinc/48/92/03/524489203.db2.gz YGETUAYZGHXTHA-WBVHZDCISA-N 1 3 357.502 1.469 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1OC ZINC000104165320 525398783 /nfs/dbraw/zinc/39/87/83/525398783.db2.gz YCQWOPSMUODOTA-CQSZACIVSA-N 1 3 350.463 1.601 20 30 FDEDHO CN1CCCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266996203 536945693 /nfs/dbraw/zinc/94/56/93/536945693.db2.gz XWEDAGLLXXDRKL-UHFFFAOYSA-N 1 3 357.424 1.747 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(C)C ZINC000424125904 538242919 /nfs/dbraw/zinc/24/29/19/538242919.db2.gz AWTJNKBLTJHGRF-FUHWJXTLSA-N 1 3 360.506 1.631 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000561413895 545837930 /nfs/dbraw/zinc/83/79/30/545837930.db2.gz KUSKZGNXOGLDDH-UHFFFAOYSA-N 1 3 364.534 1.381 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(CCC)CCC[NH+](C)C)CC1 ZINC000561414310 545838972 /nfs/dbraw/zinc/83/89/72/545838972.db2.gz VLACSDQCVLQBJJ-UHFFFAOYSA-N 1 3 352.523 1.333 20 30 FDEDHO N#CCCC[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570679377 549372093 /nfs/dbraw/zinc/37/20/93/549372093.db2.gz UGVYDBPGCCHALD-QZTJIDSGSA-N 1 3 371.485 1.021 20 30 FDEDHO N#CCCC[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570679377 549372096 /nfs/dbraw/zinc/37/20/96/549372096.db2.gz UGVYDBPGCCHALD-QZTJIDSGSA-N 1 3 371.485 1.021 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000575146238 550434390 /nfs/dbraw/zinc/43/43/90/550434390.db2.gz RDWMEUCXMWBWSU-QGZVFWFLSA-N 1 3 364.534 1.380 20 30 FDEDHO CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1)[C@@H]1CCCN(C)C1 ZINC000592167999 551952521 /nfs/dbraw/zinc/95/25/21/551952521.db2.gz SAGKFZYHGCTTGJ-QZTJIDSGSA-N 1 3 371.485 1.812 20 30 FDEDHO CC(C)(C#N)C[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000598720636 552927961 /nfs/dbraw/zinc/92/79/61/552927961.db2.gz QHRGPJPSWFYUOT-RBUKOAKNSA-N 1 3 372.513 1.774 20 30 FDEDHO CC(C)(C#N)C[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000598720636 552927962 /nfs/dbraw/zinc/92/79/62/552927962.db2.gz QHRGPJPSWFYUOT-RBUKOAKNSA-N 1 3 372.513 1.774 20 30 FDEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000598720636 552927964 /nfs/dbraw/zinc/92/79/64/552927964.db2.gz QHRGPJPSWFYUOT-RBUKOAKNSA-N 1 3 372.513 1.774 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)ccc1OC ZINC000264083949 672900738 /nfs/dbraw/zinc/90/07/38/672900738.db2.gz IHQKOPGYIGUTEH-XJKSGUPXSA-N 1 3 350.463 1.126 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCCCC1 ZINC000303783084 676542989 /nfs/dbraw/zinc/54/29/89/676542989.db2.gz NWEKLCLDWZQHAW-QGZVFWFLSA-N 1 3 351.539 1.410 20 30 FDEDHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000329215116 676625796 /nfs/dbraw/zinc/62/57/96/676625796.db2.gz MEHQTTKKSNOILP-NPYXIHBLSA-N 1 3 350.507 1.901 20 30 FDEDHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000329215116 676625799 /nfs/dbraw/zinc/62/57/99/676625799.db2.gz MEHQTTKKSNOILP-NPYXIHBLSA-N 1 3 350.507 1.901 20 30 FDEDHO CC1CC[NH+](CCCCNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000521227467 690397089 /nfs/dbraw/zinc/39/70/89/690397089.db2.gz LYUJWMLEHVRNHW-UHFFFAOYSA-N 1 3 364.515 1.829 20 30 FDEDHO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@H]3CN4CCN3CCC4)nc2)C1 ZINC000328933809 819583191 /nfs/dbraw/zinc/58/31/91/819583191.db2.gz IRVMHKMDUJNCKK-DLBZAZTESA-N 1 3 358.490 1.200 20 30 FDEDHO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000522305336 822379168 /nfs/dbraw/zinc/37/91/68/822379168.db2.gz GDEIYMBHIKKOJQ-GOSISDBHSA-N 1 3 355.486 1.868 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCOCC3)[C@@H]2CC)CC1 ZINC001087840047 822558753 /nfs/dbraw/zinc/55/87/53/822558753.db2.gz DYQONQBJUNRNSF-VQTJNVASSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCOCC3)[C@@H]2CC)CC1 ZINC001087840047 822558754 /nfs/dbraw/zinc/55/87/54/822558754.db2.gz DYQONQBJUNRNSF-VQTJNVASSA-N 1 3 361.530 1.727 20 30 FDEDHO CC(C)N1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329535428 824861901 /nfs/dbraw/zinc/86/19/01/824861901.db2.gz ZHOWRHGLVVHFNV-FUHWJXTLSA-N 1 3 362.522 1.743 20 30 FDEDHO CC(C)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329535428 824861907 /nfs/dbraw/zinc/86/19/07/824861907.db2.gz ZHOWRHGLVVHFNV-FUHWJXTLSA-N 1 3 362.522 1.743 20 30 FDEDHO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000262462571 827022690 /nfs/dbraw/zinc/02/26/90/827022690.db2.gz MVSDLOREFUCZMF-GOSISDBHSA-N 1 3 369.513 1.711 20 30 FDEDHO N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)c1 ZINC001088201236 827443383 /nfs/dbraw/zinc/44/33/83/827443383.db2.gz RNPBJTUHVUYKQV-UXHICEINSA-N 1 3 352.482 1.934 20 30 FDEDHO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)c1 ZINC001088201236 827443385 /nfs/dbraw/zinc/44/33/85/827443385.db2.gz RNPBJTUHVUYKQV-UXHICEINSA-N 1 3 352.482 1.934 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105670136 844360051 /nfs/dbraw/zinc/36/00/51/844360051.db2.gz YAZGDFNWOVEQSN-JYBIWHBTSA-N 1 3 351.535 1.870 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637327 842271112 /nfs/dbraw/zinc/27/11/12/842271112.db2.gz NFCXOZYDIDFKNA-RMVXJAJNSA-N 1 3 361.530 1.460 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642101 842303440 /nfs/dbraw/zinc/30/34/40/842303440.db2.gz HQNHDZKINYJOFP-NEYJZJCJSA-N 1 3 363.546 1.706 20 30 FDEDHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569500 848467551 /nfs/dbraw/zinc/46/75/51/848467551.db2.gz YWQXDXANVSFWDH-NLWGTHIKSA-N 1 3 368.481 1.573 20 30 FDEDHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569500 848467554 /nfs/dbraw/zinc/46/75/54/848467554.db2.gz YWQXDXANVSFWDH-NLWGTHIKSA-N 1 3 368.481 1.573 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)CC1 ZINC001078227142 898429232 /nfs/dbraw/zinc/42/92/32/898429232.db2.gz KZOTUWGADNUWCI-RTBURBONSA-N 1 3 359.514 1.073 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2O)CC1 ZINC001078227142 898429236 /nfs/dbraw/zinc/42/92/36/898429236.db2.gz KZOTUWGADNUWCI-RTBURBONSA-N 1 3 359.514 1.073 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258164 902291200 /nfs/dbraw/zinc/29/12/00/902291200.db2.gz QIRRUZPGHFPNKL-CADBVGFASA-N 1 3 359.514 1.289 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258164 902291207 /nfs/dbraw/zinc/29/12/07/902291207.db2.gz QIRRUZPGHFPNKL-CADBVGFASA-N 1 3 359.514 1.289 20 30 FDEDHO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000764463600 904735579 /nfs/dbraw/zinc/73/55/79/904735579.db2.gz WAUCGSOINQFAMQ-IBGZPJMESA-N 1 3 371.529 1.560 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1ccc(C#N)s1 ZINC001082515179 908182430 /nfs/dbraw/zinc/18/24/30/908182430.db2.gz CWMMGHJATHVHTK-FSPWUOQZSA-N 1 3 358.511 1.898 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082559860 908613058 /nfs/dbraw/zinc/61/30/58/908613058.db2.gz RBQBBOQQPRWRBJ-UPRAQXHNSA-N 1 3 358.461 1.974 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001085432970 924681389 /nfs/dbraw/zinc/68/13/89/924681389.db2.gz ZNRVAARRSUYYKT-DFQSSKMNSA-N 1 3 361.530 1.775 20 30 FDEDHO C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091401249 951576434 /nfs/dbraw/zinc/57/64/34/951576434.db2.gz WXAWCWAJWPJJHH-ATZDWAIDSA-N 1 3 358.486 1.677 20 30 FDEDHO C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091401249 951576441 /nfs/dbraw/zinc/57/64/41/951576441.db2.gz WXAWCWAJWPJJHH-ATZDWAIDSA-N 1 3 358.486 1.677 20 30 FDEDHO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1C#N ZINC001094074987 959703413 /nfs/dbraw/zinc/70/34/13/959703413.db2.gz RXUNOBWHHMKYBF-RHSMWYFYSA-N 1 3 367.453 1.717 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCC4CC4)C[C@H]32)CC1 ZINC001190317552 967729737 /nfs/dbraw/zinc/72/97/37/967729737.db2.gz HDSXDLNRVQAYLV-VQTJNVASSA-N 1 3 359.514 1.291 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]32)CC1 ZINC001190317552 967729744 /nfs/dbraw/zinc/72/97/44/967729744.db2.gz HDSXDLNRVQAYLV-VQTJNVASSA-N 1 3 359.514 1.291 20 30 FDEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000855528101 970467872 /nfs/dbraw/zinc/46/78/72/970467872.db2.gz XUSQLSYMDAIXGV-UHFFFAOYSA-N 1 3 354.498 1.755 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000849081903 977307411 /nfs/dbraw/zinc/30/74/11/977307411.db2.gz PQNYPYYEWFGVPR-ZNMIVQPWSA-N 1 3 364.494 1.344 20 30 FDEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000884193759 982969739 /nfs/dbraw/zinc/96/97/39/982969739.db2.gz OOHCALRKBMEOIS-LSNYBQGISA-N 1 3 352.482 1.907 20 30 FDEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000878485552 993979902 /nfs/dbraw/zinc/97/99/02/993979902.db2.gz OHFUZBGNCWDVNF-VAKZPMALSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000878485552 993979909 /nfs/dbraw/zinc/97/99/09/993979909.db2.gz OHFUZBGNCWDVNF-VAKZPMALSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000878485552 993979913 /nfs/dbraw/zinc/97/99/13/993979913.db2.gz OHFUZBGNCWDVNF-VAKZPMALSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000878485552 993979920 /nfs/dbraw/zinc/97/99/20/993979920.db2.gz OHFUZBGNCWDVNF-VAKZPMALSA-N 1 3 357.498 1.964 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652146931 1016769213 /nfs/dbraw/zinc/76/92/13/1016769213.db2.gz BYHRNEQSBCPPEN-XYJFISCASA-N 1 3 350.507 1.565 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)NC2CC[NH+](CC=C)CC2)CC1 ZINC000932144076 1004792722 /nfs/dbraw/zinc/79/27/22/1004792722.db2.gz MLDNOALTYQQCGP-KDURUIRLSA-N 1 3 374.529 1.156 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)NC2CC[NH+](CC=C)CC2)CC1 ZINC000932144076 1004792728 /nfs/dbraw/zinc/79/27/28/1004792728.db2.gz MLDNOALTYQQCGP-KDURUIRLSA-N 1 3 374.529 1.156 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C(C)C ZINC000419566771 1012572679 /nfs/dbraw/zinc/57/26/79/1012572679.db2.gz GURBWOMCPHSINF-YLJYHZDGSA-N 1 3 362.518 1.156 20 30 FDEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000173373704 524376524 /nfs/dbraw/zinc/37/65/24/524376524.db2.gz DSDXBJNSNPNAEL-MRXNPFEDSA-N 1 3 361.494 1.677 20 30 FDEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000173373704 524376534 /nfs/dbraw/zinc/37/65/34/524376534.db2.gz DSDXBJNSNPNAEL-MRXNPFEDSA-N 1 3 361.494 1.677 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)cc1OC ZINC000104156565 525397018 /nfs/dbraw/zinc/39/70/18/525397018.db2.gz GSERMEFRFWXNPX-CQSZACIVSA-N 1 3 350.463 1.601 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000154782638 525637532 /nfs/dbraw/zinc/63/75/32/525637532.db2.gz BTGZNXUUGSBOTG-UHFFFAOYSA-N 1 3 352.523 1.515 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000154782638 525637536 /nfs/dbraw/zinc/63/75/36/525637536.db2.gz BTGZNXUUGSBOTG-UHFFFAOYSA-N 1 3 352.523 1.515 20 30 FDEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1cccc(C#N)c1 ZINC000156461348 526142481 /nfs/dbraw/zinc/14/24/81/526142481.db2.gz ULAHPTMTJIVREZ-IBGZPJMESA-N 1 3 357.502 1.845 20 30 FDEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1cccc(C#N)c1 ZINC000156461348 526142485 /nfs/dbraw/zinc/14/24/85/526142485.db2.gz ULAHPTMTJIVREZ-IBGZPJMESA-N 1 3 357.502 1.845 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190988525 537193803 /nfs/dbraw/zinc/19/38/03/537193803.db2.gz ABOXIQFVGQKLHT-NRFANRHFSA-N 1 3 369.509 1.739 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190988525 537193804 /nfs/dbraw/zinc/19/38/04/537193804.db2.gz ABOXIQFVGQKLHT-NRFANRHFSA-N 1 3 369.509 1.739 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000594450034 552312567 /nfs/dbraw/zinc/31/25/67/552312567.db2.gz RHJHZIUFAPLOIP-SFHVURJKSA-N 1 3 357.502 1.507 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594525902 552327738 /nfs/dbraw/zinc/32/77/38/552327738.db2.gz XZDUCUFNEXMXAE-AWEZNQCLSA-N 1 3 357.380 1.521 20 30 FDEDHO N#Cc1ccc(CCN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892609 552629659 /nfs/dbraw/zinc/62/96/59/552629659.db2.gz NRCWGKFBOVLVMC-RBUKOAKNSA-N 1 3 353.470 1.321 20 30 FDEDHO CN(CC1C[NH+](C)C1)c1cc(C#N)c([N+](=O)[O-])c(N(C)CC2CN(C)C2)c1 ZINC000596454320 552680879 /nfs/dbraw/zinc/68/08/79/552680879.db2.gz RCUFIEBKFQHVIZ-UHFFFAOYSA-N 1 3 372.473 1.462 20 30 FDEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000598728933 552928640 /nfs/dbraw/zinc/92/86/40/552928640.db2.gz XMEHEGVUVVCXFU-LJQANCHMSA-N 1 3 372.513 1.774 20 30 FDEDHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600720545 553307235 /nfs/dbraw/zinc/30/72/35/553307235.db2.gz ZKHGBPJGTOZWLA-HXUWFJFHSA-N 1 3 356.514 1.968 20 30 FDEDHO N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000600734745 553309001 /nfs/dbraw/zinc/30/90/01/553309001.db2.gz FWNVDKJFYPAMOW-LJQANCHMSA-N 1 3 370.497 1.528 20 30 FDEDHO C=C(Br)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000171198858 672052120 /nfs/dbraw/zinc/05/21/20/672052120.db2.gz ZSRAISFMNUKCBN-UHFFFAOYSA-N 1 3 359.312 1.753 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000267462452 673306707 /nfs/dbraw/zinc/30/67/07/673306707.db2.gz VNPZXCKLVZVKSH-WMLDXEAASA-N 1 3 350.463 1.126 20 30 FDEDHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])NCCc1cccs1 ZINC000303974696 676544020 /nfs/dbraw/zinc/54/40/20/676544020.db2.gz IFXOZXWMBBMGGZ-HNNXBMFYSA-N 1 3 351.520 1.138 20 30 FDEDHO CC(=O)N1CCCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329089904 676619356 /nfs/dbraw/zinc/61/93/56/676619356.db2.gz WIDTURZFTUXONC-GOSISDBHSA-N 1 3 350.507 1.903 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)CC2)CC1 ZINC000329553955 676643785 /nfs/dbraw/zinc/64/37/85/676643785.db2.gz KGKYMHACUCMZCX-QGTPRVQTSA-N 1 3 350.507 1.162 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000419571978 680280297 /nfs/dbraw/zinc/28/02/97/680280297.db2.gz PWADIGOCWQVCET-YESZJQIVSA-N 1 3 350.507 1.187 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)NCC#C[C@@H]3CCCCO3)CC2)CC1 ZINC000891116438 773311138 /nfs/dbraw/zinc/31/11/38/773311138.db2.gz MSHJDYADABQRSD-FQEVSTJZSA-N 1 3 361.530 1.871 20 30 FDEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104682840 789385508 /nfs/dbraw/zinc/38/55/08/789385508.db2.gz BFKHBSMICQQAQD-IAGOWNOFSA-N 1 3 364.534 1.095 20 30 FDEDHO C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683594 789389519 /nfs/dbraw/zinc/38/95/19/789389519.db2.gz NAVDXKXQBNRHRY-QZTJIDSGSA-N 1 3 351.535 1.995 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000892851369 791454403 /nfs/dbraw/zinc/45/44/03/791454403.db2.gz ILSBRQITXXDYPV-QZTJIDSGSA-N 1 3 350.507 1.268 20 30 FDEDHO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000261931063 811346634 /nfs/dbraw/zinc/34/66/34/811346634.db2.gz BJIIUCFFADJUOR-QAPCUYQASA-N 1 3 369.517 1.969 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000419564754 812020400 /nfs/dbraw/zinc/02/04/00/812020400.db2.gz CYGKDHHBISCUDM-KZNAEPCWSA-N 1 3 364.534 1.387 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCOC3)[C@@H]2CC)CC1 ZINC001087840440 822559623 /nfs/dbraw/zinc/55/96/23/822559623.db2.gz XPDGIMFLAQUIDT-YZGWKJHDSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)[C@@H]2CC)CC1 ZINC001087840440 822559626 /nfs/dbraw/zinc/55/96/26/822559626.db2.gz XPDGIMFLAQUIDT-YZGWKJHDSA-N 1 3 361.530 1.727 20 30 FDEDHO C[NH+]=C(NCCc1cn2c(n1)CCCC2)N1CC[C@@H](N2CCCCC2)C1 ZINC000262487687 827425619 /nfs/dbraw/zinc/42/56/19/827425619.db2.gz TWHVIKCRZPEBRW-GOSISDBHSA-N 1 3 358.534 1.898 20 30 FDEDHO CC#CCN1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001088234495 827598444 /nfs/dbraw/zinc/59/84/44/827598444.db2.gz UFFLDFDMVBMGOY-MISYRCLQSA-N 1 3 361.530 1.679 20 30 FDEDHO CC#CCN1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001088234495 827598447 /nfs/dbraw/zinc/59/84/47/827598447.db2.gz UFFLDFDMVBMGOY-MISYRCLQSA-N 1 3 361.530 1.679 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000528431876 829400685 /nfs/dbraw/zinc/40/06/85/829400685.db2.gz NTHBTUZXIGEBFX-HOJAQTOUSA-N 1 3 372.513 1.256 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000528431876 829400690 /nfs/dbraw/zinc/40/06/90/829400690.db2.gz NTHBTUZXIGEBFX-HOJAQTOUSA-N 1 3 372.513 1.256 20 30 FDEDHO C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000262674180 830031310 /nfs/dbraw/zinc/03/13/10/830031310.db2.gz QNXREISUBCVCNH-QFBILLFUSA-N 1 3 369.557 1.876 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105657376 842494085 /nfs/dbraw/zinc/49/40/85/842494085.db2.gz YNPMQTNDMUMVRI-LFGUQSLTSA-N 1 3 360.502 1.885 20 30 FDEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106665818 876475979 /nfs/dbraw/zinc/47/59/79/876475979.db2.gz CSNMASHTSVVPRI-HLIPFELVSA-N 1 3 367.509 1.533 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442983 904940175 /nfs/dbraw/zinc/94/01/75/904940175.db2.gz VIZIPNICENLDDN-QKNQBKEWSA-N 1 3 361.530 1.871 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442983 904940178 /nfs/dbraw/zinc/94/01/78/904940178.db2.gz VIZIPNICENLDDN-QKNQBKEWSA-N 1 3 361.530 1.871 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001085432733 924679761 /nfs/dbraw/zinc/67/97/61/924679761.db2.gz NMACPUUISQABHF-XUVXKRRUSA-N 1 3 361.530 1.918 20 30 FDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001086368986 926861564 /nfs/dbraw/zinc/86/15/64/926861564.db2.gz JOSQXVSLVHLQDT-DDBAPUKQSA-N 1 3 369.937 1.970 20 30 FDEDHO C#CCN1CCN(C(=O)C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC000789357799 932988681 /nfs/dbraw/zinc/98/86/81/932988681.db2.gz OTOUMKUABVJGEY-UHFFFAOYSA-N 1 3 369.513 1.176 20 30 FDEDHO C=CCN[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129949157 938574055 /nfs/dbraw/zinc/57/40/55/938574055.db2.gz RROWSXRWRPCANA-MSOLQXFVSA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCN[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129949157 938574056 /nfs/dbraw/zinc/57/40/56/938574056.db2.gz RROWSXRWRPCANA-MSOLQXFVSA-N 1 3 360.506 1.460 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012160 938614801 /nfs/dbraw/zinc/61/48/01/938614801.db2.gz RYKATLZLUZCYOZ-SJORKVTESA-N 1 3 362.522 1.564 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1cn(C)cn1 ZINC001130734500 940034444 /nfs/dbraw/zinc/03/44/44/940034444.db2.gz UGXLNWCKMLCZKI-UHOSZYNNSA-N 1 3 359.518 1.755 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC=C)C2)CC1 ZINC001131127849 940509715 /nfs/dbraw/zinc/50/97/15/940509715.db2.gz HYUCHIZIQGBEFA-RTBURBONSA-N 1 3 369.513 1.225 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1cncn1C ZINC001131132440 940512562 /nfs/dbraw/zinc/51/25/62/940512562.db2.gz KXUNOELPYJAOQY-KZNAEPCWSA-N 1 3 359.518 1.755 20 30 FDEDHO N=C(Nc1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc(C(N)=O)cc1 ZINC001171255522 951647925 /nfs/dbraw/zinc/64/79/25/951647925.db2.gz AYHROIQVWVVDNB-WIYYLYMNSA-N 1 3 364.449 1.843 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCOCC3)C2)CC1 ZINC001086882507 952914375 /nfs/dbraw/zinc/91/43/75/952914375.db2.gz UEASKRQFUOCBSZ-AZUAARDMSA-N 1 3 361.530 1.633 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2C)CC1 ZINC001093223631 957854335 /nfs/dbraw/zinc/85/43/35/957854335.db2.gz DQBYHPYFUCFQDR-CRAIPNDOSA-N 1 3 358.486 1.512 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2C)CC1 ZINC001093223631 957854345 /nfs/dbraw/zinc/85/43/45/957854345.db2.gz DQBYHPYFUCFQDR-CRAIPNDOSA-N 1 3 358.486 1.512 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000636677735 1013188185 /nfs/dbraw/zinc/18/81/85/1013188185.db2.gz XQZSDCYSSTWMJU-UHFFFAOYSA-N 1 3 362.518 1.230 20 30 FDEDHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189653012 967165077 /nfs/dbraw/zinc/16/50/77/967165077.db2.gz PXWOYASJQUIJIZ-AZUAARDMSA-N 1 3 370.497 1.963 20 30 FDEDHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189653012 967165085 /nfs/dbraw/zinc/16/50/85/967165085.db2.gz PXWOYASJQUIJIZ-AZUAARDMSA-N 1 3 370.497 1.963 20 30 FDEDHO C#C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000852059157 979313430 /nfs/dbraw/zinc/31/34/30/979313430.db2.gz WLPVIUXFQKAECP-LJQANCHMSA-N 1 3 362.518 1.273 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C(C)C ZINC000884614467 983278032 /nfs/dbraw/zinc/27/80/32/983278032.db2.gz NURXNYGPBBLQAK-KZNAEPCWSA-N 1 3 362.518 1.154 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000363343689 989111248 /nfs/dbraw/zinc/11/12/48/989111248.db2.gz XUVHTQUMQJAUHS-QZTJIDSGSA-N 1 3 361.530 1.679 20 30 FDEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000876896671 992957493 /nfs/dbraw/zinc/95/74/93/992957493.db2.gz KLSNHCFZRGFDGD-SJORKVTESA-N 1 3 351.878 1.864 20 30 FDEDHO CC[C@@H]1C[N@H+](Cc2cc(C#N)cc(CN3C[C@H](O)[C@@H](CC)C3)c2)C[C@H]1O ZINC000878322069 993906538 /nfs/dbraw/zinc/90/65/38/993906538.db2.gz WFZNGDYGJBNVFQ-FXELSEDVSA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cc(CN3C[C@H](O)[C@@H](CC)C3)c2)C[C@H]1O ZINC000878322069 993906540 /nfs/dbraw/zinc/90/65/40/993906540.db2.gz WFZNGDYGJBNVFQ-FXELSEDVSA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1CN(Cc2cc(C#N)cc(C[N@@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@H]1O ZINC000878322069 993906542 /nfs/dbraw/zinc/90/65/42/993906542.db2.gz WFZNGDYGJBNVFQ-FXELSEDVSA-N 1 3 357.498 1.964 20 30 FDEDHO CC[C@@H]1CN(Cc2cc(C#N)cc(C[N@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@H]1O ZINC000878322069 993906550 /nfs/dbraw/zinc/90/65/50/993906550.db2.gz WFZNGDYGJBNVFQ-FXELSEDVSA-N 1 3 357.498 1.964 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1 ZINC000264090022 997399747 /nfs/dbraw/zinc/39/97/47/997399747.db2.gz KSBNUSWYTVZIAF-GOSISDBHSA-N 1 3 357.502 1.698 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000264114000 997403709 /nfs/dbraw/zinc/40/37/09/997403709.db2.gz PNMMQGJHENIHCL-DOTOQJQBSA-N 1 3 360.506 1.195 20 30 FDEDHO C#CCN(C(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1)C1CCN(C)CC1 ZINC000932687549 1005097174 /nfs/dbraw/zinc/09/71/74/1005097174.db2.gz UYVAHKYMZNTNHH-UHFFFAOYSA-N 1 3 374.529 1.066 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000642769893 1007890884 /nfs/dbraw/zinc/89/08/84/1007890884.db2.gz UCLNIGFABRGIBO-SJORKVTESA-N 1 3 350.507 1.060 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303865997 1009643596 /nfs/dbraw/zinc/64/35/96/1009643596.db2.gz CBEDNAIFWAPNIU-LJQANCHMSA-N 1 3 367.497 1.785 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000559777391 544794988 /nfs/dbraw/zinc/79/49/88/544794988.db2.gz WQOVJYKKTJTGOT-MRXNPFEDSA-N 1 3 350.507 1.134 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000328960400 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363.550 1.448 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)s1 ZINC000279925180 537359254 /nfs/dbraw/zinc/35/92/54/537359254.db2.gz FPJITKMGWQSUBY-LBPRGKRZSA-N 1 3 358.533 1.430 20 30 FDEDHO CN(C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375833851 537778662 /nfs/dbraw/zinc/77/86/62/537778662.db2.gz VNLRQDPIIGPAOT-UXHICEINSA-N 1 3 372.513 1.398 20 30 FDEDHO CN(C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375833851 537778671 /nfs/dbraw/zinc/77/86/71/537778671.db2.gz VNLRQDPIIGPAOT-UXHICEINSA-N 1 3 372.513 1.398 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000560773339 545601477 /nfs/dbraw/zinc/60/14/77/545601477.db2.gz BEOTVVXTSNJJJP-KRWDZBQOSA-N 1 3 364.534 1.380 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000560773339 545601481 /nfs/dbraw/zinc/60/14/81/545601481.db2.gz BEOTVVXTSNJJJP-KRWDZBQOSA-N 1 3 364.534 1.380 20 30 FDEDHO COc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1C#N 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C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)c2)CC1 ZINC001085432860 924679741 /nfs/dbraw/zinc/67/97/41/924679741.db2.gz TYUBNGZEQWHRAO-RTBURBONSA-N 1 3 357.502 1.282 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001085432794 924680180 /nfs/dbraw/zinc/68/01/80/924680180.db2.gz PRECOQKGURMLGW-XUVXKRRUSA-N 1 3 361.530 1.918 20 30 FDEDHO C=CCCCCCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370716 929392557 /nfs/dbraw/zinc/39/25/57/929392557.db2.gz YYAGOXDBELLHEG-MSOLQXFVSA-N 1 3 362.522 1.708 20 30 FDEDHO C=CCCCCCN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370716 929392568 /nfs/dbraw/zinc/39/25/68/929392568.db2.gz YYAGOXDBELLHEG-MSOLQXFVSA-N 1 3 362.522 1.708 20 30 FDEDHO C=CCCN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129485191 938440825 /nfs/dbraw/zinc/44/08/25/938440825.db2.gz YYQNMBSUQKPOJH-MSOLQXFVSA-N 1 3 360.506 1.462 20 30 FDEDHO C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001130293000 938796379 /nfs/dbraw/zinc/79/63/79/938796379.db2.gz HHORNHRWVBTBTO-LMMKCTJWSA-N 1 3 364.534 1.378 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590531 939897698 /nfs/dbraw/zinc/89/76/98/939897698.db2.gz VLPKHMXXCKEIRW-UHOSZYNNSA-N 1 3 359.518 1.753 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1c1cncn1C ZINC001130994230 940416526 /nfs/dbraw/zinc/41/65/26/940416526.db2.gz OKRPTQYDFGEGPV-QZTJIDSGSA-N 1 3 371.529 1.592 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131003327 940429587 /nfs/dbraw/zinc/42/95/87/940429587.db2.gz DCQFLRXMNPZANC-BRWVUGGUSA-N 1 3 365.497 1.560 20 30 FDEDHO COc1ccc(C#N)cc1CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091035891 948534809 /nfs/dbraw/zinc/53/48/09/948534809.db2.gz MNZYCZXKGMQXKO-WLHONDITSA-N 1 3 370.497 1.891 20 30 FDEDHO COc1ccc(C#N)cc1CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001091035891 948534816 /nfs/dbraw/zinc/53/48/16/948534816.db2.gz MNZYCZXKGMQXKO-WLHONDITSA-N 1 3 370.497 1.891 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001086978964 952991793 /nfs/dbraw/zinc/99/17/93/952991793.db2.gz BALIBTAITFNZPC-ZWKOTPCHSA-N 1 3 357.502 1.202 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133057 957617770 /nfs/dbraw/zinc/61/77/70/957617770.db2.gz NPUAMYIAIIHYLQ-CRAIPNDOSA-N 1 3 370.472 1.977 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000855404833 970338873 /nfs/dbraw/zinc/33/88/73/970338873.db2.gz XPNQIAIUGMTKCJ-HXUWFJFHSA-N 1 3 355.482 1.215 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000855404833 970338883 /nfs/dbraw/zinc/33/88/83/970338883.db2.gz XPNQIAIUGMTKCJ-HXUWFJFHSA-N 1 3 355.482 1.215 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)CC1 ZINC000847483393 975707829 /nfs/dbraw/zinc/70/78/29/975707829.db2.gz AHZNSTRSFCCJFM-HXUWFJFHSA-N 1 3 373.545 1.381 20 30 FDEDHO CN(C)C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2O1 ZINC000884232328 983006465 /nfs/dbraw/zinc/00/64/65/983006465.db2.gz OCTWKQOCKIUCPE-QNBXZPKWSA-N 1 3 354.454 1.482 20 30 FDEDHO CN(C)C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2O1 ZINC000884232327 983006584 /nfs/dbraw/zinc/00/65/84/983006584.db2.gz OCTWKQOCKIUCPE-KMFGOTIKSA-N 1 3 354.454 1.482 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000297016325 989461506 /nfs/dbraw/zinc/46/15/06/989461506.db2.gz VUEJGIZIQBNAPM-HXUWFJFHSA-N 1 3 372.513 1.532 20 30 FDEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000297016325 989461508 /nfs/dbraw/zinc/46/15/08/989461508.db2.gz VUEJGIZIQBNAPM-HXUWFJFHSA-N 1 3 372.513 1.532 20 30 FDEDHO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876716782 992825349 /nfs/dbraw/zinc/82/53/49/992825349.db2.gz NCCSZKZFRRLFBW-ZRGWGRIASA-N 1 3 356.470 1.361 20 30 FDEDHO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876716782 992825357 /nfs/dbraw/zinc/82/53/57/992825357.db2.gz NCCSZKZFRRLFBW-ZRGWGRIASA-N 1 3 356.470 1.361 20 30 FDEDHO C#CCN(C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C1CCN(C)CC1 ZINC000925918206 995825630 /nfs/dbraw/zinc/82/56/30/995825630.db2.gz KVNATIQLOAXSCP-IBGZPJMESA-N 1 3 357.502 1.813 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)ccc1N1CCOCC1 ZINC000267449774 999338547 /nfs/dbraw/zinc/33/85/47/999338547.db2.gz RCXXQJNLFDBIHU-QGZVFWFLSA-N 1 3 363.481 1.551 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652147136 1016769015 /nfs/dbraw/zinc/76/90/15/1016769015.db2.gz JPGDMZPZYJUGKA-LNLFQRSKSA-N 1 3 364.534 1.955 20 30 FDEDHO C[NH+](C)CC1(O)CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000931483754 1004200363 /nfs/dbraw/zinc/20/03/63/1004200363.db2.gz HOIQEQLNVMSWNC-UHFFFAOYSA-N 1 3 364.877 1.929 20 30 FDEDHO C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)N1CCC[C@H](C)C1 ZINC000303903375 1009685247 /nfs/dbraw/zinc/68/52/47/1009685247.db2.gz UJRJRMSYMZKRFT-JKSUJKDBSA-N 1 3 367.538 1.974 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c(OC)cc(OC)cc1OC ZINC000304746166 1010476750 /nfs/dbraw/zinc/47/67/50/1010476750.db2.gz FQQHHMGYSCYDMO-CQSZACIVSA-N 1 3 364.490 1.644 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000304771494 1010490124 /nfs/dbraw/zinc/49/01/24/1010490124.db2.gz AELRDUNWEHPDRX-GOSISDBHSA-N 1 3 358.465 1.943 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000550784022 543173635 /nfs/dbraw/zinc/17/36/35/543173635.db2.gz OPJZDMCICUVMKL-KRWDZBQOSA-N 1 3 364.534 1.381 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000550784022 543173638 /nfs/dbraw/zinc/17/36/38/543173638.db2.gz OPJZDMCICUVMKL-KRWDZBQOSA-N 1 3 364.534 1.381 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000553330674 543610993 /nfs/dbraw/zinc/61/09/93/543610993.db2.gz PPCUBQTUFIJNJW-MSOLQXFVSA-N 1 3 362.518 1.227 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000553330674 543610997 /nfs/dbraw/zinc/61/09/97/543610997.db2.gz PPCUBQTUFIJNJW-MSOLQXFVSA-N 1 3 362.518 1.227 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000368417931 260180160 /nfs/dbraw/zinc/18/01/60/260180160.db2.gz VFJXWIUXFFHSGV-LGYWMIHWSA-N 1 3 373.497 1.777 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000368417931 260180161 /nfs/dbraw/zinc/18/01/61/260180161.db2.gz VFJXWIUXFFHSGV-LGYWMIHWSA-N 1 3 373.497 1.777 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000181636019 525883544 /nfs/dbraw/zinc/88/35/44/525883544.db2.gz OVHSFOMTMLONOZ-HXUWFJFHSA-N 1 3 372.513 1.703 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000181636019 525883552 /nfs/dbraw/zinc/88/35/52/525883552.db2.gz OVHSFOMTMLONOZ-HXUWFJFHSA-N 1 3 372.513 1.703 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000181635987 525883669 /nfs/dbraw/zinc/88/36/69/525883669.db2.gz OVHSFOMTMLONOZ-FQEVSTJZSA-N 1 3 372.513 1.703 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000181635987 525883673 /nfs/dbraw/zinc/88/36/73/525883673.db2.gz OVHSFOMTMLONOZ-FQEVSTJZSA-N 1 3 372.513 1.703 20 30 FDEDHO CN1CCC([NH+]2CCC(NC[C@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000582236191 551194420 /nfs/dbraw/zinc/19/44/20/551194420.db2.gz GAXFCRAOEQPQGL-FQEVSTJZSA-N 1 3 372.513 1.446 20 30 FDEDHO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000591741260 551905486 /nfs/dbraw/zinc/90/54/86/551905486.db2.gz DIKHERHHEBKWGS-QUCCMNQESA-N 1 3 373.497 1.583 20 30 FDEDHO CN1CCN(CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439714 552311097 /nfs/dbraw/zinc/31/10/97/552311097.db2.gz UNCOPWORDADFLJ-PMACEKPBSA-N 1 3 371.529 1.893 20 30 FDEDHO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000594444676 552311850 /nfs/dbraw/zinc/31/18/50/552311850.db2.gz BIMZMMKONBQGFR-RTBURBONSA-N 1 3 358.486 1.805 20 30 FDEDHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000595255720 552506201 /nfs/dbraw/zinc/50/62/01/552506201.db2.gz AQYMZRPBXYBQFG-UAGQMJEPSA-N 1 3 362.449 1.807 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619828120 555841117 /nfs/dbraw/zinc/84/11/17/555841117.db2.gz MCOVTOKUXYIKJY-UHFFFAOYSA-N 1 3 351.882 1.846 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000303876847 676543525 /nfs/dbraw/zinc/54/35/25/676543525.db2.gz FBJFOCJLEGUCJM-LSDHHAIUSA-N 1 3 353.511 1.775 20 30 FDEDHO CC[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)N1CCCC1 ZINC000303874901 676543544 /nfs/dbraw/zinc/54/35/44/676543544.db2.gz DGELHIRHHNAGPN-HNNXBMFYSA-N 1 3 353.511 1.728 20 30 FDEDHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCCOC1 ZINC000329389603 676636727 /nfs/dbraw/zinc/63/67/27/676636727.db2.gz RYBPXKGDSGOJCA-JKSUJKDBSA-N 1 3 352.523 1.864 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000419571974 680280435 /nfs/dbraw/zinc/28/04/35/680280435.db2.gz PWADIGOCWQVCET-GVDBMIGSSA-N 1 3 350.507 1.187 20 30 FDEDHO COc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000971561111 777642850 /nfs/dbraw/zinc/64/28/50/777642850.db2.gz SFQSRTWGPOHAFV-ATZDWAIDSA-N 1 3 370.497 1.940 20 30 FDEDHO COc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000971561111 777642853 /nfs/dbraw/zinc/64/28/53/777642853.db2.gz SFQSRTWGPOHAFV-ATZDWAIDSA-N 1 3 370.497 1.940 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022104944 777951205 /nfs/dbraw/zinc/95/12/05/777951205.db2.gz HYAGRDMMDZGSCI-NKGKWGDASA-N 1 3 356.470 1.644 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022104944 777951207 /nfs/dbraw/zinc/95/12/07/777951207.db2.gz HYAGRDMMDZGSCI-NKGKWGDASA-N 1 3 356.470 1.644 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)NCC#C[C@H]3CCCCO3)CC2)CC1 ZINC000892522078 786726791 /nfs/dbraw/zinc/72/67/91/786726791.db2.gz OTQWTHQFSOLBSE-LJQANCHMSA-N 1 3 362.518 1.417 20 30 FDEDHO C=CC[C@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC[NH2+]1 ZINC000662748472 803008681 /nfs/dbraw/zinc/00/86/81/803008681.db2.gz VSPRXTCCZYZMNM-OAQYLSRUSA-N 1 3 357.498 1.958 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000419737996 812162636 /nfs/dbraw/zinc/16/26/36/812162636.db2.gz YQQNAMKFURTDTG-UHFFFAOYSA-N 1 3 374.529 1.023 20 30 FDEDHO O[C@@H]1CC[C@H]2C[N@H+](CC#CCN3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700359 830424888 /nfs/dbraw/zinc/42/48/88/830424888.db2.gz NSGGCHZGCCPGOQ-WHVWYTALSA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@H]2C[N@@H+](CC#CCN3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700359 830424891 /nfs/dbraw/zinc/42/48/91/830424891.db2.gz NSGGCHZGCCPGOQ-WHVWYTALSA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@H]2CN(CC#CC[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700359 830424892 /nfs/dbraw/zinc/42/48/92/830424892.db2.gz NSGGCHZGCCPGOQ-WHVWYTALSA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@H]2CN(CC#CC[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700359 830424897 /nfs/dbraw/zinc/42/48/97/830424897.db2.gz NSGGCHZGCCPGOQ-WHVWYTALSA-N 1 3 360.542 1.956 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672790 845206983 /nfs/dbraw/zinc/20/69/83/845206983.db2.gz DGPYXOGLRRXPTP-LFGUQSLTSA-N 1 3 351.535 1.869 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C(C)C ZINC000911204155 858308443 /nfs/dbraw/zinc/30/84/43/858308443.db2.gz VJTAXLLUGAFPOF-YLJYHZDGSA-N 1 3 362.518 1.156 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCC)CC3)CC1 ZINC001107643663 906220296 /nfs/dbraw/zinc/22/02/96/906220296.db2.gz QJEAQBAAQREBCN-TZIWHRDSSA-N 1 3 361.530 1.729 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCC)CC3)CC1 ZINC001107643663 906220310 /nfs/dbraw/zinc/22/03/10/906220310.db2.gz QJEAQBAAQREBCN-TZIWHRDSSA-N 1 3 361.530 1.729 20 30 FDEDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1C#N ZINC001082559875 908616242 /nfs/dbraw/zinc/61/62/42/908616242.db2.gz RJXCBGFRRJALFT-LXGCGDOSSA-N 1 3 370.497 1.844 20 30 FDEDHO C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)C1=O ZINC001082941693 911033344 /nfs/dbraw/zinc/03/33/44/911033344.db2.gz HNCJWWWHQRUHGV-KZNAEPCWSA-N 1 3 362.518 1.086 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548548 931472521 /nfs/dbraw/zinc/47/25/21/931472521.db2.gz FRVCLKCRTXFETB-UWVAXJGDSA-N 1 3 364.534 1.237 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1c1cncn1C ZINC001131038304 940466490 /nfs/dbraw/zinc/46/64/90/940466490.db2.gz KTROGIICHXSCSN-RTBURBONSA-N 1 3 371.529 1.592 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1c1cncn1C ZINC001131038304 940466492 /nfs/dbraw/zinc/46/64/92/940466492.db2.gz KTROGIICHXSCSN-RTBURBONSA-N 1 3 371.529 1.592 20 30 FDEDHO C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193856 957752459 /nfs/dbraw/zinc/75/24/59/957752459.db2.gz OHSMHNZXCLZOPK-BHIYHBOVSA-N 1 3 357.473 1.813 20 30 FDEDHO C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193856 957752463 /nfs/dbraw/zinc/75/24/63/957752463.db2.gz OHSMHNZXCLZOPK-BHIYHBOVSA-N 1 3 357.473 1.813 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193952 957753511 /nfs/dbraw/zinc/75/35/11/957753511.db2.gz QYTPIQWSCGNSFJ-UWWQBHOKSA-N 1 3 358.461 1.833 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193952 957753514 /nfs/dbraw/zinc/75/35/14/957753514.db2.gz QYTPIQWSCGNSFJ-UWWQBHOKSA-N 1 3 358.461 1.833 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](C)C2)CC1 ZINC001094240407 960159435 /nfs/dbraw/zinc/15/94/35/960159435.db2.gz XHWRMWKQZWRGMH-CRAIPNDOSA-N 1 3 358.486 1.512 20 30 FDEDHO C=C(CN1CCCC1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001183042999 962754768 /nfs/dbraw/zinc/75/47/68/962754768.db2.gz JGJBEODZAIVATC-OXJNMPFZSA-N 1 3 374.460 1.727 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000848394172 976715515 /nfs/dbraw/zinc/71/55/15/976715515.db2.gz HQTAWNFGLMPNFW-HOCLYGCPSA-N 1 3 358.442 1.945 20 30 FDEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000293345134 988042852 /nfs/dbraw/zinc/04/28/52/988042852.db2.gz KKIQIQOJJFVVMQ-UHFFFAOYSA-N 1 3 370.497 1.335 20 30 FDEDHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876713833 992819511 /nfs/dbraw/zinc/81/95/11/992819511.db2.gz UJCJXBAFAZQWMR-IEBWSBKVSA-N 1 3 356.470 1.218 20 30 FDEDHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876713833 992819526 /nfs/dbraw/zinc/81/95/26/992819526.db2.gz UJCJXBAFAZQWMR-IEBWSBKVSA-N 1 3 356.470 1.218 20 30 FDEDHO C#CCNC(=O)[C@@H](C)N(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857844 1003593803 /nfs/dbraw/zinc/59/38/03/1003593803.db2.gz HNNDUWZABFSTRI-FGTMMUONSA-N 1 3 357.498 1.866 20 30 FDEDHO C#CCNC(=O)[C@@H](C)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857844 1003593813 /nfs/dbraw/zinc/59/38/13/1003593813.db2.gz HNNDUWZABFSTRI-FGTMMUONSA-N 1 3 357.498 1.866 20 30 FDEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1 ZINC000303869558 1009644953 /nfs/dbraw/zinc/64/49/53/1009644953.db2.gz DWJXBYWVPMYOCR-HNNXBMFYSA-N 1 3 363.506 1.704 20 30 FDEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)CN1CCN(C)CC1 ZINC000303897393 1009681975 /nfs/dbraw/zinc/68/19/75/1009681975.db2.gz VAXKENTYLNQPOT-HNNXBMFYSA-N 1 3 361.490 1.458 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000529304466 539817496 /nfs/dbraw/zinc/81/74/96/539817496.db2.gz FGSAWBMVFRSWIM-GOSISDBHSA-N 1 3 350.507 1.437 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000550910748 543198550 /nfs/dbraw/zinc/19/85/50/543198550.db2.gz UIZAWNYIOASGCG-UHFFFAOYSA-N 1 3 362.518 1.134 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000559389723 544669866 /nfs/dbraw/zinc/66/98/66/544669866.db2.gz XEXUMVLTYUJSPY-KRWDZBQOSA-N 1 3 350.507 1.012 20 30 FDEDHO C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)NC1CCN(C2CC2)CC1 ZINC000162197670 525225497 /nfs/dbraw/zinc/22/54/97/525225497.db2.gz PDCMQIWSAFQTKG-UHFFFAOYSA-N 1 3 358.412 1.731 20 30 FDEDHO CN(C)CCNC(=O)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000177727278 525335573 /nfs/dbraw/zinc/33/55/73/525335573.db2.gz VNJXNCKOVJMTKW-UHFFFAOYSA-N 1 3 358.486 1.717 20 30 FDEDHO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H](O)CN1CCCCC1 ZINC000266995242 536945914 /nfs/dbraw/zinc/94/59/14/536945914.db2.gz XFBLSAUMBHPMNF-HNNXBMFYSA-N 1 3 358.408 1.957 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(C)C ZINC000236670915 537594589 /nfs/dbraw/zinc/59/45/89/537594589.db2.gz VGCIHINTQVFUIN-SFHVURJKSA-N 1 3 360.506 1.631 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417073525 537997470 /nfs/dbraw/zinc/99/74/70/537997470.db2.gz YAQUHXLBRBXWEG-MOPGFXCFSA-N 1 3 363.550 1.374 20 30 FDEDHO Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1CN(C)C ZINC000411392135 538069999 /nfs/dbraw/zinc/06/99/99/538069999.db2.gz SRMFKJAGYHJJDN-UHFFFAOYSA-N 1 3 373.501 1.689 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(C)C ZINC000424125901 538242286 /nfs/dbraw/zinc/24/22/86/538242286.db2.gz AWTJNKBLTJHGRF-AEFFLSMTSA-N 1 3 360.506 1.631 20 30 FDEDHO CC1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000563140044 546422161 /nfs/dbraw/zinc/42/21/61/546422161.db2.gz AZRQFNHUDKWOHH-RBUKOAKNSA-N 1 3 361.486 1.175 20 30 FDEDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H](N)CCCC#N ZINC000566197302 547654435 /nfs/dbraw/zinc/65/44/35/547654435.db2.gz UYDLKRNUKUYXGR-IBGZPJMESA-N 1 3 363.550 1.662 20 30 FDEDHO CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1)[C@@H]1CCCN(C)C1 ZINC000592167998 551952724 /nfs/dbraw/zinc/95/27/24/551952724.db2.gz SAGKFZYHGCTTGJ-MSOLQXFVSA-N 1 3 371.485 1.812 20 30 FDEDHO C[NH+](C)CCn1c2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2oc1=O ZINC000594436306 552309669 /nfs/dbraw/zinc/30/96/69/552309669.db2.gz CZEVKIHNHBHUDE-AWEZNQCLSA-N 1 3 359.430 1.506 20 30 FDEDHO Cc1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c(C#N)c(N2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000596262164 552669283 /nfs/dbraw/zinc/66/92/83/552669283.db2.gz AWQSXZXEENSOLC-GIYDNNGJSA-N 1 3 366.513 1.542 20 30 FDEDHO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C#N)c(N2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000596262164 552669284 /nfs/dbraw/zinc/66/92/84/552669284.db2.gz AWQSXZXEENSOLC-GIYDNNGJSA-N 1 3 366.513 1.542 20 30 FDEDHO N#CC1(C[C@H](O)CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000600722910 553307210 /nfs/dbraw/zinc/30/72/10/553307210.db2.gz RXHWTZHPFZJYQN-OALUTQOASA-N 1 3 370.497 1.528 20 30 FDEDHO N#CC1(C[C@H](O)CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000600722910 553307212 /nfs/dbraw/zinc/30/72/12/553307212.db2.gz RXHWTZHPFZJYQN-OALUTQOASA-N 1 3 370.497 1.528 20 30 FDEDHO N#CC1(C[C@H](O)C[NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000600722910 553307214 /nfs/dbraw/zinc/30/72/14/553307214.db2.gz RXHWTZHPFZJYQN-OALUTQOASA-N 1 3 370.497 1.528 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000621844700 556169074 /nfs/dbraw/zinc/16/90/74/556169074.db2.gz VPXYSDBBSJVJBR-MBOZVWFJSA-N 1 3 362.518 1.141 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000627371378 557375255 /nfs/dbraw/zinc/37/52/55/557375255.db2.gz COLFGJDCBGIYCJ-IXDOHACOSA-N 1 3 350.507 1.058 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000104181372 671595058 /nfs/dbraw/zinc/59/50/58/671595058.db2.gz UYEAOYWIFCYWFZ-HNNXBMFYSA-N 1 3 353.511 1.632 20 30 FDEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CCN(C)CC2)cc1Cl ZINC000303880591 676543456 /nfs/dbraw/zinc/54/34/56/676543456.db2.gz KIBHMLASJUISTF-CYBMUJFWSA-N 1 3 353.898 1.959 20 30 FDEDHO CC[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)N1CCCC1 ZINC000303874902 676543527 /nfs/dbraw/zinc/54/35/27/676543527.db2.gz DGELHIRHHNAGPN-OAHLLOKOSA-N 1 3 353.511 1.728 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1csc(N2CCCC2)n1 ZINC000304756542 676544446 /nfs/dbraw/zinc/54/44/46/676544446.db2.gz NTGJTTCJVIGRNR-HNNXBMFYSA-N 1 3 350.536 1.674 20 30 FDEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481071 771864898 /nfs/dbraw/zinc/86/48/98/771864898.db2.gz CTLZLDUBUVOIAG-KBGGIIEESA-N 1 3 357.498 1.091 20 30 FDEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481489 771916004 /nfs/dbraw/zinc/91/60/04/771916004.db2.gz OMXOTNCIIUEYPA-UJRDFLTJSA-N 1 3 359.514 1.644 20 30 FDEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682473 789384171 /nfs/dbraw/zinc/38/41/71/789384171.db2.gz SEWJNZLKRPMIOU-IAGOWNOFSA-N 1 3 366.550 1.341 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000892851368 791454199 /nfs/dbraw/zinc/45/41/99/791454199.db2.gz ILSBRQITXXDYPV-MSOLQXFVSA-N 1 3 350.507 1.268 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673450 804826014 /nfs/dbraw/zinc/82/60/14/804826014.db2.gz KGZXBOSRPAXQTB-HLAWJBBLSA-N 1 3 369.509 1.705 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673450 804826018 /nfs/dbraw/zinc/82/60/18/804826018.db2.gz KGZXBOSRPAXQTB-HLAWJBBLSA-N 1 3 369.509 1.705 20 30 FDEDHO C=C(CC)CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000418888820 809297767 /nfs/dbraw/zinc/29/77/67/809297767.db2.gz PHYDWGONUXYYSP-UHFFFAOYSA-N 1 3 358.486 1.179 20 30 FDEDHO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000262470982 827154639 /nfs/dbraw/zinc/15/46/39/827154639.db2.gz OXCMAWXGHDFZQD-LJQANCHMSA-N 1 3 367.497 1.742 20 30 FDEDHO C=CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000985443167 827861019 /nfs/dbraw/zinc/86/10/19/827861019.db2.gz VSDGHFSJDXCTGW-KBAYOESNSA-N 1 3 362.518 1.036 20 30 FDEDHO C=CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000985443167 827861027 /nfs/dbraw/zinc/86/10/27/827861027.db2.gz VSDGHFSJDXCTGW-KBAYOESNSA-N 1 3 362.518 1.036 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000264089896 838510212 /nfs/dbraw/zinc/51/02/12/838510212.db2.gz KPTOUOJGRWOTMJ-PXNSSMCTSA-N 1 3 373.545 1.796 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000668835732 857452953 /nfs/dbraw/zinc/45/29/53/857452953.db2.gz ISROOENMOALMPU-KRWDZBQOSA-N 1 3 364.534 1.380 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OCC(F)(F)F)nc1 ZINC000187048805 887584770 /nfs/dbraw/zinc/58/47/70/887584770.db2.gz DYFNTZVISYYPDQ-CQSZACIVSA-N 1 3 373.423 1.954 20 30 FDEDHO CC#CC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079246245 902258165 /nfs/dbraw/zinc/25/81/65/902258165.db2.gz XZVWITLNBWEDOA-RBUKOAKNSA-N 1 3 359.514 1.433 20 30 FDEDHO COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402284 904737925 /nfs/dbraw/zinc/73/79/25/904737925.db2.gz KHSHTFVMPUFFNZ-SFHLNBCPSA-N 1 3 361.530 1.870 20 30 FDEDHO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402284 904737935 /nfs/dbraw/zinc/73/79/35/904737935.db2.gz KHSHTFVMPUFFNZ-SFHLNBCPSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cccn2)CC1 ZINC001085431575 924669037 /nfs/dbraw/zinc/66/90/37/924669037.db2.gz KAXIPPFOXWOLBQ-RTBURBONSA-N 1 3 357.502 1.245 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453782 938421030 /nfs/dbraw/zinc/42/10/30/938421030.db2.gz JFMGSOYEWHPVEO-MSOLQXFVSA-N 1 3 360.506 1.462 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1n1ccnn1 ZINC001130137097 938710042 /nfs/dbraw/zinc/71/00/42/938710042.db2.gz IQEKELGHLOTNCB-MOPGFXCFSA-N 1 3 368.485 1.571 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131003502 940429693 /nfs/dbraw/zinc/42/96/93/940429693.db2.gz HLSGVMMUYIKPQY-BZUAXINKSA-N 1 3 351.470 1.170 20 30 FDEDHO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001131519115 940687714 /nfs/dbraw/zinc/68/77/14/940687714.db2.gz GBCFBEWYLFAHOZ-QRVBRYPASA-N 1 3 367.534 1.515 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC001086882519 952914414 /nfs/dbraw/zinc/91/44/14/952914414.db2.gz UQNOOHZTPNJRNM-FXAWDEMLSA-N 1 3 371.529 1.182 20 30 FDEDHO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276057 954669897 /nfs/dbraw/zinc/66/98/97/954669897.db2.gz BCKHHPUWFFQRDB-LESCRADOSA-N 1 3 355.910 1.488 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C)CC1 ZINC001093221807 957849154 /nfs/dbraw/zinc/84/91/54/957849154.db2.gz DNIKNODIIWVFTJ-YLJYHZDGSA-N 1 3 354.498 1.611 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2C)CC1 ZINC001093221807 957849168 /nfs/dbraw/zinc/84/91/68/957849168.db2.gz DNIKNODIIWVFTJ-YLJYHZDGSA-N 1 3 354.498 1.611 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(F)ccc1C#N ZINC001094221165 960046483 /nfs/dbraw/zinc/04/64/83/960046483.db2.gz VACYPTLLAAZZTH-QGPMSJSTSA-N 1 3 358.461 1.833 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(F)ccc1C#N ZINC001094221165 960046492 /nfs/dbraw/zinc/04/64/92/960046492.db2.gz VACYPTLLAAZZTH-QGPMSJSTSA-N 1 3 358.461 1.833 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3CC)[C@H](C)C2)CC1 ZINC001094239979 960158082 /nfs/dbraw/zinc/15/80/82/960158082.db2.gz LSKWTKSGJMYHHZ-IEBWSBKVSA-N 1 3 371.529 1.432 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](C)C2)CC1 ZINC001094240019 960159221 /nfs/dbraw/zinc/15/92/21/960159221.db2.gz NCTGSEHRHQCRBX-CRAIPNDOSA-N 1 3 358.486 1.512 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)CC1 ZINC001094240439 960160856 /nfs/dbraw/zinc/16/08/56/960160856.db2.gz ZHFBLYSKKRIWLE-GDBMZVCRSA-N 1 3 361.515 1.067 20 30 FDEDHO C#CCN(C)CCCNC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000854094062 968587974 /nfs/dbraw/zinc/58/79/74/968587974.db2.gz CFOAMHNPZRDQLH-HXUWFJFHSA-N 1 3 356.514 1.900 20 30 FDEDHO C#CCN(C)CCCNC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000854094062 968587985 /nfs/dbraw/zinc/58/79/85/968587985.db2.gz CFOAMHNPZRDQLH-HXUWFJFHSA-N 1 3 356.514 1.900 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000883343677 982086446 /nfs/dbraw/zinc/08/64/46/982086446.db2.gz VTEIMRZFBUDOEI-GOSISDBHSA-N 1 3 350.507 1.579 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000369403569 989050480 /nfs/dbraw/zinc/05/04/80/989050480.db2.gz VTDVQRXCUGMMSJ-QXAKKESOSA-N 1 3 364.534 1.825 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000369403569 989050494 /nfs/dbraw/zinc/05/04/94/989050494.db2.gz VTDVQRXCUGMMSJ-QXAKKESOSA-N 1 3 364.534 1.825 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000297016318 989461681 /nfs/dbraw/zinc/46/16/81/989461681.db2.gz VUEJGIZIQBNAPM-FQEVSTJZSA-N 1 3 372.513 1.532 20 30 FDEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000297016318 989461686 /nfs/dbraw/zinc/46/16/86/989461686.db2.gz VUEJGIZIQBNAPM-FQEVSTJZSA-N 1 3 372.513 1.532 20 30 FDEDHO C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371301444 990348603 /nfs/dbraw/zinc/34/86/03/990348603.db2.gz FVFYAEVYCUQTMB-YLJYHZDGSA-N 1 3 369.513 1.845 20 30 FDEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000876896668 992957442 /nfs/dbraw/zinc/95/74/42/992957442.db2.gz KLSNHCFZRGFDGD-DLBZAZTESA-N 1 3 351.878 1.864 20 30 FDEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)CN1CCN(C)CC1 ZINC000303897394 1009682047 /nfs/dbraw/zinc/68/20/47/1009682047.db2.gz VAXKENTYLNQPOT-OAHLLOKOSA-N 1 3 361.490 1.458 20 30 FDEDHO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(OCCN(C)C)c2)c1C#N ZINC000542833724 490911890 /nfs/dbraw/zinc/91/18/90/490911890.db2.gz HQQAGQGBZXKQQE-UHFFFAOYSA-N 1 3 371.445 1.021 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000178727336 525471347 /nfs/dbraw/zinc/47/13/47/525471347.db2.gz WJBSUMPKLVUCLR-RTBURBONSA-N 1 3 364.534 1.704 20 30 FDEDHO C=CCNC(=O)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189956410 537120848 /nfs/dbraw/zinc/12/08/48/537120848.db2.gz CUSFYTJTQOHYQC-HOTGVXAUSA-N 1 3 358.486 1.744 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000247541071 537130777 /nfs/dbraw/zinc/13/07/77/537130777.db2.gz CZRMNCHYCKKWFF-FUHWJXTLSA-N 1 3 362.518 1.086 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000247541071 537130778 /nfs/dbraw/zinc/13/07/78/537130778.db2.gz CZRMNCHYCKKWFF-FUHWJXTLSA-N 1 3 362.518 1.086 20 30 FDEDHO C[NH+](C)C1CCN(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280357729 537402157 /nfs/dbraw/zinc/40/21/57/537402157.db2.gz KZDCMKJINFRMCY-SFHVURJKSA-N 1 3 353.470 1.383 20 30 FDEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000293518611 537497744 /nfs/dbraw/zinc/49/77/44/537497744.db2.gz YQTOAQBBXKRTHD-UHFFFAOYSA-N 1 3 358.486 1.538 20 30 FDEDHO CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)Nc1ccc(C#N)cc1)C2 ZINC000285643414 537741091 /nfs/dbraw/zinc/74/10/91/537741091.db2.gz LJMNCRPXXTYEHO-IRXDYDNUSA-N 1 3 355.442 1.763 20 30 FDEDHO N#Cc1cccc(CN2CCC([NH2+]C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000593323316 552089642 /nfs/dbraw/zinc/08/96/42/552089642.db2.gz UDHNNOZSLXJKBT-IBGZPJMESA-N 1 3 369.513 1.310 20 30 FDEDHO N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000594444673 552311748 /nfs/dbraw/zinc/31/17/48/552311748.db2.gz BIMZMMKONBQGFR-MOPGFXCFSA-N 1 3 358.486 1.805 20 30 FDEDHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600718672 553306578 /nfs/dbraw/zinc/30/65/78/553306578.db2.gz QVTHSOKBERJQTR-HXUWFJFHSA-N 1 3 356.514 1.968 20 30 FDEDHO N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCOCC1 ZINC000600736836 553309311 /nfs/dbraw/zinc/30/93/11/553309311.db2.gz SWMUYUXVFJXBQA-UXHICEINSA-N 1 3 373.497 1.414 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178566113 672143623 /nfs/dbraw/zinc/14/36/23/672143623.db2.gz HCWIFCSRMDIEES-GJZGRUSLSA-N 1 3 353.511 1.775 20 30 FDEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CC[C@]2(CCOC2)C1 ZINC000261989625 672707499 /nfs/dbraw/zinc/70/74/99/672707499.db2.gz QZYBBZUXCVUAPJ-SFHVURJKSA-N 1 3 350.507 1.319 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000303971860 676544024 /nfs/dbraw/zinc/54/40/24/676544024.db2.gz FFJAOXBPADMRAV-OAHLLOKOSA-N 1 3 353.511 1.775 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000419567091 680279136 /nfs/dbraw/zinc/27/91/36/680279136.db2.gz HOZLDEOKZSIUKJ-GVDBMIGSSA-N 1 3 350.507 1.058 20 30 FDEDHO CCN1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435439244 681594043 /nfs/dbraw/zinc/59/40/43/681594043.db2.gz UHYNCHBDRYLSDM-AWEZNQCLSA-N 1 3 370.544 1.656 20 30 FDEDHO C=C(C)[C@H](CO)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001167529410 781805562 /nfs/dbraw/zinc/80/55/62/781805562.db2.gz LECOIBITEZOQIA-FQEVSTJZSA-N 1 3 359.514 1.884 20 30 FDEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832752 793956281 /nfs/dbraw/zinc/95/62/81/793956281.db2.gz RJOVKBQJWJRQHC-QZTJIDSGSA-N 1 3 364.534 1.095 20 30 FDEDHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)CC[N@@H+]1C ZINC000978184528 805282767 /nfs/dbraw/zinc/28/27/67/805282767.db2.gz VAQDNUJOWCMDRK-CBFGRJNTSA-N 1 3 352.482 1.692 20 30 FDEDHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC000978184528 805282775 /nfs/dbraw/zinc/28/27/75/805282775.db2.gz VAQDNUJOWCMDRK-CBFGRJNTSA-N 1 3 352.482 1.692 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720128 809246287 /nfs/dbraw/zinc/24/62/87/809246287.db2.gz ATBSRGQPDRGOHF-SLFFLAALSA-N 1 3 355.482 1.172 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720128 809246290 /nfs/dbraw/zinc/24/62/90/809246290.db2.gz ATBSRGQPDRGOHF-SLFFLAALSA-N 1 3 355.482 1.172 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)C(C)C ZINC000422962531 814912986 /nfs/dbraw/zinc/91/29/86/814912986.db2.gz FZYUCOSAIVVCPA-KRWDZBQOSA-N 1 3 362.518 1.156 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)[C@@H]2CC)CC1 ZINC001087839163 822560309 /nfs/dbraw/zinc/56/03/09/822560309.db2.gz OBUVYFQBEHPGRU-RBUKOAKNSA-N 1 3 357.502 1.197 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)[C@@H]2CC)CC1 ZINC001087839163 822560312 /nfs/dbraw/zinc/56/03/12/822560312.db2.gz OBUVYFQBEHPGRU-RBUKOAKNSA-N 1 3 357.502 1.197 20 30 FDEDHO CC(=O)N1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000330087717 825627515 /nfs/dbraw/zinc/62/75/15/825627515.db2.gz NMENWTSWBFMRSG-HNNXBMFYSA-N 1 3 365.522 1.012 20 30 FDEDHO C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202149 827451197 /nfs/dbraw/zinc/45/11/97/827451197.db2.gz MVLXZQHEEINEPS-OIISXLGYSA-N 1 3 355.910 1.488 20 30 FDEDHO O[C@@H]1CC[C@H]2C[N@H+](CC#CCN3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700358 830424516 /nfs/dbraw/zinc/42/45/16/830424516.db2.gz NSGGCHZGCCPGOQ-VFPNFYTQSA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@H]2C[N@@H+](CC#CCN3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700358 830424521 /nfs/dbraw/zinc/42/45/21/830424521.db2.gz NSGGCHZGCCPGOQ-VFPNFYTQSA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@H]2CN(CC#CC[N@@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700358 830424526 /nfs/dbraw/zinc/42/45/26/830424526.db2.gz NSGGCHZGCCPGOQ-VFPNFYTQSA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@H]2CN(CC#CC[N@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700358 830424531 /nfs/dbraw/zinc/42/45/31/830424531.db2.gz NSGGCHZGCCPGOQ-VFPNFYTQSA-N 1 3 360.542 1.956 20 30 FDEDHO C[NH+]=C(NCC(C)(C)N1CCC(OC)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262824430 831551966 /nfs/dbraw/zinc/55/19/66/831551966.db2.gz ZIAZDVNQKPNLTK-KRWDZBQOSA-N 1 3 363.550 1.397 20 30 FDEDHO C=CCNCc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128106957 896958328 /nfs/dbraw/zinc/95/83/28/896958328.db2.gz JVROJJPBOSBQIF-KBAYOESNSA-N 1 3 357.502 1.392 20 30 FDEDHO C=CCNCc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128106957 896958333 /nfs/dbraw/zinc/95/83/33/896958333.db2.gz JVROJJPBOSBQIF-KBAYOESNSA-N 1 3 357.502 1.392 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150850 907262128 /nfs/dbraw/zinc/26/21/28/907262128.db2.gz GWSXBHWLLIZGEF-LBQNXCCASA-N 1 3 367.493 1.620 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2OC)CC1 ZINC001082384103 907386510 /nfs/dbraw/zinc/38/65/10/907386510.db2.gz CRKSZCOFELGYKD-RTBURBONSA-N 1 3 361.530 1.583 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2OC)CC1 ZINC001082384103 907386524 /nfs/dbraw/zinc/38/65/24/907386524.db2.gz CRKSZCOFELGYKD-RTBURBONSA-N 1 3 361.530 1.583 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082740811 909936136 /nfs/dbraw/zinc/93/61/36/909936136.db2.gz GYEUZTTVALSDLW-JTDSTZFVSA-N 1 3 370.497 1.988 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082740811 909936142 /nfs/dbraw/zinc/93/61/42/909936142.db2.gz GYEUZTTVALSDLW-JTDSTZFVSA-N 1 3 370.497 1.988 20 30 FDEDHO C#CCN1CCC(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000730758536 917269919 /nfs/dbraw/zinc/26/99/19/917269919.db2.gz CKQPPBIHCLYODZ-UHFFFAOYSA-N 1 3 361.530 1.871 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1n1ccnn1 ZINC001129954459 938576331 /nfs/dbraw/zinc/57/63/31/938576331.db2.gz OEMNMIWDXIDLAY-SJORKVTESA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001130307694 938805366 /nfs/dbraw/zinc/80/53/66/938805366.db2.gz ZCLNYGYAOVVILW-XLIONFOSSA-N 1 3 364.534 1.378 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130603101 939914972 /nfs/dbraw/zinc/91/49/72/939914972.db2.gz YRDKMPCDGMLHBO-LZLYRXPVSA-N 1 3 363.481 1.007 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131008015 940434413 /nfs/dbraw/zinc/43/44/13/940434413.db2.gz RVVUCAVSZYAHSN-IPMKNSEASA-N 1 3 371.529 1.305 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131008015 940434418 /nfs/dbraw/zinc/43/44/18/940434418.db2.gz RVVUCAVSZYAHSN-IPMKNSEASA-N 1 3 371.529 1.305 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1c1cncn1C ZINC001131035974 940465126 /nfs/dbraw/zinc/46/51/26/940465126.db2.gz XHAIUKWMXWPZCO-QZTJIDSGSA-N 1 3 371.529 1.449 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070076 940484290 /nfs/dbraw/zinc/48/42/90/940484290.db2.gz DYFITKOILYBASR-RCCFBDPRSA-N 1 3 359.518 1.755 20 30 FDEDHO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001131570421 940746282 /nfs/dbraw/zinc/74/62/82/940746282.db2.gz GBCFBEWYLFAHOZ-QYZOEREBSA-N 1 3 367.534 1.515 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)CC1 ZINC001086882165 952913933 /nfs/dbraw/zinc/91/39/33/952913933.db2.gz CYFRZVZUCFBTAC-FXAWDEMLSA-N 1 3 371.529 1.448 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccnc3C)C2)CC1 ZINC001086882414 952914421 /nfs/dbraw/zinc/91/44/21/952914421.db2.gz PVSHOSIFRQAXIV-PKOBYXMFSA-N 1 3 369.513 1.505 20 30 FDEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093458900 958286754 /nfs/dbraw/zinc/28/67/54/958286754.db2.gz HURDAHYNLKLMFL-IKVWTGGYSA-N 1 3 361.530 1.460 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)cn3)[C@H](C)C2)CC1 ZINC001094239889 960157994 /nfs/dbraw/zinc/15/79/94/960157994.db2.gz INERXKSJJVXLHK-VQIMIIECSA-N 1 3 369.513 1.314 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@H](C)OC)CC3)CC1 ZINC001094581459 960879850 /nfs/dbraw/zinc/87/98/50/960879850.db2.gz BOXKTESDZWMQJG-FBBABVLZSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C[C@H](C)OC)CC3)CC1 ZINC001094581459 960879864 /nfs/dbraw/zinc/87/98/64/960879864.db2.gz BOXKTESDZWMQJG-FBBABVLZSA-N 1 3 361.530 1.727 20 30 FDEDHO O=C(C#CC1CC[NH2+]CC1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000852869537 967675385 /nfs/dbraw/zinc/67/53/85/967675385.db2.gz CJGWHQZLXBOAAY-UHFFFAOYSA-N 1 3 373.472 1.788 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865194043 974174728 /nfs/dbraw/zinc/17/47/28/974174728.db2.gz RLKRTOBSHRCWEA-HNNXBMFYSA-N 1 3 354.495 1.208 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000848394171 976715379 /nfs/dbraw/zinc/71/53/79/976715379.db2.gz HQTAWNFGLMPNFW-GOEBONIOSA-N 1 3 358.442 1.945 20 30 FDEDHO CN(C)c1ccc(C#N)cc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000876644876 992766249 /nfs/dbraw/zinc/76/62/49/992766249.db2.gz CYHABSRDVRKRFF-UHFFFAOYSA-N 1 3 357.502 1.514 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(=O)N(C)C)c1 ZINC000264081756 997398196 /nfs/dbraw/zinc/39/81/96/997398196.db2.gz IUDNNVQYMYCGMS-MRXNPFEDSA-N 1 3 361.490 1.042 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000104170256 998312341 /nfs/dbraw/zinc/31/23/41/998312341.db2.gz PCKSBCCNHFODDC-OALUTQOASA-N 1 3 359.518 1.449 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000557767451 544344016 /nfs/dbraw/zinc/34/40/16/544344016.db2.gz NSHQYXNQLMJASC-SJORKVTESA-N 1 3 350.507 1.132 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000173275680 524360987 /nfs/dbraw/zinc/36/09/87/524360987.db2.gz SNIOZLLHEKOZKL-UHFFFAOYSA-N 1 3 374.485 1.332 20 30 FDEDHO C[NH+]=C(NCc1ccco1)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000103338593 525349591 /nfs/dbraw/zinc/34/95/91/525349591.db2.gz SAIWWPOCTGMSTQ-UHFFFAOYSA-N 1 3 357.458 1.436 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171764713 526112597 /nfs/dbraw/zinc/11/25/97/526112597.db2.gz YNMFYDIDQOEGBY-IBGZPJMESA-N 1 3 363.550 1.448 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171764713 526112609 /nfs/dbraw/zinc/11/26/09/526112609.db2.gz YNMFYDIDQOEGBY-IBGZPJMESA-N 1 3 363.550 1.448 20 30 FDEDHO CC(C)[NH+]1CCC(O)(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280363364 537401732 /nfs/dbraw/zinc/40/17/32/537401732.db2.gz LKYBQZWFXMGWHG-GOSISDBHSA-N 1 3 354.454 1.592 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000561453436 545858200 /nfs/dbraw/zinc/85/82/00/545858200.db2.gz VQQOZBHBPFLYMK-QGZVFWFLSA-N 1 3 362.518 1.087 20 30 FDEDHO N#CCCC[C@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570679372 549371938 /nfs/dbraw/zinc/37/19/38/549371938.db2.gz UGVYDBPGCCHALD-MSOLQXFVSA-N 1 3 371.485 1.021 20 30 FDEDHO N#CCCC[C@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000570679372 549371940 /nfs/dbraw/zinc/37/19/40/549371940.db2.gz UGVYDBPGCCHALD-MSOLQXFVSA-N 1 3 371.485 1.021 20 30 FDEDHO COc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(F)cc1C#N ZINC000599814070 553154423 /nfs/dbraw/zinc/15/44/23/553154423.db2.gz SRQAIOAMBLDNQZ-UHFFFAOYSA-N 1 3 351.426 1.663 20 30 FDEDHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000600724677 553307691 /nfs/dbraw/zinc/30/76/91/553307691.db2.gz HDHAXOMILGNOFQ-IEBWSBKVSA-N 1 3 358.486 1.056 20 30 FDEDHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000330274131 568077430 /nfs/dbraw/zinc/07/74/30/568077430.db2.gz JPMXHXRCJAEYIT-GHTZIAJQSA-N 1 3 372.513 1.706 20 30 FDEDHO CC[NH+]=C(NC[C@H](C)N1CCC[C@@H](C)C1)NC1CCN(C(C)=O)CC1 ZINC000262176881 672741220 /nfs/dbraw/zinc/74/12/20/672741220.db2.gz DDDCLERBHGGHMW-CVEARBPZSA-N 1 3 351.539 1.673 20 30 FDEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CCN(CCOC)CC1 ZINC000262394034 672782371 /nfs/dbraw/zinc/78/23/71/672782371.db2.gz MPTKGIWTEPSPIT-BBWFWOEESA-N 1 3 352.523 1.466 20 30 FDEDHO COCCN(C)CCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303877821 676543512 /nfs/dbraw/zinc/54/35/12/676543512.db2.gz FRCKXTLHORDLCX-UHFFFAOYSA-N 1 3 351.470 1.231 20 30 FDEDHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000469793323 684986433 /nfs/dbraw/zinc/98/64/33/684986433.db2.gz CXOWDEPZVBZNLX-BBWFWOEESA-N 1 3 350.507 1.664 20 30 FDEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481136 771872328 /nfs/dbraw/zinc/87/23/28/771872328.db2.gz FHALYNRHMWUOJB-KBGGIIEESA-N 1 3 357.498 1.091 20 30 FDEDHO C=CCN1CC[C@H](N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1=O ZINC000662326720 806483612 /nfs/dbraw/zinc/48/36/12/806483612.db2.gz APPSCMNLRONVIC-IBGZPJMESA-N 1 3 357.502 1.843 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCCOC3)[C@@H]2CC)CC1 ZINC001087840079 822558900 /nfs/dbraw/zinc/55/89/00/822558900.db2.gz GUJSHTOYBVOBBU-YZGWKJHDSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCCOC3)[C@@H]2CC)CC1 ZINC001087840079 822558902 /nfs/dbraw/zinc/55/89/02/822558902.db2.gz GUJSHTOYBVOBBU-YZGWKJHDSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN(C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCN(C)CC1 ZINC000910885776 857837171 /nfs/dbraw/zinc/83/71/71/857837171.db2.gz NAGLFWGFTBOPHM-UHFFFAOYSA-N 1 3 374.529 1.019 20 30 FDEDHO C#CCN(C(=O)NCc1ccccc1OCC[NH+](C)C)C1CCN(C)CC1 ZINC000915361021 876132439 /nfs/dbraw/zinc/13/24/39/876132439.db2.gz MCSPILKMEOCLGC-UHFFFAOYSA-N 1 3 372.513 1.866 20 30 FDEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106665819 876475653 /nfs/dbraw/zinc/47/56/53/876475653.db2.gz CSNMASHTSVVPRI-MBOZVWFJSA-N 1 3 367.509 1.533 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1c1ccc(F)cc1 ZINC001079161337 902085431 /nfs/dbraw/zinc/08/54/31/902085431.db2.gz KBDGOVLAZZAZQW-RBUKOAKNSA-N 1 3 355.457 1.829 20 30 FDEDHO CC#CC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259901 902296466 /nfs/dbraw/zinc/29/64/66/902296466.db2.gz UIKBJHXMQOBIKM-GBESFXJTSA-N 1 3 359.514 1.291 20 30 FDEDHO CC#CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260774 902298642 /nfs/dbraw/zinc/29/86/42/902298642.db2.gz ORNQEUQFGFIESZ-CEXWTWQISA-N 1 3 359.514 1.433 20 30 FDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408962 907822116 /nfs/dbraw/zinc/82/21/16/907822116.db2.gz QHEHQENBPZYYRO-HAGHYFMRSA-N 1 3 361.530 1.985 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)c3)C2)CC1 ZINC001082941492 911017850 /nfs/dbraw/zinc/01/78/50/911017850.db2.gz SXNDXZOTANJNCZ-DYESRHJHSA-N 1 3 369.509 1.977 20 30 FDEDHO CN1CCN(c2ccc(C=NNC(=S)NCCC[NH+](C)C)cc2)CC1 ZINC000771561979 930743404 /nfs/dbraw/zinc/74/34/04/930743404.db2.gz ZGNFDJUSBPBLHT-UHFFFAOYSA-N 1 3 362.547 1.188 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001131007710 940434117 /nfs/dbraw/zinc/43/41/17/940434117.db2.gz HNVDGZBVYAJJFA-QZTJIDSGSA-N 1 3 359.518 1.755 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001131007842 940434459 /nfs/dbraw/zinc/43/44/59/940434459.db2.gz NSLIXVDLQDWERQ-LMMKCTJWSA-N 1 3 359.518 1.611 20 30 FDEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000815860724 941995914 /nfs/dbraw/zinc/99/59/14/941995914.db2.gz XVHKMJTZKGDCSQ-UHFFFAOYSA-N 1 3 370.497 1.335 20 30 FDEDHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@H](O)c2ccc(C#N)cc2)c1 ZINC000819007140 943382947 /nfs/dbraw/zinc/38/29/47/943382947.db2.gz FJABOSYHHORYDW-FQEVSTJZSA-N 1 3 366.465 1.673 20 30 FDEDHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087088269 953250430 /nfs/dbraw/zinc/25/04/30/953250430.db2.gz QTYTYOXXGJRFHK-IEBWSBKVSA-N 1 3 367.453 1.477 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001093672992 958514729 /nfs/dbraw/zinc/51/47/29/958514729.db2.gz HOLVKRXZWXKBOQ-LSBZLQRGSA-N 1 3 358.461 1.976 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000848394170 976715703 /nfs/dbraw/zinc/71/57/03/976715703.db2.gz HQTAWNFGLMPNFW-GDBMZVCRSA-N 1 3 358.442 1.945 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC000883343637 982086634 /nfs/dbraw/zinc/08/66/34/982086634.db2.gz UHKAEHOUWJKLOB-UHFFFAOYSA-N 1 3 350.507 1.579 20 30 FDEDHO CN(C)C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2O1 ZINC000884232329 983006965 /nfs/dbraw/zinc/00/69/65/983006965.db2.gz OCTWKQOCKIUCPE-SIRSKZSMSA-N 1 3 354.454 1.482 20 30 FDEDHO Cc1ccc(CN2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1 ZINC000884465910 983171171 /nfs/dbraw/zinc/17/11/71/983171171.db2.gz MSCDJKMVNZQOQQ-KYBDOYODSA-N 1 3 352.482 1.825 20 30 FDEDHO C#CCN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000886581462 986384322 /nfs/dbraw/zinc/38/43/22/986384322.db2.gz XZKBRQNSNXPIHY-UHFFFAOYSA-N 1 3 368.525 1.755 20 30 FDEDHO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000366726862 988757701 /nfs/dbraw/zinc/75/77/01/988757701.db2.gz ZGGLJSKEDMZFTP-QFBILLFUSA-N 1 3 364.534 1.825 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000297067323 989470002 /nfs/dbraw/zinc/47/00/02/989470002.db2.gz LVXXCWPXHOOENU-UHFFFAOYSA-N 1 3 361.490 1.166 20 30 FDEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000875712174 991929817 /nfs/dbraw/zinc/92/98/17/991929817.db2.gz CFJIJDHCMMHHLU-HNAYVOBHSA-N 1 3 357.502 1.597 20 30 FDEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000875712174 991929819 /nfs/dbraw/zinc/92/98/19/991929819.db2.gz CFJIJDHCMMHHLU-HNAYVOBHSA-N 1 3 357.502 1.597 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000876747036 992867062 /nfs/dbraw/zinc/86/70/62/992867062.db2.gz STJJYNYKDLDMEV-GFCCVEGCSA-N 1 3 352.822 1.565 20 30 FDEDHO C#CCC1(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCOCC1 ZINC000925424139 995586649 /nfs/dbraw/zinc/58/66/49/995586649.db2.gz UITZZBCZDDMKCN-UHFFFAOYSA-N 1 3 361.530 1.871 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1 ZINC000264090026 997399714 /nfs/dbraw/zinc/39/97/14/997399714.db2.gz KSBNUSWYTVZIAF-SFHVURJKSA-N 1 3 357.502 1.698 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCN1C(=O)c2ccccc2C1=O ZINC000267439780 999336000 /nfs/dbraw/zinc/33/60/00/999336000.db2.gz OWNQQDODSSJPBQ-OAHLLOKOSA-N 1 3 371.485 1.451 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(COC)OCCc2ccccc21 ZINC000290691933 1000153553 /nfs/dbraw/zinc/15/35/53/1000153553.db2.gz RETHJARLCRZXTB-XLIONFOSSA-N 1 3 360.502 1.490 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCOCC1 ZINC000245910880 1006209004 /nfs/dbraw/zinc/20/90/04/1006209004.db2.gz PCKSBCCNHFODDC-RTBURBONSA-N 1 3 359.518 1.449 20 30 FDEDHO C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000303903364 1009685777 /nfs/dbraw/zinc/68/57/77/1009685777.db2.gz UJRJRMSYMZKRFT-CVEARBPZSA-N 1 3 367.538 1.974 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000550721915 543158509 /nfs/dbraw/zinc/15/85/09/543158509.db2.gz RLVJBUBQCCXHDX-UHFFFAOYSA-N 1 3 357.380 1.537 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000557731358 544337379 /nfs/dbraw/zinc/33/73/79/544337379.db2.gz RGYWUSHMHVOUKF-UHFFFAOYSA-N 1 3 362.518 1.230 20 30 FDEDHO C[C@H](CCNC(=[NH2+])NCCCN1CCOCC1)N(C)Cc1ccccc1 ZINC000083052662 524234759 /nfs/dbraw/zinc/23/47/59/524234759.db2.gz IWDZFOGFEOSMKH-GOSISDBHSA-N 1 3 361.534 1.524 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000089896886 524539074 /nfs/dbraw/zinc/53/90/74/524539074.db2.gz IAGODXNYNLOJJV-VQTJNVASSA-N 1 3 372.513 1.571 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000154284281 525481795 /nfs/dbraw/zinc/48/17/95/525481795.db2.gz XUXWUELBTJBCMC-YOFSQIOKSA-N 1 3 358.530 1.101 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000154284281 525481800 /nfs/dbraw/zinc/48/18/00/525481800.db2.gz XUXWUELBTJBCMC-YOFSQIOKSA-N 1 3 358.530 1.101 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000130537662 525767784 /nfs/dbraw/zinc/76/77/84/525767784.db2.gz XOTHXFNAPCXVNN-UHFFFAOYSA-N 1 3 365.865 1.102 20 30 FDEDHO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000189995331 537125357 /nfs/dbraw/zinc/12/53/57/537125357.db2.gz VQSHXZNPQQMORQ-PMPSAXMXSA-N 1 3 354.495 1.113 20 30 FDEDHO CN(C)c1cc(C#N)cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000293152868 537371298 /nfs/dbraw/zinc/37/12/98/537371298.db2.gz VAULOWAHJGSJDW-UHFFFAOYSA-N 1 3 369.513 1.913 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997975 537598004 /nfs/dbraw/zinc/59/80/04/537598004.db2.gz AQEGLZWOELPQGL-RBUKOAKNSA-N 1 3 371.529 1.466 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)N(CCC)CCN2CCN(CC)CC2)CC1 ZINC000460261077 538475909 /nfs/dbraw/zinc/47/59/09/538475909.db2.gz RDLUHGQQGKMEIA-UHFFFAOYSA-N 1 3 365.566 1.696 20 30 FDEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H](O)CN(C)CCC#N ZINC000577602694 550674013 /nfs/dbraw/zinc/67/40/13/550674013.db2.gz JZYYXBBOJFJLAA-QWFCFKBJSA-N 1 3 358.530 1.939 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000580791156 551018983 /nfs/dbraw/zinc/01/89/83/551018983.db2.gz WDZHWISSMNEENI-KRWDZBQOSA-N 1 3 350.507 1.134 20 30 FDEDHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541731 551238748 /nfs/dbraw/zinc/23/87/48/551238748.db2.gz GQYSHSBXGBMYAT-IEBWSBKVSA-N 1 3 361.486 1.583 20 30 FDEDHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541731 551238749 /nfs/dbraw/zinc/23/87/49/551238749.db2.gz GQYSHSBXGBMYAT-IEBWSBKVSA-N 1 3 361.486 1.583 20 30 FDEDHO N#Cc1cnn2cc(CNCC3CC[NH+](C4CCOCC4)CC3)cnc12 ZINC000597176650 552757908 /nfs/dbraw/zinc/75/79/08/552757908.db2.gz KEBAONOYNJVSHB-UHFFFAOYSA-N 1 3 354.458 1.582 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1CS(C)(=O)=O ZINC000304743938 676544374 /nfs/dbraw/zinc/54/43/74/676544374.db2.gz DMAVEZQZMMGDDC-MRXNPFEDSA-N 1 3 352.504 1.120 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374616314 678088417 /nfs/dbraw/zinc/08/84/17/678088417.db2.gz YYQSVPZMHORJIA-ZWKOTPCHSA-N 1 3 350.551 1.900 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374616314 678088419 /nfs/dbraw/zinc/08/84/19/678088419.db2.gz YYQSVPZMHORJIA-ZWKOTPCHSA-N 1 3 350.551 1.900 20 30 FDEDHO COC[C@]1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCC[NH2+]1 ZINC000418658576 809108787 /nfs/dbraw/zinc/10/87/87/809108787.db2.gz TUMUZQBZMMCSJC-HXUWFJFHSA-N 1 3 373.501 1.400 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])C(C)C ZINC000419572119 812026086 /nfs/dbraw/zinc/02/60/86/812026086.db2.gz QFMRDNQCVZRZLB-FGTMMUONSA-N 1 3 364.534 1.387 20 30 FDEDHO C=C(C)CN(CC)CC(=O)N1CCN(C(=O)C[N@H+](CC)CC(=C)C)CC1 ZINC000514849666 816012670 /nfs/dbraw/zinc/01/26/70/816012670.db2.gz MBZXJIHIDHYRHY-UHFFFAOYSA-N 1 3 364.534 1.453 20 30 FDEDHO C=C(C)CN(CC)CC(=O)N1CCN(C(=O)C[N@@H+](CC)CC(=C)C)CC1 ZINC000514849666 816012677 /nfs/dbraw/zinc/01/26/77/816012677.db2.gz MBZXJIHIDHYRHY-UHFFFAOYSA-N 1 3 364.534 1.453 20 30 FDEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000729592917 830134907 /nfs/dbraw/zinc/13/49/07/830134907.db2.gz NXKOUWOLLOBFLO-IPMKNSEASA-N 1 3 364.534 1.847 20 30 FDEDHO C#CCN(C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452238 852901314 /nfs/dbraw/zinc/90/13/14/852901314.db2.gz NNRUYBGCXXDIOB-RTBURBONSA-N 1 3 357.502 1.011 20 30 FDEDHO C#CCN(C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1)C1CCN(C)CC1 ZINC000910882448 857831066 /nfs/dbraw/zinc/83/10/66/857831066.db2.gz FNIYCENXLPSTJZ-UHFFFAOYSA-N 1 3 374.529 1.019 20 30 FDEDHO C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704942 876880825 /nfs/dbraw/zinc/88/08/25/876880825.db2.gz KGPIOZIKEQXQLR-HZPDHXFCSA-N 1 3 361.490 1.061 20 30 FDEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106730749 877225649 /nfs/dbraw/zinc/22/56/49/877225649.db2.gz NQUSAKHKOPNLFT-KURKYZTESA-N 1 3 364.534 1.236 20 30 FDEDHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107426098 904847363 /nfs/dbraw/zinc/84/73/63/904847363.db2.gz FZSTVJSKTKNJPC-SFHLNBCPSA-N 1 3 361.530 1.871 20 30 FDEDHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107426098 904847370 /nfs/dbraw/zinc/84/73/70/904847370.db2.gz FZSTVJSKTKNJPC-SFHLNBCPSA-N 1 3 361.530 1.871 20 30 FDEDHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107426098 904847387 /nfs/dbraw/zinc/84/73/87/904847387.db2.gz FZSTVJSKTKNJPC-SFHLNBCPSA-N 1 3 361.530 1.871 20 30 FDEDHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107426098 904847407 /nfs/dbraw/zinc/84/74/07/904847407.db2.gz FZSTVJSKTKNJPC-SFHLNBCPSA-N 1 3 361.530 1.871 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2C)CC1 ZINC001080997966 906974224 /nfs/dbraw/zinc/97/42/24/906974224.db2.gz QFVSIUVURMUDDT-YLJYHZDGSA-N 1 3 361.530 1.585 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2C)CC1 ZINC001080997966 906974226 /nfs/dbraw/zinc/97/42/26/906974226.db2.gz QFVSIUVURMUDDT-YLJYHZDGSA-N 1 3 361.530 1.585 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)C[C@@H]1n1ccnn1 ZINC001129884653 938538860 /nfs/dbraw/zinc/53/88/60/938538860.db2.gz QHFVYIFHDMBECB-KURKYZTESA-N 1 3 360.506 1.460 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130640004 939931996 /nfs/dbraw/zinc/93/19/96/939931996.db2.gz VDXYWUTXBOPOQN-FUHWJXTLSA-N 1 3 357.502 1.202 20 30 FDEDHO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001131510313 940658902 /nfs/dbraw/zinc/65/89/02/940658902.db2.gz AONRJJJHSUVLOF-KSZLIROESA-N 1 3 353.482 1.285 20 30 FDEDHO CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001131510693 940660566 /nfs/dbraw/zinc/66/05/66/940660566.db2.gz XKNXTLVPYXXNBM-OTWHNJEPSA-N 1 3 367.509 1.675 20 30 FDEDHO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001131596982 940780444 /nfs/dbraw/zinc/78/04/44/940780444.db2.gz DZAXLZMKAMTMSY-QUCCMNQESA-N 1 3 367.534 1.517 20 30 FDEDHO C#CCNC(=O)CC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000819333026 943530090 /nfs/dbraw/zinc/53/00/90/943530090.db2.gz FKBFBLZCLCXNDA-FQEVSTJZSA-N 1 3 369.509 1.644 20 30 FDEDHO C#CCNC(=O)CCNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333026 943530097 /nfs/dbraw/zinc/53/00/97/943530097.db2.gz FKBFBLZCLCXNDA-FQEVSTJZSA-N 1 3 369.509 1.644 20 30 FDEDHO C#CCNC(=O)CCNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333026 943530103 /nfs/dbraw/zinc/53/01/03/943530103.db2.gz FKBFBLZCLCXNDA-FQEVSTJZSA-N 1 3 369.509 1.644 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)CC1 ZINC001086882379 952913872 /nfs/dbraw/zinc/91/38/72/952913872.db2.gz OKDOPIKBXXCXDS-FXAWDEMLSA-N 1 3 369.513 1.505 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2C)CC1 ZINC001093222412 957849385 /nfs/dbraw/zinc/84/93/85/957849385.db2.gz LMCGYPHIGKVGRG-UYAOXDASSA-N 1 3 368.525 1.919 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2C)CC1 ZINC001093222412 957849399 /nfs/dbraw/zinc/84/93/99/957849399.db2.gz LMCGYPHIGKVGRG-UYAOXDASSA-N 1 3 368.525 1.919 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2C)CC1 ZINC001093224219 957853063 /nfs/dbraw/zinc/85/30/63/957853063.db2.gz NYXTVDNKRNOQEW-DYESRHJHSA-N 1 3 368.525 1.919 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2C)CC1 ZINC001093224219 957853066 /nfs/dbraw/zinc/85/30/66/957853066.db2.gz NYXTVDNKRNOQEW-DYESRHJHSA-N 1 3 368.525 1.919 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCCCC)C[C@H]32)CC1 ZINC001190317582 967731323 /nfs/dbraw/zinc/73/13/23/967731323.db2.gz ICFUVCFFJCKQPT-VQTJNVASSA-N 1 3 361.530 1.681 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCCCC)C[C@H]32)CC1 ZINC001190317582 967731327 /nfs/dbraw/zinc/73/13/27/967731327.db2.gz ICFUVCFFJCKQPT-VQTJNVASSA-N 1 3 361.530 1.681 20 30 FDEDHO C#CCC[NH+]1CCC(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000866014804 974622703 /nfs/dbraw/zinc/62/27/03/974622703.db2.gz FNDHMFDANWPGCM-INIZCTEOSA-N 1 3 366.506 1.045 20 30 FDEDHO CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000884306596 983071260 /nfs/dbraw/zinc/07/12/60/983071260.db2.gz ISNWAJQVNMHKDY-JMDAGXMHSA-N 1 3 352.482 1.859 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000369403568 989050946 /nfs/dbraw/zinc/05/09/46/989050946.db2.gz VTDVQRXCUGMMSJ-NZSAHSFTSA-N 1 3 364.534 1.825 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000369403568 989050958 /nfs/dbraw/zinc/05/09/58/989050958.db2.gz VTDVQRXCUGMMSJ-NZSAHSFTSA-N 1 3 364.534 1.825 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876917672 992965590 /nfs/dbraw/zinc/96/55/90/992965590.db2.gz ATVUPCFWXHMQCR-CQSZACIVSA-N 1 3 352.866 1.379 20 30 FDEDHO CCNC(=O)COc1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000264095969 997401370 /nfs/dbraw/zinc/40/13/70/997401370.db2.gz MQDRVVDJZLFQRQ-INIZCTEOSA-N 1 3 361.490 1.090 20 30 FDEDHO C[NH+](C)CCCN(CCC#N)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000266860073 999250291 /nfs/dbraw/zinc/25/02/91/999250291.db2.gz RRBLHAQCILJNTH-UHFFFAOYSA-N 1 3 371.529 1.893 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC000284210928 999780508 /nfs/dbraw/zinc/78/05/08/999780508.db2.gz WSHRFVPNVVVTCU-ZWKOTPCHSA-N 1 3 364.534 1.211 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000284210928 999780511 /nfs/dbraw/zinc/78/05/11/999780511.db2.gz WSHRFVPNVVVTCU-ZWKOTPCHSA-N 1 3 364.534 1.211 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1)C(C)C ZINC000642769872 1007891056 /nfs/dbraw/zinc/89/10/56/1007891056.db2.gz OVNSVUNWYLRPTC-RCCFBDPRSA-N 1 3 364.534 1.387 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000303906167 1009688346 /nfs/dbraw/zinc/68/83/46/1009688346.db2.gz ZTJCCKFMHULUOU-INIZCTEOSA-N 1 3 363.481 1.551 20 30 FDEDHO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132917 540814462 /nfs/dbraw/zinc/81/44/62/540814462.db2.gz FJMIOMUPCAIZRL-LPHOPBHVSA-N 1 3 351.539 1.387 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000553735456 543689179 /nfs/dbraw/zinc/68/91/79/543689179.db2.gz UKBLZXYUDJRSOA-HNNXBMFYSA-N 1 3 352.523 1.236 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000559389726 544669889 /nfs/dbraw/zinc/66/98/89/544669889.db2.gz XEXUMVLTYUJSPY-QGZVFWFLSA-N 1 3 350.507 1.012 20 30 FDEDHO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000328960401 259069297 /nfs/dbraw/zinc/06/92/97/259069297.db2.gz QJGKVACXCBPXNZ-SLYNCCJLSA-N 1 3 372.513 1.256 20 30 FDEDHO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000328960401 259069298 /nfs/dbraw/zinc/06/92/98/259069298.db2.gz QJGKVACXCBPXNZ-SLYNCCJLSA-N 1 3 372.513 1.256 20 30 FDEDHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000368822502 260241943 /nfs/dbraw/zinc/24/19/43/260241943.db2.gz KSCOVAXEGIHXDO-FQEVSTJZSA-N 1 3 356.514 1.941 20 30 FDEDHO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375071 525283225 /nfs/dbraw/zinc/28/32/25/525283225.db2.gz GGCOYRHUEQTGRB-QGZVFWFLSA-N 1 3 363.550 1.675 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1OC ZINC000104179058 525398765 /nfs/dbraw/zinc/39/87/65/525398765.db2.gz KABFWHIHYODNHV-OAHLLOKOSA-N 1 3 364.490 1.644 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC2CCOCC2)c1 ZINC000267398009 536975881 /nfs/dbraw/zinc/97/58/81/536975881.db2.gz FGMDSELYMGXOEY-INIZCTEOSA-N 1 3 361.490 1.528 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000574301888 550292470 /nfs/dbraw/zinc/29/24/70/550292470.db2.gz KYQFOGYIMZCKAW-UHFFFAOYSA-N 1 3 350.507 1.086 20 30 FDEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000593762723 552193504 /nfs/dbraw/zinc/19/35/04/552193504.db2.gz GLPXBRAHOVVEFP-CYBMUJFWSA-N 1 3 364.471 1.884 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000594449868 552312589 /nfs/dbraw/zinc/31/25/89/552312589.db2.gz PNXGBEXXYSYWSQ-INIZCTEOSA-N 1 3 359.474 1.320 20 30 FDEDHO N#Cc1ccc(CCN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892608 552629475 /nfs/dbraw/zinc/62/94/75/552629475.db2.gz NRCWGKFBOVLVMC-OALUTQOASA-N 1 3 353.470 1.321 20 30 FDEDHO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262756625 672843135 /nfs/dbraw/zinc/84/31/35/672843135.db2.gz DMWCXUVQEFMXDF-PKOBYXMFSA-N 1 3 367.607 1.949 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000267462453 673306805 /nfs/dbraw/zinc/30/68/05/673306805.db2.gz VNPZXCKLVZVKSH-YOEHRIQHSA-N 1 3 350.463 1.126 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(Br)c1 ZINC000283149982 675649224 /nfs/dbraw/zinc/64/92/24/675649224.db2.gz YWSRBQKHSJZEBZ-HUUCEWRRSA-N 1 3 369.307 1.871 20 30 FDEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024444772 784707061 /nfs/dbraw/zinc/70/70/61/784707061.db2.gz CNEBMTYSWKXHGH-ZCNNSNEGSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211678455 805351332 /nfs/dbraw/zinc/35/13/32/805351332.db2.gz XJGUBQGHIXHAJV-HLAWJBBLSA-N 1 3 369.509 1.705 20 30 FDEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000424139967 815316442 /nfs/dbraw/zinc/31/64/42/815316442.db2.gz ATKYGPYXGLKSAB-WBVHZDCISA-N 1 3 357.458 1.344 20 30 FDEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000424139967 815316448 /nfs/dbraw/zinc/31/64/48/815316448.db2.gz ATKYGPYXGLKSAB-WBVHZDCISA-N 1 3 357.458 1.344 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCCCO3)[C@@H]2CC)CC1 ZINC001087840174 822559261 /nfs/dbraw/zinc/55/92/61/822559261.db2.gz KWBOIEWUAKVITG-HSALFYBXSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCCCO3)[C@@H]2CC)CC1 ZINC001087840174 822559262 /nfs/dbraw/zinc/55/92/62/822559262.db2.gz KWBOIEWUAKVITG-HSALFYBXSA-N 1 3 361.530 1.870 20 30 FDEDHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908629 823745702 /nfs/dbraw/zinc/74/57/02/823745702.db2.gz ILQXLOBSEGJWIX-AABGKKOBSA-N 1 3 352.482 1.933 20 30 FDEDHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908629 823745704 /nfs/dbraw/zinc/74/57/04/823745704.db2.gz ILQXLOBSEGJWIX-AABGKKOBSA-N 1 3 352.482 1.933 20 30 FDEDHO CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000262341192 825499085 /nfs/dbraw/zinc/49/90/85/825499085.db2.gz XCGCCCSYTHJXNZ-LZLYRXPVSA-N 1 3 363.550 1.767 20 30 FDEDHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN(C2CCCC2)CC1 ZINC000330214794 825737177 /nfs/dbraw/zinc/73/71/77/825737177.db2.gz GKZSWQCMTWPBAX-RTBURBONSA-N 1 3 364.534 1.838 20 30 FDEDHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)cc4)C[C@H]3C2)C1 ZINC001088200038 827432714 /nfs/dbraw/zinc/43/27/14/827432714.db2.gz MVAZRGDMRVHIKG-AABGKKOBSA-N 1 3 352.482 1.790 20 30 FDEDHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C#N)cc4)C[C@H]3C2)C1 ZINC001088200038 827432719 /nfs/dbraw/zinc/43/27/19/827432719.db2.gz MVAZRGDMRVHIKG-AABGKKOBSA-N 1 3 352.482 1.790 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000453668964 830998494 /nfs/dbraw/zinc/99/84/94/830998494.db2.gz YGKCJYQDGNGWTF-LJQANCHMSA-N 1 3 370.497 1.941 20 30 FDEDHO C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105654993 842481048 /nfs/dbraw/zinc/48/10/48/842481048.db2.gz COARBBRUWZZIEW-IZBJGVDFSA-N 1 3 360.502 1.885 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105676279 845886079 /nfs/dbraw/zinc/88/60/79/845886079.db2.gz VDQGICHYKAISMG-IZBJGVDFSA-N 1 3 351.535 1.869 20 30 FDEDHO C=C(CC[NH+](C)C)C(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000911891441 859095266 /nfs/dbraw/zinc/09/52/66/859095266.db2.gz HAMHBGBASSGUOJ-UXHICEINSA-N 1 3 357.498 1.996 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]2O)CC1 ZINC001078227370 898429003 /nfs/dbraw/zinc/42/90/03/898429003.db2.gz WWIJJGHXMJCRJT-OTGCGEFBSA-N 1 3 361.530 1.319 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]2O)CC1 ZINC001078227370 898429008 /nfs/dbraw/zinc/42/90/08/898429008.db2.gz WWIJJGHXMJCRJT-OTGCGEFBSA-N 1 3 361.530 1.319 20 30 FDEDHO C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079135999 902005792 /nfs/dbraw/zinc/00/57/92/902005792.db2.gz ZKVFYZDRQDQAFS-CWJKEVGVSA-N 1 3 371.525 1.977 20 30 FDEDHO C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079135999 902005805 /nfs/dbraw/zinc/00/58/05/902005805.db2.gz ZKVFYZDRQDQAFS-CWJKEVGVSA-N 1 3 371.525 1.977 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082559850 908613852 /nfs/dbraw/zinc/61/38/52/908613852.db2.gz QWAISDTUUOGUBE-CDHQVMDDSA-N 1 3 370.497 1.866 20 30 FDEDHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1 ZINC001082741781 909941831 /nfs/dbraw/zinc/94/18/31/909941831.db2.gz COCUMNNKSCHCEJ-MBOZVWFJSA-N 1 3 370.497 1.867 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837572 938534974 /nfs/dbraw/zinc/53/49/74/938534974.db2.gz GEGAQSZMAHDTFR-KURKYZTESA-N 1 3 360.506 1.459 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131130174 940510784 /nfs/dbraw/zinc/51/07/84/940510784.db2.gz CEOOJOZWOUWXGU-QZTJIDSGSA-N 1 3 357.502 1.203 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131133045 940512664 /nfs/dbraw/zinc/51/26/64/940512664.db2.gz ZIDHVWLFLWAKGE-QWFCFKBJSA-N 1 3 371.529 1.448 20 30 FDEDHO CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001131510694 940660517 /nfs/dbraw/zinc/66/05/17/940660517.db2.gz XKNXTLVPYXXNBM-QRVBRYPASA-N 1 3 367.509 1.675 20 30 FDEDHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000819007143 943382871 /nfs/dbraw/zinc/38/28/71/943382871.db2.gz FJABOSYHHORYDW-HXUWFJFHSA-N 1 3 366.465 1.673 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090874170 947522107 /nfs/dbraw/zinc/52/21/07/947522107.db2.gz CWRMPSVBLNAVJI-ZCNNSNEGSA-N 1 3 357.498 1.799 20 30 FDEDHO C#CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090874211 947523547 /nfs/dbraw/zinc/52/35/47/947523547.db2.gz GBEYJAOVIUMJJJ-RBUKOAKNSA-N 1 3 355.482 1.697 20 30 FDEDHO C#CCCN1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091400427 951572944 /nfs/dbraw/zinc/57/29/44/951572944.db2.gz JAWUOOQPAILCBV-LSTHTHJFSA-N 1 3 370.497 1.514 20 30 FDEDHO C#CCCN1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091400427 951572947 /nfs/dbraw/zinc/57/29/47/951572947.db2.gz JAWUOOQPAILCBV-LSTHTHJFSA-N 1 3 370.497 1.514 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985937 953004830 /nfs/dbraw/zinc/00/48/30/953004830.db2.gz MBHFKDCEOBADSC-OTWHNJEPSA-N 1 3 357.502 1.058 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985937 953004831 /nfs/dbraw/zinc/00/48/31/953004831.db2.gz MBHFKDCEOBADSC-OTWHNJEPSA-N 1 3 357.502 1.058 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1c1cnn(C)c1 ZINC001087010609 953101819 /nfs/dbraw/zinc/10/18/19/953101819.db2.gz JDDQANWBIUNMRP-VQTJNVASSA-N 1 3 367.497 1.866 20 30 FDEDHO C=C(CN1CCCC1)C(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001183044063 962757804 /nfs/dbraw/zinc/75/78/04/962757804.db2.gz BVHADVIHIIHXKR-UHFFFAOYSA-N 1 3 359.474 1.531 20 30 FDEDHO C#CCN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1CCN(C)CC1 ZINC000923623064 986335015 /nfs/dbraw/zinc/33/50/15/986335015.db2.gz CJARBKJRICPODU-UHFFFAOYSA-N 1 3 358.490 1.711 20 30 FDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C2 ZINC001095430071 990267124 /nfs/dbraw/zinc/26/71/24/990267124.db2.gz CUJVOJWSGOQZFM-SLHNCBLASA-N 1 3 359.514 1.478 20 30 FDEDHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876713832 992818522 /nfs/dbraw/zinc/81/85/22/992818522.db2.gz UJCJXBAFAZQWMR-HKUYNNGSSA-N 1 3 356.470 1.218 20 30 FDEDHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876713832 992818529 /nfs/dbraw/zinc/81/85/29/992818529.db2.gz UJCJXBAFAZQWMR-HKUYNNGSSA-N 1 3 356.470 1.218 20 30 FDEDHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876713835 992818636 /nfs/dbraw/zinc/81/86/36/992818636.db2.gz UJCJXBAFAZQWMR-MJGOQNOKSA-N 1 3 356.470 1.218 20 30 FDEDHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876713835 992818644 /nfs/dbraw/zinc/81/86/44/992818644.db2.gz UJCJXBAFAZQWMR-MJGOQNOKSA-N 1 3 356.470 1.218 20 30 FDEDHO CN1CCN(C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)CC1 ZINC000879591658 995059901 /nfs/dbraw/zinc/05/99/01/995059901.db2.gz RVLCKHFGLIOHNY-HXUWFJFHSA-N 1 3 372.513 1.204 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000264090042 997401305 /nfs/dbraw/zinc/40/13/05/997401305.db2.gz KSWIHMXBQCCBDM-KRWDZBQOSA-N 1 3 355.490 1.773 20 30 FDEDHO COc1ccccc1CNC(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000264329909 997464115 /nfs/dbraw/zinc/46/41/15/997464115.db2.gz ZSEBPYBPHHLLSL-INIZCTEOSA-N 1 3 361.490 1.042 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000104166701 998311351 /nfs/dbraw/zinc/31/13/51/998311351.db2.gz DLPBTBXDZJPKDI-PMACEKPBSA-N 1 3 373.545 1.757 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000104170250 998312109 /nfs/dbraw/zinc/31/21/09/998312109.db2.gz PCKSBCCNHFODDC-MOPGFXCFSA-N 1 3 359.518 1.449 20 30 FDEDHO CCOCCCNC(=[NH2+])NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000303883944 1009672038 /nfs/dbraw/zinc/67/20/38/1009672038.db2.gz IXDWZCSVSSZAGG-UHFFFAOYSA-N 1 3 361.534 1.655 20 30 FDEDHO [NH2+]=C(NCCc1ccccc1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000303892625 1009679259 /nfs/dbraw/zinc/67/92/59/1009679259.db2.gz NSYKYNJKKSBQHV-HXUWFJFHSA-N 1 3 352.482 1.553 20 30 FDEDHO C[NH+](C)CCC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528353802 539752074 /nfs/dbraw/zinc/75/20/74/539752074.db2.gz NSQZUKZBNIQOGR-UHFFFAOYSA-N 1 3 353.466 1.950 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000553327029 543609754 /nfs/dbraw/zinc/60/97/54/543609754.db2.gz KPPCKIUKLCUFSB-UHFFFAOYSA-N 1 3 352.523 1.378 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000553329867 543610399 /nfs/dbraw/zinc/61/03/99/543610399.db2.gz RVVMYVFHYFZLKF-QFBILLFUSA-N 1 3 374.529 1.228 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000553329867 543610402 /nfs/dbraw/zinc/61/04/02/543610402.db2.gz RVVMYVFHYFZLKF-QFBILLFUSA-N 1 3 374.529 1.228 20 30 FDEDHO CN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378427715 262022953 /nfs/dbraw/zinc/02/29/53/262022953.db2.gz JGNWIVLENPKVHT-HXUWFJFHSA-N 1 3 369.513 1.275 20 30 FDEDHO CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378427714 262023520 /nfs/dbraw/zinc/02/35/20/262023520.db2.gz JGNWIVLENPKVHT-FQEVSTJZSA-N 1 3 369.513 1.275 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000073436758 522524810 /nfs/dbraw/zinc/52/48/10/522524810.db2.gz SYRGVYLXNWFRBT-UHFFFAOYSA-N 1 3 356.514 1.965 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000178727327 525472573 /nfs/dbraw/zinc/47/25/73/525472573.db2.gz WJBSUMPKLVUCLR-OALUTQOASA-N 1 3 364.534 1.704 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000185685971 536215150 /nfs/dbraw/zinc/21/51/50/536215150.db2.gz RBDNYNSAYLMLRO-QGZVFWFLSA-N 1 3 351.539 1.352 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000264106105 537137839 /nfs/dbraw/zinc/13/78/39/537137839.db2.gz PKRCBNKNNAJFIZ-KRWDZBQOSA-N 1 3 356.474 1.770 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190988503 537193499 /nfs/dbraw/zinc/19/34/99/537193499.db2.gz ABOXIQFVGQKLHT-OAQYLSRUSA-N 1 3 369.509 1.739 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190988503 537193501 /nfs/dbraw/zinc/19/35/01/537193501.db2.gz ABOXIQFVGQKLHT-OAQYLSRUSA-N 1 3 369.509 1.739 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000422292640 538216720 /nfs/dbraw/zinc/21/67/20/538216720.db2.gz HMZTTWPRCJSZOD-KRWDZBQOSA-N 1 3 350.507 1.084 20 30 FDEDHO CN(CCCN(C)CC(=O)N(C)C1(C#N)CCCCC1)CC[NH+](C)C ZINC000566526055 547794097 /nfs/dbraw/zinc/79/40/97/547794097.db2.gz FDYNHGFIIBMMQS-UHFFFAOYSA-N 1 3 351.539 1.487 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000567378284 548098344 /nfs/dbraw/zinc/09/83/44/548098344.db2.gz WCELQJAKFFWHNS-OTYNDTSQSA-N 1 3 356.514 1.978 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000567378284 548098347 /nfs/dbraw/zinc/09/83/47/548098347.db2.gz WCELQJAKFFWHNS-OTYNDTSQSA-N 1 3 356.514 1.978 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000568055872 548381202 /nfs/dbraw/zinc/38/12/02/548381202.db2.gz NOQNSDYUZCWQGN-UHFFFAOYSA-N 1 3 359.478 1.048 20 30 FDEDHO N#CCCC[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570679380 549372144 /nfs/dbraw/zinc/37/21/44/549372144.db2.gz UGVYDBPGCCHALD-ZWKOTPCHSA-N 1 3 371.485 1.021 20 30 FDEDHO N#CCCC[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570679380 549372147 /nfs/dbraw/zinc/37/21/47/549372147.db2.gz UGVYDBPGCCHALD-ZWKOTPCHSA-N 1 3 371.485 1.021 20 30 FDEDHO N#Cc1ccc(N2CCC([NH2+]Cc3nnc(C4CC[NH2+]CC4)[n-]3)CC2)cc1 ZINC000571515053 549671808 /nfs/dbraw/zinc/67/18/08/549671808.db2.gz NPVDSAFENFAIMV-UHFFFAOYSA-N 1 3 365.485 1.902 20 30 FDEDHO N#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091102 552654200 /nfs/dbraw/zinc/65/42/00/552654200.db2.gz HVZQMYXOMJGMSW-JKSUJKDBSA-N 1 3 352.486 2.250 20 30 FDEDHO N#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091102 552654202 /nfs/dbraw/zinc/65/42/02/552654202.db2.gz HVZQMYXOMJGMSW-JKSUJKDBSA-N 1 3 352.486 2.250 20 30 FDEDHO C=C(C)CN(CC)C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000643255268 568404750 /nfs/dbraw/zinc/40/47/50/568404750.db2.gz ACGLITADNCZQDZ-UHFFFAOYSA-N 1 3 350.551 1.903 20 30 FDEDHO C=C(C)CN(CC)C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000643255268 568404751 /nfs/dbraw/zinc/40/47/51/568404751.db2.gz ACGLITADNCZQDZ-UHFFFAOYSA-N 1 3 350.551 1.903 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246932412 672520839 /nfs/dbraw/zinc/52/08/39/672520839.db2.gz HCWIFCSRMDIEES-LSDHHAIUSA-N 1 3 353.511 1.775 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)ccc1OC ZINC000264083945 672900836 /nfs/dbraw/zinc/90/08/36/672900836.db2.gz IHQKOPGYIGUTEH-CZUORRHYSA-N 1 3 350.463 1.126 20 30 FDEDHO C[NH2+]Cc1c(C)nn(-c2nc3ccccc3nc2C(C#N)C(=O)OC)c1C ZINC001167098939 771151571 /nfs/dbraw/zinc/15/15/71/771151571.db2.gz PLNQPLNOTLYCLE-ZDUSSCGKSA-N 1 3 364.409 1.932 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H]3CCCO3)[C@@H]2CC)CC1 ZINC001087840138 822559223 /nfs/dbraw/zinc/55/92/23/822559223.db2.gz JKBXPXMNXVSCPX-HSALFYBXSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCCO3)[C@@H]2CC)CC1 ZINC001087840138 822559225 /nfs/dbraw/zinc/55/92/25/822559225.db2.gz JKBXPXMNXVSCPX-HSALFYBXSA-N 1 3 361.530 1.870 20 30 FDEDHO C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105641871 842307096 /nfs/dbraw/zinc/30/70/96/842307096.db2.gz FJMOTEDJLSBQGO-WOCWXWTJSA-N 1 3 351.535 1.869 20 30 FDEDHO C#CCN1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000995267918 897652694 /nfs/dbraw/zinc/65/26/94/897652694.db2.gz QNEUIMJQDJZJNR-YZGWKJHDSA-N 1 3 354.498 1.706 20 30 FDEDHO C#CCN1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995267918 897652699 /nfs/dbraw/zinc/65/26/99/897652699.db2.gz QNEUIMJQDJZJNR-YZGWKJHDSA-N 1 3 354.498 1.706 20 30 FDEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034354 899838057 /nfs/dbraw/zinc/83/80/57/899838057.db2.gz WTHDCLFXFDYLHQ-IEBWSBKVSA-N 1 3 357.498 1.696 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112567873 931646403 /nfs/dbraw/zinc/64/64/03/931646403.db2.gz MCZPONDKSBKJCE-ZWOKBUDYSA-N 1 3 364.534 1.237 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586351 931773475 /nfs/dbraw/zinc/77/34/75/931773475.db2.gz VKYCLFJTUAUJAO-UWVAXJGDSA-N 1 3 364.534 1.236 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672566 939971966 /nfs/dbraw/zinc/97/19/66/939971966.db2.gz SZESRZJMHGVWBA-ZIFCJYIRSA-N 1 3 359.518 1.612 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cncn1C ZINC001131015203 940448711 /nfs/dbraw/zinc/44/87/11/940448711.db2.gz RMJNMYYJFUCTLU-QZTJIDSGSA-N 1 3 369.513 1.203 20 30 FDEDHO C=CCOC(=O)[C@@H](N)CCCCNc1c[nH+]c(N2CCOCC2)cc1C ZINC001171069447 946784050 /nfs/dbraw/zinc/78/40/50/946784050.db2.gz JXDQSUJPSGXHLL-INIZCTEOSA-N 1 3 362.474 1.865 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccc(OC)cc1 ZINC001090871375 947434530 /nfs/dbraw/zinc/43/45/30/947434530.db2.gz QUDLAOIFXKOLPP-PWRODBHTSA-N 1 3 367.493 1.554 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985936 953004560 /nfs/dbraw/zinc/00/45/60/953004560.db2.gz MBHFKDCEOBADSC-IPMKNSEASA-N 1 3 357.502 1.058 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985936 953004565 /nfs/dbraw/zinc/00/45/65/953004565.db2.gz MBHFKDCEOBADSC-IPMKNSEASA-N 1 3 357.502 1.058 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000913 953053112 /nfs/dbraw/zinc/05/31/12/953053112.db2.gz VCMRVKKKPDUJFO-IPMKNSEASA-N 1 3 357.502 1.200 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000913 953053117 /nfs/dbraw/zinc/05/31/17/953053117.db2.gz VCMRVKKKPDUJFO-IPMKNSEASA-N 1 3 357.502 1.200 20 30 FDEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804418 971922445 /nfs/dbraw/zinc/92/24/45/971922445.db2.gz XLBBLFIUCLBUOE-QZTJIDSGSA-N 1 3 365.522 1.190 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865194248 974174882 /nfs/dbraw/zinc/17/48/82/974174882.db2.gz SKYHFBSYGOTQNT-INIZCTEOSA-N 1 3 368.522 1.598 20 30 FDEDHO C#CCNC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454940 975055501 /nfs/dbraw/zinc/05/55/01/975055501.db2.gz VQIOANMNCGYSEG-ZCNNSNEGSA-N 1 3 355.482 1.172 20 30 FDEDHO C#CCNC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454940 975055506 /nfs/dbraw/zinc/05/55/06/975055506.db2.gz VQIOANMNCGYSEG-ZCNNSNEGSA-N 1 3 355.482 1.172 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000851662229 978988602 /nfs/dbraw/zinc/98/86/02/978988602.db2.gz TVZWGJPRMDHCKK-OALUTQOASA-N 1 3 358.486 1.395 20 30 FDEDHO COc1ccc(NC(=[NH2+])NCc2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000264086863 997399816 /nfs/dbraw/zinc/39/98/16/997399816.db2.gz JQAUJOFOJAYLTP-UHFFFAOYSA-N 1 3 369.469 1.913 20 30 FDEDHO COc1ccccc1CNC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000264329911 997463844 /nfs/dbraw/zinc/46/38/44/997463844.db2.gz ZSEBPYBPHHLLSL-MRXNPFEDSA-N 1 3 361.490 1.042 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCN1C(=O)c2ccccc2C1=O ZINC000267439775 999336028 /nfs/dbraw/zinc/33/60/28/999336028.db2.gz OWNQQDODSSJPBQ-HNNXBMFYSA-N 1 3 371.485 1.451 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(COC)OCCc2ccccc21 ZINC000290691931 1000153517 /nfs/dbraw/zinc/15/35/17/1000153517.db2.gz RETHJARLCRZXTB-PXNSSMCTSA-N 1 3 360.502 1.490 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000304771496 1010489287 /nfs/dbraw/zinc/48/92/87/1010489287.db2.gz AELRDUNWEHPDRX-SFHVURJKSA-N 1 3 358.465 1.943 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000553395542 543625819 /nfs/dbraw/zinc/62/58/19/543625819.db2.gz KWTINMJSALPUKM-KRWDZBQOSA-N 1 3 364.534 1.333 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000553395542 543625822 /nfs/dbraw/zinc/62/58/22/543625822.db2.gz KWTINMJSALPUKM-KRWDZBQOSA-N 1 3 364.534 1.333 20 30 FDEDHO C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000331379041 259190690 /nfs/dbraw/zinc/19/06/90/259190690.db2.gz FRDXQRRDIPJRNH-PXNSSMCTSA-N 1 3 369.513 1.845 20 30 FDEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378290701 262001974 /nfs/dbraw/zinc/00/19/74/262001974.db2.gz HEFZCTGPTBQKKK-HXUWFJFHSA-N 1 3 369.513 1.987 20 30 FDEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378290701 262001977 /nfs/dbraw/zinc/00/19/77/262001977.db2.gz HEFZCTGPTBQKKK-HXUWFJFHSA-N 1 3 369.513 1.987 20 30 FDEDHO C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158235368 524426563 /nfs/dbraw/zinc/42/65/63/524426563.db2.gz ILJSQYIYWVKDSK-YPMHNXCESA-N 1 3 360.428 1.833 20 30 FDEDHO COc1ccc(NC(=[NH2+])NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000104167703 525397069 /nfs/dbraw/zinc/39/70/69/525397069.db2.gz HTSDJQRVJYDDBO-SFHVURJKSA-N 1 3 354.454 1.841 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000171707951 526087620 /nfs/dbraw/zinc/08/76/20/526087620.db2.gz VHJJFWTXZMWHQO-SFHVURJKSA-N 1 3 351.539 1.208 20 30 FDEDHO COC[C@H](C)NC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267311138 536968384 /nfs/dbraw/zinc/96/83/84/536968384.db2.gz LXBSHXDDTZAOPT-KRWDZBQOSA-N 1 3 362.518 1.997 20 30 FDEDHO COCCN(C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000263801690 537104038 /nfs/dbraw/zinc/10/40/38/537104038.db2.gz VZSXCCXPRGCEHI-UHFFFAOYSA-N 1 3 361.490 1.210 20 30 FDEDHO C=CCNC(=O)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248941762 537221859 /nfs/dbraw/zinc/22/18/59/537221859.db2.gz CUSFYTJTQOHYQC-MNZLEMJZSA-N 1 3 358.486 1.744 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000281389990 537537104 /nfs/dbraw/zinc/53/71/04/537537104.db2.gz BLMQGOYIPYNULL-OALUTQOASA-N 1 3 354.454 1.594 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000281389990 537537111 /nfs/dbraw/zinc/53/71/11/537537111.db2.gz BLMQGOYIPYNULL-OALUTQOASA-N 1 3 354.454 1.594 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000422292642 538216034 /nfs/dbraw/zinc/21/60/34/538216034.db2.gz HMZTTWPRCJSZOD-QGZVFWFLSA-N 1 3 350.507 1.084 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000561441240 545852108 /nfs/dbraw/zinc/85/21/08/545852108.db2.gz QRHIOQKBUYPTCY-UHFFFAOYSA-N 1 3 350.507 1.086 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000580791160 551018943 /nfs/dbraw/zinc/01/89/43/551018943.db2.gz WDZHWISSMNEENI-QGZVFWFLSA-N 1 3 350.507 1.134 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000594450044 552312737 /nfs/dbraw/zinc/31/27/37/552312737.db2.gz RJHMSKOSHCYKIW-QGZVFWFLSA-N 1 3 372.517 1.994 20 30 FDEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(C#N)CCOCC1 ZINC000597053664 552740274 /nfs/dbraw/zinc/74/02/74/552740274.db2.gz RTSUWPBRGZAQII-QGZVFWFLSA-N 1 3 350.507 1.571 20 30 FDEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(C#N)CCOCC1 ZINC000597053664 552740275 /nfs/dbraw/zinc/74/02/75/552740275.db2.gz RTSUWPBRGZAQII-QGZVFWFLSA-N 1 3 350.507 1.571 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000600009017 553198936 /nfs/dbraw/zinc/19/89/36/553198936.db2.gz VDJZMYKRQQMKOZ-IBGZPJMESA-N 1 3 366.465 1.954 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000600009017 553198937 /nfs/dbraw/zinc/19/89/37/553198937.db2.gz VDJZMYKRQQMKOZ-IBGZPJMESA-N 1 3 366.465 1.954 20 30 FDEDHO CN1CCC(n2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cn2)CC1 ZINC000603083346 553706692 /nfs/dbraw/zinc/70/66/92/553706692.db2.gz LCJXDKFITHFIHN-UHFFFAOYSA-N 1 3 361.494 1.849 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000627371396 557375461 /nfs/dbraw/zinc/37/54/61/557375461.db2.gz DBAJPWFZERNYSE-IRXDYDNUSA-N 1 3 362.518 1.202 20 30 FDEDHO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000249493196 672565594 /nfs/dbraw/zinc/56/55/94/672565594.db2.gz VQSHXZNPQQMORQ-HRCADAONSA-N 1 3 354.495 1.113 20 30 FDEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262524222 672803137 /nfs/dbraw/zinc/80/31/37/672803137.db2.gz FYAGOUCDZHXHOM-HNNXBMFYSA-N 1 3 352.523 1.957 20 30 FDEDHO CN(CCCN(C)[C@@H]1CCN(c2sccc2C#N)C1=O)CC[NH+](C)C ZINC000298701059 676489279 /nfs/dbraw/zinc/48/92/79/676489279.db2.gz ZXUUTWLHOZUPSK-MRXNPFEDSA-N 1 3 363.531 1.540 20 30 FDEDHO COCCN(C)CCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303894483 676543762 /nfs/dbraw/zinc/54/37/62/676543762.db2.gz OWVAIMNAMNBCCE-UHFFFAOYSA-N 1 3 367.925 1.745 20 30 FDEDHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000329223902 676626543 /nfs/dbraw/zinc/62/65/43/676626543.db2.gz YTMHDQSKONNJEC-DQIHPLBOSA-N 1 3 350.507 1.899 20 30 FDEDHO C[NH2+]Cc1c(C)nn(-c2nc3ccccc3nc2C(C#N)C(=O)OC)c1C ZINC001167098937 771151514 /nfs/dbraw/zinc/15/15/14/771151514.db2.gz PLNQPLNOTLYCLE-CYBMUJFWSA-N 1 3 364.409 1.932 20 30 FDEDHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC000971561637 777631364 /nfs/dbraw/zinc/63/13/64/777631364.db2.gz YZLZCYDXGLBEBZ-IMFGXOCKSA-N 1 3 370.497 1.962 20 30 FDEDHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC000971561637 777631371 /nfs/dbraw/zinc/63/13/71/777631371.db2.gz YZLZCYDXGLBEBZ-IMFGXOCKSA-N 1 3 370.497 1.962 20 30 FDEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001105067084 795129272 /nfs/dbraw/zinc/12/92/72/795129272.db2.gz LXGMNHUEJXZPRG-KURKYZTESA-N 1 3 364.534 1.237 20 30 FDEDHO C=CCOCCN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112123607 810446712 /nfs/dbraw/zinc/44/67/12/810446712.db2.gz ROECNYCTUOUUSK-ZIAGYGMSSA-N 1 3 365.440 1.898 20 30 FDEDHO C=CCOCCN[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112123607 810446719 /nfs/dbraw/zinc/44/67/19/810446719.db2.gz ROECNYCTUOUUSK-ZIAGYGMSSA-N 1 3 365.440 1.898 20 30 FDEDHO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000329190493 824659147 /nfs/dbraw/zinc/65/91/47/824659147.db2.gz QBRGKCUKVBJTHJ-XYJFISCASA-N 1 3 363.506 1.728 20 30 FDEDHO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329190493 824659151 /nfs/dbraw/zinc/65/91/51/824659151.db2.gz QBRGKCUKVBJTHJ-XYJFISCASA-N 1 3 363.506 1.728 20 30 FDEDHO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000329190493 824659156 /nfs/dbraw/zinc/65/91/56/824659156.db2.gz QBRGKCUKVBJTHJ-XYJFISCASA-N 1 3 363.506 1.728 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(N(C)C)CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637222 842271150 /nfs/dbraw/zinc/27/11/50/842271150.db2.gz LTZRGOQLKJNJSF-FTEYMNFISA-N 1 3 361.530 1.460 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642333 842305722 /nfs/dbraw/zinc/30/57/22/842305722.db2.gz IVFUSFYFDMNFIN-IKVWTGGYSA-N 1 3 363.546 1.706 20 30 FDEDHO C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000911891443 859095939 /nfs/dbraw/zinc/09/59/39/859095939.db2.gz HAMHBGBASSGUOJ-WOJBJXKFSA-N 1 3 357.498 1.996 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC001089059766 866388063 /nfs/dbraw/zinc/38/80/63/866388063.db2.gz ZZROBOHEJHDDFC-GGPKGHCWSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC001089059766 866388070 /nfs/dbraw/zinc/38/80/70/866388070.db2.gz ZZROBOHEJHDDFC-GGPKGHCWSA-N 1 3 361.530 1.727 20 30 FDEDHO C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910512 889551371 /nfs/dbraw/zinc/55/13/71/889551371.db2.gz BHMKONVKBUFWGD-QZTJIDSGSA-N 1 3 366.550 1.437 20 30 FDEDHO C=CCNCc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1 ZINC001128107613 896968602 /nfs/dbraw/zinc/96/86/02/896968602.db2.gz WAAXVBLXHNJVMW-GBESFXJTSA-N 1 3 371.529 1.782 20 30 FDEDHO C=CCNCc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)n1 ZINC001128107613 896968615 /nfs/dbraw/zinc/96/86/15/896968615.db2.gz WAAXVBLXHNJVMW-GBESFXJTSA-N 1 3 371.529 1.782 20 30 FDEDHO CC#CC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259900 902295897 /nfs/dbraw/zinc/29/58/97/902295897.db2.gz UIKBJHXMQOBIKM-CEXWTWQISA-N 1 3 359.514 1.291 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080779340 906243997 /nfs/dbraw/zinc/24/39/97/906243997.db2.gz KMUQSZCSYRJIDQ-IMFGXOCKSA-N 1 3 370.497 1.867 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080779340 906244008 /nfs/dbraw/zinc/24/40/08/906244008.db2.gz KMUQSZCSYRJIDQ-IMFGXOCKSA-N 1 3 370.497 1.867 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001080998137 906975782 /nfs/dbraw/zinc/97/57/82/906975782.db2.gz UMQUVMLLXIIHOD-YZGWKJHDSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001080998137 906975785 /nfs/dbraw/zinc/97/57/85/906975785.db2.gz UMQUVMLLXIIHOD-YZGWKJHDSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCOCC2)CC1 ZINC001085432775 924679499 /nfs/dbraw/zinc/67/94/99/924679499.db2.gz PIUBRQRIAZOZSQ-WOJBJXKFSA-N 1 3 361.530 1.775 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCCO2)CC1 ZINC001085432793 924680398 /nfs/dbraw/zinc/68/03/98/924680398.db2.gz PRECOQKGURMLGW-VAMGGRTRSA-N 1 3 361.530 1.918 20 30 FDEDHO C=CCN1CCN(C(C)C)C(=O)[C@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169131227 928288994 /nfs/dbraw/zinc/28/89/94/928288994.db2.gz RYSWYYKRUJAKQX-RCLSDMTESA-N 1 3 360.546 1.795 20 30 FDEDHO C=CCN1CCN(C(C)C)C(=O)[C@]12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169131227 928289011 /nfs/dbraw/zinc/28/90/11/928289011.db2.gz RYSWYYKRUJAKQX-RCLSDMTESA-N 1 3 360.546 1.795 20 30 FDEDHO C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001130306901 938804669 /nfs/dbraw/zinc/80/46/69/938804669.db2.gz DAUZBRJQXIWOAL-XLIONFOSSA-N 1 3 364.534 1.378 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130608031 939919952 /nfs/dbraw/zinc/91/99/52/939919952.db2.gz XKPZSJQEQPVUQS-QXAKKESOSA-N 1 3 359.518 1.611 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672796 939971947 /nfs/dbraw/zinc/97/19/47/939971947.db2.gz ZLVBILNJVZXXAY-JENIJYKNSA-N 1 3 359.518 1.755 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1cn(C)cn1 ZINC001130734499 940034516 /nfs/dbraw/zinc/03/45/16/940034516.db2.gz UGXLNWCKMLCZKI-QXAKKESOSA-N 1 3 359.518 1.755 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1cncn1C ZINC001131132439 940512527 /nfs/dbraw/zinc/51/25/27/940512527.db2.gz KXUNOELPYJAOQY-KURKYZTESA-N 1 3 359.518 1.755 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090882639 947620403 /nfs/dbraw/zinc/62/04/03/947620403.db2.gz MIGRCWFTCKFUGU-LEWJYISDSA-N 1 3 369.509 1.944 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@H]3CCCO3)C2)CC1 ZINC001086882370 952913900 /nfs/dbraw/zinc/91/39/00/952913900.db2.gz NYRXGMQRTRVLNF-DFQSSKMNSA-N 1 3 361.530 1.775 20 30 FDEDHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189034841 966709920 /nfs/dbraw/zinc/70/99/20/966709920.db2.gz PAUDCTTUJBPJBX-PKOBYXMFSA-N 1 3 356.470 1.573 20 30 FDEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000363205121 988991675 /nfs/dbraw/zinc/99/16/75/988991675.db2.gz MZYUZGAGBSJUOV-UHFFFAOYSA-N 1 3 354.498 1.550 20 30 FDEDHO C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371301442 990348242 /nfs/dbraw/zinc/34/82/42/990348242.db2.gz FVFYAEVYCUQTMB-PXNSSMCTSA-N 1 3 369.513 1.845 20 30 FDEDHO C=CCN1CCC(NC(=O)N(CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000875249076 991191693 /nfs/dbraw/zinc/19/16/93/991191693.db2.gz VKIOSKIRNZVZCW-UHFFFAOYSA-N 1 3 352.523 1.637 20 30 FDEDHO C[C@H](O)[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393068 993938391 /nfs/dbraw/zinc/93/83/91/993938391.db2.gz ZVBGXCVTSKTWEA-LVNJIZSUSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@H](O)[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393068 993938395 /nfs/dbraw/zinc/93/83/95/993938395.db2.gz ZVBGXCVTSKTWEA-LVNJIZSUSA-N 1 3 357.498 1.964 20 30 FDEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000948381219 1002281194 /nfs/dbraw/zinc/28/11/94/1002281194.db2.gz IDSSHRYMCMDATN-AQNXPRMDSA-N 1 3 361.530 1.679 20 30 FDEDHO C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000930895302 1003641812 /nfs/dbraw/zinc/64/18/12/1003641812.db2.gz YJADCZCVDHLHQC-UHFFFAOYSA-N 1 3 357.502 1.905 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000930895302 1003641818 /nfs/dbraw/zinc/64/18/18/1003641818.db2.gz YJADCZCVDHLHQC-UHFFFAOYSA-N 1 3 357.502 1.905 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000642769876 1007891167 /nfs/dbraw/zinc/89/11/67/1007891167.db2.gz RGGJNRSBMWBWKV-RCCFBDPRSA-N 1 3 362.518 1.012 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C(C)C ZINC000419566609 1012573113 /nfs/dbraw/zinc/57/31/13/1012573113.db2.gz GURBWOMCPHSINF-FXAWDEMLSA-N 1 3 362.518 1.156 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000553669063 543678037 /nfs/dbraw/zinc/67/80/37/543678037.db2.gz HNDOYBCUIBUDAD-INIZCTEOSA-N 1 3 350.507 1.134 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000074129968 522687912 /nfs/dbraw/zinc/68/79/12/522687912.db2.gz NNZJIOXPOUWDDS-QGZVFWFLSA-N 1 3 351.539 1.210 20 30 FDEDHO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000116252096 525122548 /nfs/dbraw/zinc/12/25/48/525122548.db2.gz SYCFYAYXDQHRGG-XLIONFOSSA-N 1 3 354.498 1.753 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000180873097 525767253 /nfs/dbraw/zinc/76/72/53/525767253.db2.gz VYVITKKOPRVWIJ-NRFANRHFSA-N 1 3 369.509 1.605 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000180873097 525767261 /nfs/dbraw/zinc/76/72/61/525767261.db2.gz VYVITKKOPRVWIJ-NRFANRHFSA-N 1 3 369.509 1.605 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000171729049 526097979 /nfs/dbraw/zinc/09/79/79/526097979.db2.gz ZVGNRHDMWAHQMP-UHFFFAOYSA-N 1 3 363.550 1.495 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000183762576 536045750 /nfs/dbraw/zinc/04/57/50/536045750.db2.gz LEXKWRNGXIHZTL-HXUWFJFHSA-N 1 3 355.482 1.215 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000183762576 536045756 /nfs/dbraw/zinc/04/57/56/536045756.db2.gz LEXKWRNGXIHZTL-HXUWFJFHSA-N 1 3 355.482 1.215 20 30 FDEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000363823885 537330843 /nfs/dbraw/zinc/33/08/43/537330843.db2.gz OGOBXOHOJGXBSE-LJQANCHMSA-N 1 3 363.550 1.447 20 30 FDEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000363823885 537330848 /nfs/dbraw/zinc/33/08/48/537330848.db2.gz OGOBXOHOJGXBSE-LJQANCHMSA-N 1 3 363.550 1.447 20 30 FDEDHO CN(CCCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C ZINC000298529963 537723147 /nfs/dbraw/zinc/72/31/47/537723147.db2.gz MCUQHUNXTSXINQ-IBGZPJMESA-N 1 3 357.502 1.479 20 30 FDEDHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000600724672 553307728 /nfs/dbraw/zinc/30/77/28/553307728.db2.gz HDHAXOMILGNOFQ-HKUYNNGSSA-N 1 3 358.486 1.056 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000621844701 556169179 /nfs/dbraw/zinc/16/91/79/556169179.db2.gz VPXYSDBBSJVJBR-QKLQHJQFSA-N 1 3 362.518 1.141 20 30 FDEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288716859 676044591 /nfs/dbraw/zinc/04/45/91/676044591.db2.gz LNPIEWRTIUIPHL-OAHLLOKOSA-N 1 3 353.417 1.634 20 30 FDEDHO C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333892981 676771846 /nfs/dbraw/zinc/77/18/46/676771846.db2.gz ZFJYJHUMFLFJKZ-MSOLQXFVSA-N 1 3 350.507 1.578 20 30 FDEDHO C[NH2+]Cc1c(C)nn(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1C ZINC001167099172 771163816 /nfs/dbraw/zinc/16/38/16/771163816.db2.gz UYAQUCKPVNKXFP-CYBMUJFWSA-N 1 3 356.430 1.947 20 30 FDEDHO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420983632 813893883 /nfs/dbraw/zinc/89/38/83/813893883.db2.gz QXTYUZPATOCGCP-SFHVURJKSA-N 1 3 363.550 1.487 20 30 FDEDHO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420983632 813893892 /nfs/dbraw/zinc/89/38/92/813893892.db2.gz QXTYUZPATOCGCP-SFHVURJKSA-N 1 3 363.550 1.487 20 30 FDEDHO CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420983631 813894080 /nfs/dbraw/zinc/89/40/80/813894080.db2.gz QXTYUZPATOCGCP-GOSISDBHSA-N 1 3 363.550 1.487 20 30 FDEDHO CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420983631 813894091 /nfs/dbraw/zinc/89/40/91/813894091.db2.gz QXTYUZPATOCGCP-GOSISDBHSA-N 1 3 363.550 1.487 20 30 FDEDHO Cn1ccnc1[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000328871270 819573582 /nfs/dbraw/zinc/57/35/82/819573582.db2.gz PYKPQESKYBFZJX-INIZCTEOSA-N 1 3 374.533 1.682 20 30 FDEDHO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)nc2)C1 ZINC000328933814 819583249 /nfs/dbraw/zinc/58/32/49/819583249.db2.gz IRVMHKMDUJNCKK-IRXDYDNUSA-N 1 3 358.490 1.200 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329696485 825323296 /nfs/dbraw/zinc/32/32/96/825323296.db2.gz BVRDJHIFSIQVFP-IXDOHACOSA-N 1 3 374.533 1.671 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329696485 825323302 /nfs/dbraw/zinc/32/33/02/825323302.db2.gz BVRDJHIFSIQVFP-IXDOHACOSA-N 1 3 374.533 1.671 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329696485 825323309 /nfs/dbraw/zinc/32/33/09/825323309.db2.gz BVRDJHIFSIQVFP-IXDOHACOSA-N 1 3 374.533 1.671 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329696485 825323314 /nfs/dbraw/zinc/32/33/14/825323314.db2.gz BVRDJHIFSIQVFP-IXDOHACOSA-N 1 3 374.533 1.671 20 30 FDEDHO C#CCN1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115686 826463386 /nfs/dbraw/zinc/46/33/86/826463386.db2.gz IHCCCMHXDPTXOA-MHTWAQMVSA-N 1 3 351.494 1.745 20 30 FDEDHO C#CCN1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115686 826463390 /nfs/dbraw/zinc/46/33/90/826463390.db2.gz IHCCCMHXDPTXOA-MHTWAQMVSA-N 1 3 351.494 1.745 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])C(C)C ZINC000906645338 853094654 /nfs/dbraw/zinc/09/46/54/853094654.db2.gz KYNAUYALXPNTRN-GOSISDBHSA-N 1 3 358.486 1.899 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@@H]2C)CC1 ZINC001089059205 866380825 /nfs/dbraw/zinc/38/08/25/866380825.db2.gz DKOGNVQVMYJEBA-PBHICJAKSA-N 1 3 353.457 1.956 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@@H]2C)CC1 ZINC001089059205 866380834 /nfs/dbraw/zinc/38/08/34/866380834.db2.gz DKOGNVQVMYJEBA-PBHICJAKSA-N 1 3 353.457 1.956 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC[C@H]3CCOC3)[C@@H]2C)CC1 ZINC001089059767 866388875 /nfs/dbraw/zinc/38/88/75/866388875.db2.gz ZZROBOHEJHDDFC-HBFSDRIKSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC[C@H]3CCOC3)[C@@H]2C)CC1 ZINC001089059767 866388896 /nfs/dbraw/zinc/38/88/96/866388896.db2.gz ZZROBOHEJHDDFC-HBFSDRIKSA-N 1 3 361.530 1.727 20 30 FDEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H](OC)C1 ZINC001081796526 905016914 /nfs/dbraw/zinc/01/69/14/905016914.db2.gz ZKAQYCLYLQXFGT-GUDVDZBRSA-N 1 3 365.518 1.411 20 30 FDEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H](OC)C1 ZINC001081796526 905016935 /nfs/dbraw/zinc/01/69/35/905016935.db2.gz ZKAQYCLYLQXFGT-GUDVDZBRSA-N 1 3 365.518 1.411 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796526 905016955 /nfs/dbraw/zinc/01/69/55/905016955.db2.gz ZKAQYCLYLQXFGT-GUDVDZBRSA-N 1 3 365.518 1.411 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796526 905016973 /nfs/dbraw/zinc/01/69/73/905016973.db2.gz ZKAQYCLYLQXFGT-GUDVDZBRSA-N 1 3 365.518 1.411 20 30 FDEDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1C#N ZINC001082557689 908591931 /nfs/dbraw/zinc/59/19/31/908591931.db2.gz ZKKGDNBTEMOXPF-CRAIPNDOSA-N 1 3 370.497 1.988 20 30 FDEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433729 938423361 /nfs/dbraw/zinc/42/33/61/938423361.db2.gz OOYYAJYXIJWTRN-KURKYZTESA-N 1 3 360.506 1.318 20 30 FDEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433729 938423364 /nfs/dbraw/zinc/42/33/64/938423364.db2.gz OOYYAJYXIJWTRN-KURKYZTESA-N 1 3 360.506 1.318 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)C[C@@H]1n1ccnn1 ZINC001129883991 938538501 /nfs/dbraw/zinc/53/85/01/938538501.db2.gz DGSLTBWMCBOUJD-KURKYZTESA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130023897 938618638 /nfs/dbraw/zinc/61/86/38/938618638.db2.gz CXKWDHFGNMTFRP-SJORKVTESA-N 1 3 357.462 1.332 20 30 FDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736995 940038201 /nfs/dbraw/zinc/03/82/01/940038201.db2.gz SYRCHAQPXJXQJI-JENIJYKNSA-N 1 3 361.534 1.999 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131003328 940429650 /nfs/dbraw/zinc/42/96/50/940429650.db2.gz DCQFLRXMNPZANC-IXDOHACOSA-N 1 3 365.497 1.560 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010272 940441084 /nfs/dbraw/zinc/44/10/84/940441084.db2.gz GVNRFANEWDTDTN-IAGOWNOFSA-N 1 3 359.518 1.755 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)CC1 ZINC001086882180 952913861 /nfs/dbraw/zinc/91/38/61/952913861.db2.gz FBAHGUZAWDFRAF-CMKODMSKSA-N 1 3 361.530 1.633 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2C)CC1 ZINC001093223915 957854409 /nfs/dbraw/zinc/85/44/09/957854409.db2.gz JGXBZWZZJKYSEF-WSTZPKSXSA-N 1 3 361.530 1.442 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2C)CC1 ZINC001093223915 957854424 /nfs/dbraw/zinc/85/44/24/957854424.db2.gz JGXBZWZZJKYSEF-WSTZPKSXSA-N 1 3 361.530 1.442 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(CC)n3)[C@H](C)C2)CC1 ZINC001094239955 960158230 /nfs/dbraw/zinc/15/82/30/960158230.db2.gz KXKJKUTXWZPCLV-IEBWSBKVSA-N 1 3 371.529 1.432 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3cnccn3)[C@H](C)C2)CC1 ZINC001094240352 960159357 /nfs/dbraw/zinc/15/93/57/960159357.db2.gz UJQRQLPNPRCZRJ-ZHALLVOQSA-N 1 3 369.513 1.567 20 30 FDEDHO C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730792 964396967 /nfs/dbraw/zinc/39/69/67/964396967.db2.gz DEIYAQSENYIGQJ-XDNAFOTISA-N 1 3 364.534 1.330 20 30 FDEDHO C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730792 964396979 /nfs/dbraw/zinc/39/69/79/964396979.db2.gz DEIYAQSENYIGQJ-XDNAFOTISA-N 1 3 364.534 1.330 20 30 FDEDHO C=CCOCCN1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182178 966808671 /nfs/dbraw/zinc/80/86/71/966808671.db2.gz RBQDGVHTJRISHM-CEXWTWQISA-N 1 3 365.518 1.223 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000852358199 967249154 /nfs/dbraw/zinc/24/91/54/967249154.db2.gz OQWDFMQBHZOCHY-UHFFFAOYSA-N 1 3 357.502 1.548 20 30 FDEDHO C#CC[N@@H+](C)CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000852358199 967249162 /nfs/dbraw/zinc/24/91/62/967249162.db2.gz OQWDFMQBHZOCHY-UHFFFAOYSA-N 1 3 357.502 1.548 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000848394149 976715338 /nfs/dbraw/zinc/71/53/38/976715338.db2.gz GZILAEQHWYGHKB-SJORKVTESA-N 1 3 358.442 1.945 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000264068723 997395122 /nfs/dbraw/zinc/39/51/22/997395122.db2.gz CJZJUNLGJPNGPO-ZWKOTPCHSA-N 1 3 373.501 1.693 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000290378967 1000134746 /nfs/dbraw/zinc/13/47/46/1000134746.db2.gz BZZBMOKDXLNNFN-UHFFFAOYSA-N 1 3 358.486 1.374 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1)C(C)C ZINC000642769871 1007891241 /nfs/dbraw/zinc/89/12/41/1007891241.db2.gz OVNSVUNWYLRPTC-OKZBNKHCSA-N 1 3 364.534 1.387 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000557731212 544337598 /nfs/dbraw/zinc/33/75/98/544337598.db2.gz COMUJHKPOHUMEO-QGZVFWFLSA-N 1 3 364.534 1.237 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000557731212 544337600 /nfs/dbraw/zinc/33/76/00/544337600.db2.gz COMUJHKPOHUMEO-QGZVFWFLSA-N 1 3 364.534 1.237 20 30 FDEDHO C[NH+](C)CCCN(CCC#N)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000073078912 522463301 /nfs/dbraw/zinc/46/33/01/522463301.db2.gz BAORIUBIGKDUNT-UHFFFAOYSA-N 1 3 350.507 1.715 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1CN1CCCC1=O ZINC000264106111 537137941 /nfs/dbraw/zinc/13/79/41/537137941.db2.gz PLBPPWDPOKZHBC-SFHVURJKSA-N 1 3 357.502 1.698 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000283271180 537362997 /nfs/dbraw/zinc/36/29/97/537362997.db2.gz CHUUJLUQCADVPA-GOSISDBHSA-N 1 3 364.534 1.402 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000569584430 548971448 /nfs/dbraw/zinc/97/14/48/548971448.db2.gz KHOKZXIGEHZABQ-UHFFFAOYSA-N 1 3 362.518 1.087 20 30 FDEDHO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000579465465 550876152 /nfs/dbraw/zinc/87/61/52/550876152.db2.gz APNKEOGLSKIGCD-YJBOKZPZSA-N 1 3 350.507 1.435 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000594437894 552309863 /nfs/dbraw/zinc/30/98/63/552309863.db2.gz LJEDHOXWLZDNQB-FUHWJXTLSA-N 1 3 371.485 1.734 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000594437894 552309866 /nfs/dbraw/zinc/30/98/66/552309866.db2.gz LJEDHOXWLZDNQB-FUHWJXTLSA-N 1 3 371.485 1.734 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594525903 552327705 /nfs/dbraw/zinc/32/77/05/552327705.db2.gz XZDUCUFNEXMXAE-CQSZACIVSA-N 1 3 357.380 1.521 20 30 FDEDHO C[C@@H](NCCCC#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000273321999 674527956 /nfs/dbraw/zinc/52/79/56/674527956.db2.gz ZNUPGUIPVQIVIM-OAHLLOKOSA-N 1 3 352.504 1.871 20 30 FDEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000104167998 671594714 /nfs/dbraw/zinc/59/47/14/671594714.db2.gz YCQSBHCIXCFQRP-LSDHHAIUSA-N 1 3 353.511 1.632 20 30 FDEDHO CC[NH+]=C(NCCNC(C)(C)C)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262826402 672851762 /nfs/dbraw/zinc/85/17/62/672851762.db2.gz YFUIVDRCYVKEFQ-UHFFFAOYSA-N 1 3 372.579 1.773 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OCC(F)(F)F ZINC000280887616 675467176 /nfs/dbraw/zinc/46/71/76/675467176.db2.gz BNXSJCZVLZGRBJ-CYBMUJFWSA-N 1 3 359.396 1.911 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](O)C(C)(C)C3)CC2)CC1 ZINC000329414839 676637812 /nfs/dbraw/zinc/63/78/12/676637812.db2.gz FFDWRBIJCSHGRN-KRWDZBQOSA-N 1 3 352.523 1.552 20 30 FDEDHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000469793324 684986461 /nfs/dbraw/zinc/98/64/61/684986461.db2.gz CXOWDEPZVBZNLX-IKGGRYGDSA-N 1 3 350.507 1.664 20 30 FDEDHO C=CC[NH+]1CCC(NCc2ccc(OCC(=O)NCC)c(OC)c2)CC1 ZINC000236889442 806174616 /nfs/dbraw/zinc/17/46/16/806174616.db2.gz AFAXGNYMGVWSNK-UHFFFAOYSA-N 1 3 361.486 1.950 20 30 FDEDHO C=CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)COC ZINC000663876420 809973017 /nfs/dbraw/zinc/97/30/17/809973017.db2.gz GHTQGUYOBIIBDI-MRXNPFEDSA-N 1 3 352.523 1.778 20 30 FDEDHO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000261950655 811351885 /nfs/dbraw/zinc/35/18/85/811351885.db2.gz HFULITKRKZSQSN-LPHOPBHVSA-N 1 3 371.529 1.465 20 30 FDEDHO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000522305337 822379286 /nfs/dbraw/zinc/37/92/86/822379286.db2.gz GDEIYMBHIKKOJQ-SFHVURJKSA-N 1 3 355.486 1.868 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(-n4cncn4)nc3)CC2)CC1 ZINC000329277248 824708750 /nfs/dbraw/zinc/70/87/50/824708750.db2.gz KRCVLGPLGRPVNA-UHFFFAOYSA-N 1 3 369.473 1.526 20 30 FDEDHO C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673555 876505160 /nfs/dbraw/zinc/50/51/60/876505160.db2.gz HGSGQJBVXDLCCV-KURKYZTESA-N 1 3 366.550 1.435 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054711 885588366 /nfs/dbraw/zinc/58/83/66/885588366.db2.gz KRDSBSPZXOIKMZ-KSZLIROESA-N 1 3 360.506 1.460 20 30 FDEDHO C=C(C)CCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054711 885588378 /nfs/dbraw/zinc/58/83/78/885588378.db2.gz KRDSBSPZXOIKMZ-KSZLIROESA-N 1 3 360.506 1.460 20 30 FDEDHO C=CCCCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129300754 900978176 /nfs/dbraw/zinc/97/81/76/900978176.db2.gz GIAPSLBOQVQKLK-MSOLQXFVSA-N 1 3 360.506 1.318 20 30 FDEDHO COCC#CCN1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645439 906172893 /nfs/dbraw/zinc/17/28/93/906172893.db2.gz YRTYMWRTCSHANG-TZIWHRDSSA-N 1 3 361.530 1.873 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082559469 908611594 /nfs/dbraw/zinc/61/15/94/908611594.db2.gz GDNXZJPVKCDRKY-ZNOIYHFQSA-N 1 3 358.461 1.974 20 30 FDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894392 938555645 /nfs/dbraw/zinc/55/56/45/938555645.db2.gz FCQWHVBTELYQSA-BBWFWOEESA-N 1 3 360.506 1.459 20 30 FDEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137423 938710555 /nfs/dbraw/zinc/71/05/55/938710555.db2.gz YSNHWPWLTIWJEK-MSOLQXFVSA-N 1 3 362.522 1.706 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590184 939896295 /nfs/dbraw/zinc/89/62/95/939896295.db2.gz DBTKETGGWWOCTD-UHOSZYNNSA-N 1 3 357.502 1.200 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590184 939896298 /nfs/dbraw/zinc/89/62/98/939896298.db2.gz DBTKETGGWWOCTD-UHOSZYNNSA-N 1 3 357.502 1.200 20 30 FDEDHO C=CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130728563 940017127 /nfs/dbraw/zinc/01/71/27/940017127.db2.gz GSQDKMQNBNHLHW-PKOBYXMFSA-N 1 3 359.518 1.756 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131036064 940465584 /nfs/dbraw/zinc/46/55/84/940465584.db2.gz YOZLLDWBNBVPCM-QWFCFKBJSA-N 1 3 369.513 1.202 20 30 FDEDHO CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001131564506 940740505 /nfs/dbraw/zinc/74/05/05/940740505.db2.gz MLJSXHHLRFAENK-QUCCMNQESA-N 1 3 361.530 1.727 20 30 FDEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196251586 971569244 /nfs/dbraw/zinc/56/92/44/971569244.db2.gz LEJLBEJTGAGSIR-IPMKNSEASA-N 1 3 369.550 1.619 20 30 FDEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196300037 971614921 /nfs/dbraw/zinc/61/49/21/971614921.db2.gz QPNUJQFPRKWOHT-IYWMVGAKSA-N 1 3 357.498 1.459 20 30 FDEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196300037 971614926 /nfs/dbraw/zinc/61/49/26/971614926.db2.gz QPNUJQFPRKWOHT-IYWMVGAKSA-N 1 3 357.498 1.459 20 30 FDEDHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087088250 953250570 /nfs/dbraw/zinc/25/05/70/953250570.db2.gz PRWINXGFOIFINX-IEBWSBKVSA-N 1 3 367.453 1.477 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001093224484 957855780 /nfs/dbraw/zinc/85/57/80/957855780.db2.gz YQMRYUZCKYPSOU-RLLQIKCJSA-N 1 3 361.530 1.585 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001093224484 957855784 /nfs/dbraw/zinc/85/57/84/957855784.db2.gz YQMRYUZCKYPSOU-RLLQIKCJSA-N 1 3 361.530 1.585 20 30 FDEDHO O=C(C#CC1CC[NH2+]CC1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000852868119 967673492 /nfs/dbraw/zinc/67/34/92/967673492.db2.gz NVJSFELOEGONSE-UHFFFAOYSA-N 1 3 368.481 1.454 20 30 FDEDHO C#CC[C@H](CCOC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000858189884 981902881 /nfs/dbraw/zinc/90/28/81/981902881.db2.gz VCXZREONYSCZIF-MRXNPFEDSA-N 1 3 350.507 1.273 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC([NH3+])(CC)CC1)C(C)C ZINC000884614412 983277961 /nfs/dbraw/zinc/27/79/61/983277961.db2.gz MEIJAJFGARVUJX-QGZVFWFLSA-N 1 3 364.534 1.531 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)N(CC#N)CCC(=O)OC)CC2)CC1 ZINC000871343511 986912279 /nfs/dbraw/zinc/91/22/79/986912279.db2.gz CANJTDMZFWTJIZ-UHFFFAOYSA-N 1 3 364.490 1.098 20 30 FDEDHO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718765 988714689 /nfs/dbraw/zinc/71/46/89/988714689.db2.gz BAEAHLPPZXGKNF-UZLBHIALSA-N 1 3 369.513 1.986 20 30 FDEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000296653594 989348830 /nfs/dbraw/zinc/34/88/30/989348830.db2.gz TYBDHRIYNNNYOO-UHFFFAOYSA-N 1 3 356.514 1.948 20 30 FDEDHO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369294 991049743 /nfs/dbraw/zinc/04/97/43/991049743.db2.gz XZDLYDABSKDNED-QFBILLFUSA-N 1 3 369.513 1.986 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000876760816 992883520 /nfs/dbraw/zinc/88/35/20/992883520.db2.gz QXBMMACUTQZCPF-OAHLLOKOSA-N 1 3 352.866 1.064 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529304468 539817792 /nfs/dbraw/zinc/81/77/92/539817792.db2.gz FGSAWBMVFRSWIM-SFHVURJKSA-N 1 3 350.507 1.437 20 30 FDEDHO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000530233627 539916656 /nfs/dbraw/zinc/91/66/56/539916656.db2.gz ZDHLXDGKAGQHBB-HSALFYBXSA-N 1 3 373.497 1.655 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000553330496 543610579 /nfs/dbraw/zinc/61/05/79/543610579.db2.gz LEIHAKNVBUDTPF-UHFFFAOYSA-N 1 3 352.523 1.189 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000553735458 543688960 /nfs/dbraw/zinc/68/89/60/543688960.db2.gz UKBLZXYUDJRSOA-OAHLLOKOSA-N 1 3 352.523 1.236 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000557731984 544338119 /nfs/dbraw/zinc/33/81/19/544338119.db2.gz JJFPILQNLOKRGP-KRWDZBQOSA-N 1 3 350.507 1.086 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000557731984 544338122 /nfs/dbraw/zinc/33/81/22/544338122.db2.gz JJFPILQNLOKRGP-KRWDZBQOSA-N 1 3 350.507 1.086 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000559793578 544801039 /nfs/dbraw/zinc/80/10/39/544801039.db2.gz GBZGCZTUEGXCJR-IAGOWNOFSA-N 1 3 364.534 1.237 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000559833027 544813537 /nfs/dbraw/zinc/81/35/37/544813537.db2.gz ICQRESSMSOWGSY-QGZVFWFLSA-N 1 3 364.534 1.524 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000559833027 544813542 /nfs/dbraw/zinc/81/35/42/544813542.db2.gz ICQRESSMSOWGSY-QGZVFWFLSA-N 1 3 364.534 1.524 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1CN1CCOCC1 ZINC000104156843 525398425 /nfs/dbraw/zinc/39/84/25/525398425.db2.gz OGOFDFQYMYSJBW-LJQANCHMSA-N 1 3 359.518 1.407 20 30 FDEDHO CN(CCC(=O)Nc1cccc(C#N)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000180959430 525782218 /nfs/dbraw/zinc/78/22/18/525782218.db2.gz MUOPVYAPEKOUFF-UHFFFAOYSA-N 1 3 357.502 1.845 20 30 FDEDHO CN(CCC(=O)Nc1cccc(C#N)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180959430 525782226 /nfs/dbraw/zinc/78/22/26/525782226.db2.gz MUOPVYAPEKOUFF-UHFFFAOYSA-N 1 3 357.502 1.845 20 30 FDEDHO CN(CCCN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C ZINC000298529966 537723381 /nfs/dbraw/zinc/72/33/81/537723381.db2.gz MCUQHUNXTSXINQ-LJQANCHMSA-N 1 3 357.502 1.479 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417073528 537998015 /nfs/dbraw/zinc/99/80/15/537998015.db2.gz YAQUHXLBRBXWEG-OALUTQOASA-N 1 3 363.550 1.374 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000561451044 545856848 /nfs/dbraw/zinc/85/68/48/545856848.db2.gz ZYZZKWVROKOQSJ-RDJZCZTQSA-N 1 3 350.507 1.084 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000561451044 545856851 /nfs/dbraw/zinc/85/68/51/545856851.db2.gz ZYZZKWVROKOQSJ-RDJZCZTQSA-N 1 3 350.507 1.084 20 30 FDEDHO CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000563140043 546422051 /nfs/dbraw/zinc/42/20/51/546422051.db2.gz AZRQFNHUDKWOHH-OALUTQOASA-N 1 3 361.486 1.175 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000566117041 547612185 /nfs/dbraw/zinc/61/21/85/547612185.db2.gz RUUCQFHKKLSWOK-JFIYKMOQSA-N 1 3 350.532 1.927 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000566117041 547612187 /nfs/dbraw/zinc/61/21/87/547612187.db2.gz RUUCQFHKKLSWOK-JFIYKMOQSA-N 1 3 350.532 1.927 20 30 FDEDHO CN1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)(N2CCOCC2)CC1 ZINC000573457956 550142576 /nfs/dbraw/zinc/14/25/76/550142576.db2.gz IRYGKYIHOMEBIK-UHFFFAOYSA-N 1 3 368.485 1.092 20 30 FDEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)CN(C)CCC#N ZINC000577602693 550673854 /nfs/dbraw/zinc/67/38/54/550673854.db2.gz JZYYXBBOJFJLAA-JYRKZWEQSA-N 1 3 358.530 1.939 20 30 FDEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)CN(C)CCC#N ZINC000577602693 550673855 /nfs/dbraw/zinc/67/38/55/550673855.db2.gz JZYYXBBOJFJLAA-JYRKZWEQSA-N 1 3 358.530 1.939 20 30 FDEDHO N#Cc1ccccc1OC[C@H](O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848871 553650727 /nfs/dbraw/zinc/65/07/27/553650727.db2.gz OUVPNIAFAWHPRO-LJQANCHMSA-N 1 3 352.438 1.905 20 30 FDEDHO CCCN1CC[C@H](CNC(=[NH+]CC)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261656878 672644258 /nfs/dbraw/zinc/64/42/58/672644258.db2.gz AFYZOVXSXXUEGU-OAHLLOKOSA-N 1 3 358.552 1.193 20 30 FDEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000329215115 676625827 /nfs/dbraw/zinc/62/58/27/676625827.db2.gz MEHQTTKKSNOILP-HMQMGEFJSA-N 1 3 350.507 1.901 20 30 FDEDHO CCC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000329215115 676625829 /nfs/dbraw/zinc/62/58/29/676625829.db2.gz MEHQTTKKSNOILP-HMQMGEFJSA-N 1 3 350.507 1.901 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000378424622 678746888 /nfs/dbraw/zinc/74/68/88/678746888.db2.gz FGAVGXCBRLYRJL-OALUTQOASA-N 1 3 350.551 1.759 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000378424622 678746890 /nfs/dbraw/zinc/74/68/90/678746890.db2.gz FGAVGXCBRLYRJL-OALUTQOASA-N 1 3 350.551 1.759 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC([NH2+]C)CC1)C(C)C ZINC000419566296 680278674 /nfs/dbraw/zinc/27/86/74/680278674.db2.gz GDEIYGJGRSVNOD-KRWDZBQOSA-N 1 3 350.507 1.012 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC(CC)CC)C[C@@H]32)CC1 ZINC001083283598 791183744 /nfs/dbraw/zinc/18/37/44/791183744.db2.gz KHWLTIBMNYAJRN-VQTJNVASSA-N 1 3 361.530 1.679 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC(CC)CC)C[C@@H]32)CC1 ZINC001083283598 791183752 /nfs/dbraw/zinc/18/37/52/791183752.db2.gz KHWLTIBMNYAJRN-VQTJNVASSA-N 1 3 361.530 1.679 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000284210919 820142486 /nfs/dbraw/zinc/14/24/86/820142486.db2.gz WSHRFVPNVVVTCU-QZTJIDSGSA-N 1 3 364.534 1.211 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000284210919 820142498 /nfs/dbraw/zinc/14/24/98/820142498.db2.gz WSHRFVPNVVVTCU-QZTJIDSGSA-N 1 3 364.534 1.211 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]3C2)CC1 ZINC001088212206 827493868 /nfs/dbraw/zinc/49/38/68/827493868.db2.gz VHFJUEKTLNVHAM-UXHICEINSA-N 1 3 366.509 1.707 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccn4)CC[C@@H]3C2)CC1 ZINC001088212206 827493872 /nfs/dbraw/zinc/49/38/72/827493872.db2.gz VHFJUEKTLNVHAM-UXHICEINSA-N 1 3 366.509 1.707 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000264089891 838510265 /nfs/dbraw/zinc/51/02/65/838510265.db2.gz KPTOUOJGRWOTMJ-FXAWDEMLSA-N 1 3 373.545 1.796 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(N(C)C)CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637065 842270264 /nfs/dbraw/zinc/27/02/64/842270264.db2.gz IXXKPGUDPUMATN-XSYGEPLQSA-N 1 3 361.530 1.460 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)N(C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642102 842303203 /nfs/dbraw/zinc/30/32/03/842303203.db2.gz HQNHDZKINYJOFP-WIRSXHRWSA-N 1 3 363.546 1.706 20 30 FDEDHO C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105654994 842481065 /nfs/dbraw/zinc/48/10/65/842481065.db2.gz COARBBRUWZZIEW-JYBIWHBTSA-N 1 3 360.502 1.885 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCCCO3)[C@@H]2C)CC1 ZINC001089059224 866384077 /nfs/dbraw/zinc/38/40/77/866384077.db2.gz FDBCMCZYMGABSH-HOJAQTOUSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCCCO3)[C@@H]2C)CC1 ZINC001089059224 866384089 /nfs/dbraw/zinc/38/40/89/866384089.db2.gz FDBCMCZYMGABSH-HOJAQTOUSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626535 878844130 /nfs/dbraw/zinc/84/41/30/878844130.db2.gz BWCXIIUKGIBIMS-MLYOOKFZSA-N 1 3 364.534 1.111 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626535 878844138 /nfs/dbraw/zinc/84/41/38/878844138.db2.gz BWCXIIUKGIBIMS-MLYOOKFZSA-N 1 3 364.534 1.111 20 30 FDEDHO C=CCCCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204506 886371804 /nfs/dbraw/zinc/37/18/04/886371804.db2.gz GUPCHDXJIYLRLO-MSOLQXFVSA-N 1 3 362.522 1.708 20 30 FDEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107029238 899641777 /nfs/dbraw/zinc/64/17/77/899641777.db2.gz PLJTXQZFTARVJH-YLJYHZDGSA-N 1 3 357.498 1.696 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079245575 902254252 /nfs/dbraw/zinc/25/42/52/902254252.db2.gz AJYJAUZGIHELFE-GBESFXJTSA-N 1 3 359.514 1.433 20 30 FDEDHO C#CCN1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079245575 902254264 /nfs/dbraw/zinc/25/42/64/902254264.db2.gz AJYJAUZGIHELFE-GBESFXJTSA-N 1 3 359.514 1.433 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258132 902291134 /nfs/dbraw/zinc/29/11/34/902291134.db2.gz OSGHBUNISSBFHD-RBUKOAKNSA-N 1 3 359.514 1.291 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2C)CC1 ZINC001080997891 906974120 /nfs/dbraw/zinc/97/41/20/906974120.db2.gz OAVNULCQVABOQN-DYESRHJHSA-N 1 3 369.509 1.461 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2C)CC1 ZINC001080997891 906974128 /nfs/dbraw/zinc/97/41/28/906974128.db2.gz OAVNULCQVABOQN-DYESRHJHSA-N 1 3 369.509 1.461 20 30 FDEDHO C=CCN1CCN(C(C)C)C(=O)[C@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169131228 928290469 /nfs/dbraw/zinc/29/04/69/928290469.db2.gz RYSWYYKRUJAKQX-XODKDNOYSA-N 1 3 360.546 1.795 20 30 FDEDHO C=CCN1CCN(C(C)C)C(=O)[C@]12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169131228 928290483 /nfs/dbraw/zinc/29/04/83/928290483.db2.gz RYSWYYKRUJAKQX-XODKDNOYSA-N 1 3 360.546 1.795 20 30 FDEDHO C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001130293338 938796897 /nfs/dbraw/zinc/79/68/97/938796897.db2.gz VAGFMNFPCJSHOD-LMMKCTJWSA-N 1 3 364.534 1.378 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602593 939914185 /nfs/dbraw/zinc/91/41/85/939914185.db2.gz JSSDAQXRZDVMBJ-LZLYRXPVSA-N 1 3 365.497 1.560 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070111 940484335 /nfs/dbraw/zinc/48/43/35/940484335.db2.gz GCOGBIWMOUTHFI-RCCFBDPRSA-N 1 3 359.518 1.612 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1c1cncn1C ZINC001131081974 940487853 /nfs/dbraw/zinc/48/78/53/940487853.db2.gz GSYQJXKHIMGJQS-QRVBRYPASA-N 1 3 371.529 1.590 20 30 FDEDHO C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001131564939 940740881 /nfs/dbraw/zinc/74/08/81/940740881.db2.gz YLKKDDKXNWFZPY-QUCCMNQESA-N 1 3 361.530 1.727 20 30 FDEDHO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001131583179 940769307 /nfs/dbraw/zinc/76/93/07/940769307.db2.gz UIVOQTROPGDJAN-QUCCMNQESA-N 1 3 367.534 1.517 20 30 FDEDHO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131608614 940788564 /nfs/dbraw/zinc/78/85/64/940788564.db2.gz HYEJZWFVVDPPSE-QUCCMNQESA-N 1 3 367.534 1.515 20 30 FDEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086762844 942407214 /nfs/dbraw/zinc/40/72/14/942407214.db2.gz CVMBALBMHNNEDP-CFFMVQJASA-N 1 3 353.894 1.477 20 30 FDEDHO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090880837 947596486 /nfs/dbraw/zinc/59/64/86/947596486.db2.gz MLSVTYSEJOUFFM-VQTJNVASSA-N 1 3 369.509 1.944 20 30 FDEDHO C#Cc1ccc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cc1 ZINC001144571856 949952948 /nfs/dbraw/zinc/95/29/48/949952948.db2.gz KVYHFCJVJMYQEK-UHFFFAOYSA-N 1 3 368.525 1.338 20 30 FDEDHO N=C(Nc1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc(C(N)=O)cc1 ZINC001171255520 951647975 /nfs/dbraw/zinc/64/79/75/951647975.db2.gz AYHROIQVWVVDNB-NQIIRXRSSA-N 1 3 364.449 1.843 20 30 FDEDHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772981438 952410071 /nfs/dbraw/zinc/41/00/71/952410071.db2.gz DFORHVLKEBSVAV-MKRGEVTBSA-N 1 3 364.490 1.239 20 30 FDEDHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772981438 952410073 /nfs/dbraw/zinc/41/00/73/952410073.db2.gz DFORHVLKEBSVAV-MKRGEVTBSA-N 1 3 364.490 1.239 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@H]3CCOC3)C2)CC1 ZINC001086882303 952913821 /nfs/dbraw/zinc/91/38/21/952913821.db2.gz KXNZDQXXEXYNSJ-CMKODMSKSA-N 1 3 361.530 1.633 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC001086882404 952914501 /nfs/dbraw/zinc/91/45/01/952914501.db2.gz PPFVYPPRFAWDIJ-FUHWJXTLSA-N 1 3 357.502 1.140 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001093672724 958514280 /nfs/dbraw/zinc/51/42/80/958514280.db2.gz BKVINIJPHVRFHS-LSBZLQRGSA-N 1 3 358.461 1.976 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCOC(C)C)CC1 ZINC001110152255 959532475 /nfs/dbraw/zinc/53/24/75/959532475.db2.gz LNBQXGAHVTUBJG-AABGKKOBSA-N 1 3 361.530 1.868 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCOC(C)C)CC1 ZINC001110152255 959532485 /nfs/dbraw/zinc/53/24/85/959532485.db2.gz LNBQXGAHVTUBJG-AABGKKOBSA-N 1 3 361.530 1.868 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(F)ccc1C#N ZINC001094221166 960046754 /nfs/dbraw/zinc/04/67/54/960046754.db2.gz VACYPTLLAAZZTH-UWWQBHOKSA-N 1 3 358.461 1.833 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(F)ccc1C#N ZINC001094221166 960046762 /nfs/dbraw/zinc/04/67/62/960046762.db2.gz VACYPTLLAAZZTH-UWWQBHOKSA-N 1 3 358.461 1.833 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](C)C2)CC1 ZINC001094239989 960158282 /nfs/dbraw/zinc/15/82/82/960158282.db2.gz LVJFUNVJLQGFJT-CRAIPNDOSA-N 1 3 358.486 1.512 20 30 FDEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474437 960641769 /nfs/dbraw/zinc/64/17/69/960641769.db2.gz ZORMONMCFTUZIA-LONDADKYSA-N 1 3 359.514 1.787 20 30 FDEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474437 960641781 /nfs/dbraw/zinc/64/17/81/960641781.db2.gz ZORMONMCFTUZIA-LONDADKYSA-N 1 3 359.514 1.787 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000849081901 977306994 /nfs/dbraw/zinc/30/69/94/977306994.db2.gz PQNYPYYEWFGVPR-RBSFLKMASA-N 1 3 364.494 1.344 20 30 FDEDHO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362718762 988714893 /nfs/dbraw/zinc/71/48/93/988714893.db2.gz BAEAHLPPZXGKNF-JXFKEZNVSA-N 1 3 369.513 1.986 20 30 FDEDHO CN(C)CCNC(=O)c1cccc(CNC(=[NH2+])NCCc2ccccc2)c1 ZINC000104181847 998315637 /nfs/dbraw/zinc/31/56/37/998315637.db2.gz SAJORAYBOAMILV-UHFFFAOYSA-N 1 3 367.497 1.625 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000285348691 999910615 /nfs/dbraw/zinc/91/06/15/999910615.db2.gz YJZOSHAMUGRIRJ-LJQANCHMSA-N 1 3 372.513 1.042 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000285348691 999910616 /nfs/dbraw/zinc/91/06/16/999910616.db2.gz YJZOSHAMUGRIRJ-LJQANCHMSA-N 1 3 372.513 1.042 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C(C)C ZINC000642769875 1007890924 /nfs/dbraw/zinc/89/09/24/1007890924.db2.gz RGGJNRSBMWBWKV-OKZBNKHCSA-N 1 3 362.518 1.012 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000557767448 544343889 /nfs/dbraw/zinc/34/38/89/544343889.db2.gz NSHQYXNQLMJASC-DLBZAZTESA-N 1 3 350.507 1.132 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000176337880 525085400 /nfs/dbraw/zinc/08/54/00/525085400.db2.gz WIIGZZQFRBDULA-UHFFFAOYSA-N 1 3 352.523 1.825 20 30 FDEDHO C[C@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564843649 547063673 /nfs/dbraw/zinc/06/36/73/547063673.db2.gz DVWWMMQIHMYQNZ-INIZCTEOSA-N 1 3 364.515 1.829 20 30 FDEDHO C[C@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564843649 547063676 /nfs/dbraw/zinc/06/36/76/547063676.db2.gz DVWWMMQIHMYQNZ-INIZCTEOSA-N 1 3 364.515 1.829 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000566117052 547612981 /nfs/dbraw/zinc/61/29/81/547612981.db2.gz RUUCQFHKKLSWOK-JZXOWHBKSA-N 1 3 350.532 1.927 20 30 FDEDHO CN(CCC#N)C[C@H](O)CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000566117052 547612987 /nfs/dbraw/zinc/61/29/87/547612987.db2.gz RUUCQFHKKLSWOK-JZXOWHBKSA-N 1 3 350.532 1.927 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC[C@H]3C#N)CC2)CC1 ZINC000582914080 551280826 /nfs/dbraw/zinc/28/08/26/551280826.db2.gz AKXXBMQIDAMQOR-QGZVFWFLSA-N 1 3 350.532 1.650 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000594437898 552309584 /nfs/dbraw/zinc/30/95/84/552309584.db2.gz LJEDHOXWLZDNQB-WMZOPIPTSA-N 1 3 371.485 1.734 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000594437898 552309586 /nfs/dbraw/zinc/30/95/86/552309586.db2.gz LJEDHOXWLZDNQB-WMZOPIPTSA-N 1 3 371.485 1.734 20 30 FDEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000597943059 552848693 /nfs/dbraw/zinc/84/86/93/552848693.db2.gz TUUWMUKMSYHVOX-INIZCTEOSA-N 1 3 368.485 1.746 20 30 FDEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000597943059 552848694 /nfs/dbraw/zinc/84/86/94/552848694.db2.gz TUUWMUKMSYHVOX-INIZCTEOSA-N 1 3 368.485 1.746 20 30 FDEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000602696754 553624200 /nfs/dbraw/zinc/62/42/00/553624200.db2.gz RVXDGNVWUPWCLI-SFHVURJKSA-N 1 3 364.534 1.472 20 30 FDEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000602696727 553624220 /nfs/dbraw/zinc/62/42/20/553624220.db2.gz RVXDGNVWUPWCLI-GOSISDBHSA-N 1 3 364.534 1.472 20 30 FDEDHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329978941 676666858 /nfs/dbraw/zinc/66/68/58/676666858.db2.gz INZNSYKXKJHHTQ-SJORKVTESA-N 1 3 351.539 1.533 20 30 FDEDHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329978941 676666859 /nfs/dbraw/zinc/66/68/59/676666859.db2.gz INZNSYKXKJHHTQ-SJORKVTESA-N 1 3 351.539 1.533 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C(C)C ZINC000419574912 680281351 /nfs/dbraw/zinc/28/13/51/680281351.db2.gz VCLLXAMGNGOIOF-SJORKVTESA-N 1 3 350.507 1.060 20 30 FDEDHO CNC(=O)CC1CCN(C(NC[C@]2(N(C)C)CCC[C@H](C)C2)=[NH+]C)CC1 ZINC000261706739 774867524 /nfs/dbraw/zinc/86/75/24/774867524.db2.gz GSVGESPGXGUHIX-JXFKEZNVSA-N 1 3 365.566 1.920 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C(C)C ZINC000659702642 789535561 /nfs/dbraw/zinc/53/55/61/789535561.db2.gz UNUNWWLHKRLUCS-SQNIBIBYSA-N 1 3 364.534 1.387 20 30 FDEDHO C#CCCN1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974602690 799882342 /nfs/dbraw/zinc/88/23/42/799882342.db2.gz MSKWCSVYARJLCM-QYZOEREBSA-N 1 3 361.530 1.583 20 30 FDEDHO COc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001028550377 810621480 /nfs/dbraw/zinc/62/14/80/810621480.db2.gz OPOGRTQMLXQGIF-SZVBFZGTSA-N 1 3 370.497 1.845 20 30 FDEDHO COc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001028550377 810621482 /nfs/dbraw/zinc/62/14/82/810621482.db2.gz OPOGRTQMLXQGIF-SZVBFZGTSA-N 1 3 370.497 1.845 20 30 FDEDHO C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030670 814258298 /nfs/dbraw/zinc/25/82/98/814258298.db2.gz ROSTWVFPHCZCOI-FXAWDEMLSA-N 1 3 369.513 1.845 20 30 FDEDHO C=CCOCCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154410 819725894 /nfs/dbraw/zinc/72/58/94/819725894.db2.gz KDXLDANSTOIMPF-ZIAGYGMSSA-N 1 3 363.424 1.510 20 30 FDEDHO N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000521611618 821313610 /nfs/dbraw/zinc/31/36/10/821313610.db2.gz FYZPHONWJLUFKH-HMXCVIKNSA-N 1 3 373.497 1.655 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637329 842270843 /nfs/dbraw/zinc/27/08/43/842270843.db2.gz NFCXOZYDIDFKNA-VURPSTOHSA-N 1 3 361.530 1.460 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccn2)CC1 ZINC001085432727 924679977 /nfs/dbraw/zinc/67/99/77/924679977.db2.gz NGXFOCQXKSGSMD-WOJBJXKFSA-N 1 3 354.498 1.944 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)CC1 ZINC001085432930 924681295 /nfs/dbraw/zinc/68/12/95/924681295.db2.gz XKASGZLGXLNVFG-WOJBJXKFSA-N 1 3 371.529 1.325 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086371031 926882170 /nfs/dbraw/zinc/88/21/70/926882170.db2.gz MNZYCZXKGMQXKO-YCEFEEMOSA-N 1 3 370.497 1.891 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086371031 926882173 /nfs/dbraw/zinc/88/21/73/926882173.db2.gz MNZYCZXKGMQXKO-YCEFEEMOSA-N 1 3 370.497 1.891 20 30 FDEDHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1 ZINC001112586170 931772351 /nfs/dbraw/zinc/77/23/51/931772351.db2.gz KUONVLDMAKDWOS-ZJOUEHCJSA-N 1 3 361.530 1.729 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001130137196 938710000 /nfs/dbraw/zinc/71/00/00/938710000.db2.gz NGJLJMXRKYKVPA-SQNIBIBYSA-N 1 3 360.506 1.460 20 30 FDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602713 939914477 /nfs/dbraw/zinc/91/44/77/939914477.db2.gz OVTGEFRSLKNHAA-YQQAZPJKSA-N 1 3 351.470 1.170 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012431 940444215 /nfs/dbraw/zinc/44/42/15/940444215.db2.gz ISYHGCSDJKYIID-KZNAEPCWSA-N 1 3 357.502 1.202 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131012431 940444216 /nfs/dbraw/zinc/44/42/16/940444216.db2.gz ISYHGCSDJKYIID-KZNAEPCWSA-N 1 3 357.502 1.202 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131064160 940486495 /nfs/dbraw/zinc/48/64/95/940486495.db2.gz ADRLSWXTPQAIEN-ZHALLVOQSA-N 1 3 361.534 1.857 20 30 FDEDHO CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001131608596 940788687 /nfs/dbraw/zinc/78/86/87/940788687.db2.gz HNMBDFDMSZBWGW-AQNXPRMDSA-N 1 3 361.530 1.870 20 30 FDEDHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001094074511 959700511 /nfs/dbraw/zinc/70/05/11/959700511.db2.gz FBLIZKFJXONZLP-NVXWUHKLSA-N 1 3 367.453 1.739 20 30 FDEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474436 960643287 /nfs/dbraw/zinc/64/32/87/960643287.db2.gz ZORMONMCFTUZIA-HSGZRYJKSA-N 1 3 359.514 1.787 20 30 FDEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474436 960643298 /nfs/dbraw/zinc/64/32/98/960643298.db2.gz ZORMONMCFTUZIA-HSGZRYJKSA-N 1 3 359.514 1.787 20 30 FDEDHO C=C(CN1CCCC1)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001183043001 962754659 /nfs/dbraw/zinc/75/46/59/962754659.db2.gz JGJBEODZAIVATC-UZLBHIALSA-N 1 3 374.460 1.727 20 30 FDEDHO CN(C(=O)C#CC1CC[NH2+]CC1)C1CCN(CCc2ccccn2)CC1 ZINC000852863897 967669557 /nfs/dbraw/zinc/66/95/57/967669557.db2.gz TVDCHVIMKUGVOA-UHFFFAOYSA-N 1 3 354.498 1.550 20 30 FDEDHO C#CCN(C)CCCNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000854094061 968587702 /nfs/dbraw/zinc/58/77/02/968587702.db2.gz CFOAMHNPZRDQLH-FQEVSTJZSA-N 1 3 356.514 1.900 20 30 FDEDHO C#CCN(C)CCCNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000854094061 968587707 /nfs/dbraw/zinc/58/77/07/968587707.db2.gz CFOAMHNPZRDQLH-FQEVSTJZSA-N 1 3 356.514 1.900 20 30 FDEDHO CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426919 990423830 /nfs/dbraw/zinc/42/38/30/990423830.db2.gz ZMMQDLJLBWKATD-FQEVSTJZSA-N 1 3 369.513 1.275 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000876730931 992845161 /nfs/dbraw/zinc/84/51/61/992845161.db2.gz MHHPLLYOUNNQDF-AWEZNQCLSA-N 1 3 355.866 1.722 20 30 FDEDHO CN(CC(=O)N(CCC#N)CCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374773894 992937797 /nfs/dbraw/zinc/93/77/97/992937797.db2.gz BHNDRMBTNAATBQ-UHFFFAOYSA-N 1 3 368.485 1.886 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOc1cc(OC)cc(OC)c1 ZINC000304832496 1010498415 /nfs/dbraw/zinc/49/84/15/1010498415.db2.gz LFHQXKADVAZBKV-HNNXBMFYSA-N 1 3 364.490 1.861 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000553326845 543609773 /nfs/dbraw/zinc/60/97/73/543609773.db2.gz GLFWVYBGUYKFLD-RDJZCZTQSA-N 1 3 350.507 1.084 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000553326845 543609774 /nfs/dbraw/zinc/60/97/74/543609774.db2.gz GLFWVYBGUYKFLD-RDJZCZTQSA-N 1 3 350.507 1.084 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000553328254 543609812 /nfs/dbraw/zinc/60/98/12/543609812.db2.gz KBVBCVISWQTUST-UHFFFAOYSA-N 1 3 364.534 1.333 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000074129967 522689179 /nfs/dbraw/zinc/68/91/79/522689179.db2.gz NNZJIOXPOUWDDS-KRWDZBQOSA-N 1 3 351.539 1.210 20 30 FDEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000074134994 522689591 /nfs/dbraw/zinc/68/95/91/522689591.db2.gz DAZUQPVJNYSZES-GOSISDBHSA-N 1 3 364.538 1.032 20 30 FDEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000074134994 522689599 /nfs/dbraw/zinc/68/95/99/522689599.db2.gz DAZUQPVJNYSZES-GOSISDBHSA-N 1 3 364.538 1.032 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1 ZINC000104165630 525397551 /nfs/dbraw/zinc/39/75/51/525397551.db2.gz KTEGXERPUJDBPA-SFHVURJKSA-N 1 3 357.502 1.698 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000264106106 537137970 /nfs/dbraw/zinc/13/79/70/537137970.db2.gz PKRCBNKNNAJFIZ-QGZVFWFLSA-N 1 3 356.474 1.770 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000579389060 550868445 /nfs/dbraw/zinc/86/84/45/550868445.db2.gz XMKXCZFETACVFM-SJLPKXTDSA-N 1 3 364.534 1.332 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000579389060 550868447 /nfs/dbraw/zinc/86/84/47/550868447.db2.gz XMKXCZFETACVFM-SJLPKXTDSA-N 1 3 364.534 1.332 20 30 FDEDHO N#Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091099 552654131 /nfs/dbraw/zinc/65/41/31/552654131.db2.gz HVZQMYXOMJGMSW-CVEARBPZSA-N 1 3 352.486 2.250 20 30 FDEDHO N#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091099 552654133 /nfs/dbraw/zinc/65/41/33/552654133.db2.gz HVZQMYXOMJGMSW-CVEARBPZSA-N 1 3 352.486 2.250 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750311 676544467 /nfs/dbraw/zinc/54/44/67/676544467.db2.gz IGGBUDXKVVKEFI-LSDHHAIUSA-N 1 3 355.527 1.924 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718947 676545269 /nfs/dbraw/zinc/54/52/69/676545269.db2.gz HVSPVMCGJYADQJ-HUUCEWRRSA-N 1 3 353.511 1.678 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000516202159 689929970 /nfs/dbraw/zinc/92/99/70/689929970.db2.gz PNQTWSZHCMSYLW-UHFFFAOYSA-N 1 3 350.507 1.086 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000532264495 694870161 /nfs/dbraw/zinc/87/01/61/694870161.db2.gz YZGUULQFGCLNED-ZWKOTPCHSA-N 1 3 350.507 1.314 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891255411 774168092 /nfs/dbraw/zinc/16/80/92/774168092.db2.gz OMJMWFDBDGMLCV-HXUWFJFHSA-N 1 3 356.514 1.817 20 30 FDEDHO C=CCNC(=O)[C@@H](C)N1CCC2(CC[N@@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC000364080268 795136057 /nfs/dbraw/zinc/13/60/57/795136057.db2.gz FKLRZAFQHGBFKS-SJORKVTESA-N 1 3 362.518 1.156 20 30 FDEDHO C=CCNC(=O)[C@@H](C)N1CCC2(CC[N@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC000364080268 795136060 /nfs/dbraw/zinc/13/60/60/795136060.db2.gz FKLRZAFQHGBFKS-SJORKVTESA-N 1 3 362.518 1.156 20 30 FDEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000424139965 815316689 /nfs/dbraw/zinc/31/66/89/815316689.db2.gz ATKYGPYXGLKSAB-RDJZCZTQSA-N 1 3 357.458 1.344 20 30 FDEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000424139965 815316697 /nfs/dbraw/zinc/31/66/97/815316697.db2.gz ATKYGPYXGLKSAB-RDJZCZTQSA-N 1 3 357.458 1.344 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 ZINC000330155699 825687953 /nfs/dbraw/zinc/68/79/53/825687953.db2.gz OXDUJJHCSDNJOR-UHFFFAOYSA-N 1 3 359.474 1.901 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000303889889 827939707 /nfs/dbraw/zinc/93/97/07/827939707.db2.gz MGOPOKLGSHEINI-XYJFISCASA-N 1 3 374.533 1.584 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000305822817 828097141 /nfs/dbraw/zinc/09/71/41/828097141.db2.gz BQZUZJYGHGORSN-HNNXBMFYSA-N 1 3 359.474 1.634 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000305850233 830790652 /nfs/dbraw/zinc/79/06/52/830790652.db2.gz JKFSBKQSTFAPTN-SCTDSRPQSA-N 1 3 357.502 1.595 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642335 842306074 /nfs/dbraw/zinc/30/60/74/842306074.db2.gz IVFUSFYFDMNFIN-NEYJZJCJSA-N 1 3 363.546 1.706 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661064 842653777 /nfs/dbraw/zinc/65/37/77/842653777.db2.gz DHIOOZXMHXLFEH-LFGUQSLTSA-N 1 3 351.535 1.870 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000480979217 845996086 /nfs/dbraw/zinc/99/60/86/845996086.db2.gz LOKIPFHJJLFDFR-BRWVUGGUSA-N 1 3 364.534 1.236 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC000911237789 858349078 /nfs/dbraw/zinc/34/90/78/858349078.db2.gz YTYSYRVWGLWTGU-QGZVFWFLSA-N 1 3 362.518 1.263 20 30 FDEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(C)C ZINC000654379658 901977883 /nfs/dbraw/zinc/97/78/83/901977883.db2.gz HLPMJYWUNHAEBN-RCCFBDPRSA-N 1 3 350.507 1.145 20 30 FDEDHO C#CCC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259504 902294302 /nfs/dbraw/zinc/29/43/02/902294302.db2.gz DAVNMHXYCDZIQA-CEXWTWQISA-N 1 3 359.514 1.291 20 30 FDEDHO C#CCN1CCC(C(=O)N2CC3(CC[NH+](CC=C)CC3)[C@H]3COC[C@H]32)CC1 ZINC001079274349 902356159 /nfs/dbraw/zinc/35/61/59/902356159.db2.gz PEJCZBWMITZJKM-VQTJNVASSA-N 1 3 371.525 1.457 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC4CC(F)(F)C4)C[C@H]32)CC1 ZINC001084850888 917656412 /nfs/dbraw/zinc/65/64/12/917656412.db2.gz BDAKCROIGSEWOD-QZTJIDSGSA-N 1 3 365.468 1.910 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](CC4CC(F)(F)C4)C[C@H]32)CC1 ZINC001084850888 917656421 /nfs/dbraw/zinc/65/64/21/917656421.db2.gz BDAKCROIGSEWOD-QZTJIDSGSA-N 1 3 365.468 1.910 20 30 FDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894393 938555716 /nfs/dbraw/zinc/55/57/16/938555716.db2.gz FCQWHVBTELYQSA-ZACQAIPSSA-N 1 3 360.506 1.459 20 30 FDEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001091033856 948556985 /nfs/dbraw/zinc/55/69/85/948556985.db2.gz JOSQXVSLVHLQDT-SYNTWQANSA-N 1 3 369.937 1.970 20 30 FDEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306743 971594947 /nfs/dbraw/zinc/59/49/47/971594947.db2.gz HYJQZWKYOSMACA-GUDVDZBRSA-N 1 3 367.534 1.395 20 30 FDEDHO C=CCN1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091401250 951576379 /nfs/dbraw/zinc/57/63/79/951576379.db2.gz WXAWCWAJWPJJHH-AYOQOUSVSA-N 1 3 358.486 1.677 20 30 FDEDHO C=CCN1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091401250 951576381 /nfs/dbraw/zinc/57/63/81/951576381.db2.gz WXAWCWAJWPJJHH-AYOQOUSVSA-N 1 3 358.486 1.677 20 30 FDEDHO C#CCN(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(=O)OC(C)(C)C ZINC001146981428 952265677 /nfs/dbraw/zinc/26/56/77/952265677.db2.gz AALAEYWREQJCOZ-INIZCTEOSA-N 1 3 368.522 1.245 20 30 FDEDHO C#CCN(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(=O)OC(C)(C)C ZINC001146981428 952265680 /nfs/dbraw/zinc/26/56/80/952265680.db2.gz AALAEYWREQJCOZ-INIZCTEOSA-N 1 3 368.522 1.245 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982228 952994985 /nfs/dbraw/zinc/99/49/85/952994985.db2.gz AAMRLQIJQXHRBS-XUVXKRRUSA-N 1 3 369.513 1.344 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982228 952994986 /nfs/dbraw/zinc/99/49/86/952994986.db2.gz AAMRLQIJQXHRBS-XUVXKRRUSA-N 1 3 369.513 1.344 20 30 FDEDHO C#CCOCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001191307339 968419528 /nfs/dbraw/zinc/41/95/28/968419528.db2.gz VPICLTXPDCQOKK-UHFFFAOYSA-N 1 3 357.498 1.596 20 30 FDEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1(N3CCSCC3)CCCC1)C2 ZINC000884193440 982969656 /nfs/dbraw/zinc/96/96/56/982969656.db2.gz GIPIRBOCKQQSIQ-UPTPFMHGSA-N 1 3 362.543 1.604 20 30 FDEDHO CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000884306598 983071333 /nfs/dbraw/zinc/07/13/33/983071333.db2.gz ISNWAJQVNMHKDY-LSNYBQGISA-N 1 3 352.482 1.859 20 30 FDEDHO Cc1ccc(CN2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1 ZINC000884465909 983171123 /nfs/dbraw/zinc/17/11/23/983171123.db2.gz MSCDJKMVNZQOQQ-JMDAGXMHSA-N 1 3 352.482 1.825 20 30 FDEDHO C#CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000886583199 986387838 /nfs/dbraw/zinc/38/78/38/986387838.db2.gz GHFAILQVUUQQSJ-IBGZPJMESA-N 1 3 354.498 1.850 20 30 FDEDHO C#CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000886583200 986388257 /nfs/dbraw/zinc/38/82/57/986388257.db2.gz GHFAILQVUUQQSJ-LJQANCHMSA-N 1 3 354.498 1.850 20 30 FDEDHO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000366726857 988757488 /nfs/dbraw/zinc/75/74/88/988757488.db2.gz ZGGLJSKEDMZFTP-LPHOPBHVSA-N 1 3 364.534 1.825 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000876755880 992879254 /nfs/dbraw/zinc/87/92/54/992879254.db2.gz MZQQTURKLYTKIZ-SFHVURJKSA-N 1 3 364.921 1.733 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000876755880 992879267 /nfs/dbraw/zinc/87/92/67/992879267.db2.gz MZQQTURKLYTKIZ-SFHVURJKSA-N 1 3 364.921 1.733 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000305045622 1008607861 /nfs/dbraw/zinc/60/78/61/1008607861.db2.gz XTLYJYIKAHQGTQ-LBPRGKRZSA-N 1 3 370.400 1.905 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303865996 1009643324 /nfs/dbraw/zinc/64/33/24/1009643324.db2.gz CBEDNAIFWAPNIU-IBGZPJMESA-N 1 3 367.497 1.785 20 30 FDEDHO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132918 540814021 /nfs/dbraw/zinc/81/40/21/540814021.db2.gz FJMIOMUPCAIZRL-QFBILLFUSA-N 1 3 351.539 1.387 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555754692 544021567 /nfs/dbraw/zinc/02/15/67/544021567.db2.gz JRBGLVHPPMEDIY-UHFFFAOYSA-N 1 3 350.507 1.135 20 30 FDEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378290700 262002542 /nfs/dbraw/zinc/00/25/42/262002542.db2.gz HEFZCTGPTBQKKK-FQEVSTJZSA-N 1 3 369.513 1.987 20 30 FDEDHO CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378290700 262002543 /nfs/dbraw/zinc/00/25/43/262002543.db2.gz HEFZCTGPTBQKKK-FQEVSTJZSA-N 1 3 369.513 1.987 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000103125576 525326887 /nfs/dbraw/zinc/32/68/87/525326887.db2.gz CTHYILMDWBUQLJ-UHFFFAOYSA-N 1 3 357.498 1.979 20 30 FDEDHO C#CCN1CCC(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000188168245 536284759 /nfs/dbraw/zinc/28/47/59/536284759.db2.gz ARHLYZIJHSSPBE-JOCHJYFZSA-N 1 3 369.509 1.427 20 30 FDEDHO C#CCN1CCC(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000188168245 536284760 /nfs/dbraw/zinc/28/47/60/536284760.db2.gz ARHLYZIJHSSPBE-JOCHJYFZSA-N 1 3 369.509 1.427 20 30 FDEDHO CN1CCC(O)(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000330003230 537648836 /nfs/dbraw/zinc/64/88/36/537648836.db2.gz BPLQVTOTCDEPTQ-UHFFFAOYSA-N 1 3 352.523 1.744 20 30 FDEDHO OCCN(CC#CC[N@H+](CCO)[C@@H]1CCCSC1)[C@@H]1CCCSC1 ZINC000433188833 538208990 /nfs/dbraw/zinc/20/89/90/538208990.db2.gz DEXHMLWIIYZKRI-QZTJIDSGSA-N 1 3 372.600 1.370 20 30 FDEDHO OCCN(CC#CC[N@@H+](CCO)[C@@H]1CCCSC1)[C@@H]1CCCSC1 ZINC000433188833 538208992 /nfs/dbraw/zinc/20/89/92/538208992.db2.gz DEXHMLWIIYZKRI-QZTJIDSGSA-N 1 3 372.600 1.370 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000473006875 538735454 /nfs/dbraw/zinc/73/54/54/538735454.db2.gz YQDIEZYAZCLAAP-GOSISDBHSA-N 1 3 352.523 1.779 20 30 FDEDHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000568506779 548564797 /nfs/dbraw/zinc/56/47/97/548564797.db2.gz AMLSIVBNMUXZAY-QGZVFWFLSA-N 1 3 373.501 1.297 20 30 FDEDHO CN(C)CCN1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000576391315 550544037 /nfs/dbraw/zinc/54/40/37/550544037.db2.gz SAEVVEZZNMBOQM-LJQANCHMSA-N 1 3 360.502 1.108 20 30 FDEDHO N#CC1(C[C@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000599305200 553021321 /nfs/dbraw/zinc/02/13/21/553021321.db2.gz VTMLQYAMDCQKCC-SFHVURJKSA-N 1 3 365.518 1.635 20 30 FDEDHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306747 553021846 /nfs/dbraw/zinc/02/18/46/553021846.db2.gz CZXDWEBVNQETEW-MSOLQXFVSA-N 1 3 353.507 1.490 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1Cl ZINC000264131912 672902187 /nfs/dbraw/zinc/90/21/87/672902187.db2.gz UDRBMPYITBNBCU-ZDUSSCGKSA-N 1 3 351.882 1.458 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000267462450 673306755 /nfs/dbraw/zinc/30/67/55/673306755.db2.gz VNPZXCKLVZVKSH-PBHICJAKSA-N 1 3 350.463 1.126 20 30 FDEDHO CN1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@H]2C1 ZINC000329459515 676639589 /nfs/dbraw/zinc/63/95/89/676639589.db2.gz RQWKZGJCYRMEMB-BGTYHANMSA-N 1 3 350.507 1.304 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000378424627 678746849 /nfs/dbraw/zinc/74/68/49/678746849.db2.gz FGAVGXCBRLYRJL-RTBURBONSA-N 1 3 350.551 1.759 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000378424627 678746854 /nfs/dbraw/zinc/74/68/54/678746854.db2.gz FGAVGXCBRLYRJL-RTBURBONSA-N 1 3 350.551 1.759 20 30 FDEDHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435439245 681594281 /nfs/dbraw/zinc/59/42/81/681594281.db2.gz UHYNCHBDRYLSDM-CQSZACIVSA-N 1 3 370.544 1.656 20 30 FDEDHO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)C1=O ZINC001104810035 793793491 /nfs/dbraw/zinc/79/34/91/793793491.db2.gz XEEKBHIAPDOEDE-KZNAEPCWSA-N 1 3 364.534 1.189 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067228 795129985 /nfs/dbraw/zinc/12/99/85/795129985.db2.gz SIJZYDHBHSRCPN-BRWVUGGUSA-N 1 3 352.523 1.092 20 30 FDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC000981775246 808471040 /nfs/dbraw/zinc/47/10/40/808471040.db2.gz YGFRTLAIHVWVIQ-MOPGFXCFSA-N 1 3 361.530 1.844 20 30 FDEDHO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000261933651 811347002 /nfs/dbraw/zinc/34/70/02/811347002.db2.gz BWQRJCPALRZAFT-WMZOPIPTSA-N 1 3 371.533 1.704 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])C(C)C ZINC000419570039 812024044 /nfs/dbraw/zinc/02/40/44/812024044.db2.gz MZNQWUWEQMBYKM-RCCFBDPRSA-N 1 3 364.534 1.530 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000419729555 812120228 /nfs/dbraw/zinc/12/02/28/812120228.db2.gz OQFQWTUJOOWVRS-UHFFFAOYSA-N 1 3 358.486 1.131 20 30 FDEDHO N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000521611616 821313332 /nfs/dbraw/zinc/31/33/32/821313332.db2.gz FYZPHONWJLUFKH-HLAWJBBLSA-N 1 3 373.497 1.655 20 30 FDEDHO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCN3CCCC[C@H]3C2)CCC[N@@H+]1C ZINC000329312897 824730669 /nfs/dbraw/zinc/73/06/69/824730669.db2.gz GPRSGQAJFCXVHK-JENIJYKNSA-N 1 3 374.533 1.887 20 30 FDEDHO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCN3CCCC[C@H]3C2)CCC[N@H+]1C ZINC000329312897 824730674 /nfs/dbraw/zinc/73/06/74/824730674.db2.gz GPRSGQAJFCXVHK-JENIJYKNSA-N 1 3 374.533 1.887 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CCN(CC)C2)CC1 ZINC000668843386 857696929 /nfs/dbraw/zinc/69/69/29/857696929.db2.gz PVXSTCWVZKJTKZ-QGZVFWFLSA-N 1 3 350.507 1.086 20 30 FDEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000997094703 907268772 /nfs/dbraw/zinc/26/87/72/907268772.db2.gz XBRMQGZANUFKGD-AHRSYUTCSA-N 1 3 361.530 1.583 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559979 908615521 /nfs/dbraw/zinc/61/55/21/908615521.db2.gz VMYQYINHPMFFLT-LXGCGDOSSA-N 1 3 370.497 1.844 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604464 939915707 /nfs/dbraw/zinc/91/57/07/939915707.db2.gz BDHXOCACBAJUJS-UHOSZYNNSA-N 1 3 357.502 1.202 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604464 939915709 /nfs/dbraw/zinc/91/57/09/939915709.db2.gz BDHXOCACBAJUJS-UHOSZYNNSA-N 1 3 357.502 1.202 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607640 939919355 /nfs/dbraw/zinc/91/93/55/939919355.db2.gz GQZTXMBGKOUWQU-UHOSZYNNSA-N 1 3 359.518 1.611 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994323 940417321 /nfs/dbraw/zinc/41/73/21/940417321.db2.gz TWECYLHOXURMNP-BSDSXHPESA-N 1 3 357.502 1.058 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994323 940417327 /nfs/dbraw/zinc/41/73/27/940417327.db2.gz TWECYLHOXURMNP-BSDSXHPESA-N 1 3 357.502 1.058 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003508 940429700 /nfs/dbraw/zinc/42/97/00/940429700.db2.gz HSAAMGGQERHEMC-KZNAEPCWSA-N 1 3 357.502 1.202 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003508 940429702 /nfs/dbraw/zinc/42/97/02/940429702.db2.gz HSAAMGGQERHEMC-KZNAEPCWSA-N 1 3 357.502 1.202 20 30 FDEDHO NC(=O)c1ccc(C(=[NH2+])Nc2cccc3cc([C@H]4CNCCO4)cn32)cc1 ZINC001171258879 951727602 /nfs/dbraw/zinc/72/76/02/951727602.db2.gz NWBOVRXDLJVFMG-QGZVFWFLSA-N 1 3 363.421 1.736 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cccnc4)C[C@@]3(C)C2)CC1 ZINC001092299743 954747812 /nfs/dbraw/zinc/74/78/12/954747812.db2.gz GFKNMOFGIATXAV-IRLDBZIGSA-N 1 3 366.509 1.707 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@@]3(C)C2)CC1 ZINC001092299743 954747822 /nfs/dbraw/zinc/74/78/22/954747822.db2.gz GFKNMOFGIATXAV-IRLDBZIGSA-N 1 3 366.509 1.707 20 30 FDEDHO COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001093673184 958516620 /nfs/dbraw/zinc/51/66/20/958516620.db2.gz KQZDXSVSKZVWKW-LZQZEXGQSA-N 1 3 370.497 1.845 20 30 FDEDHO CCN1CCN(Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852872106 967678799 /nfs/dbraw/zinc/67/87/99/967678799.db2.gz BDCOJMAJAGLMID-UHFFFAOYSA-N 1 3 354.498 1.766 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000854094095 968588067 /nfs/dbraw/zinc/58/80/67/968588067.db2.gz DMHKANCEUUAKGW-IBGZPJMESA-N 1 3 358.486 1.008 20 30 FDEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000854094095 968588078 /nfs/dbraw/zinc/58/80/78/968588078.db2.gz DMHKANCEUUAKGW-IBGZPJMESA-N 1 3 358.486 1.008 20 30 FDEDHO C#CCN1CCN(C(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000121964665 977206479 /nfs/dbraw/zinc/20/64/79/977206479.db2.gz SHTGXTKSWNACIV-UHFFFAOYSA-N 1 3 360.546 1.352 20 30 FDEDHO COc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000968725388 1015577681 /nfs/dbraw/zinc/57/76/81/1015577681.db2.gz VKAKNPKVQIAIMM-ZTFGCOKTSA-N 1 3 356.470 1.598 20 30 FDEDHO COc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000968725388 1015577686 /nfs/dbraw/zinc/57/76/86/1015577686.db2.gz VKAKNPKVQIAIMM-ZTFGCOKTSA-N 1 3 356.470 1.598 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000876755879 992878852 /nfs/dbraw/zinc/87/88/52/992878852.db2.gz MZQQTURKLYTKIZ-GOSISDBHSA-N 1 3 364.921 1.733 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000876755879 992878857 /nfs/dbraw/zinc/87/88/57/992878857.db2.gz MZQQTURKLYTKIZ-GOSISDBHSA-N 1 3 364.921 1.733 20 30 FDEDHO [NH2+]=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000104173157 998314101 /nfs/dbraw/zinc/31/41/01/998314101.db2.gz AQPQGNASHNVOJR-UHFFFAOYSA-N 1 3 359.518 1.231 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1 ZINC000267432902 999334667 /nfs/dbraw/zinc/33/46/67/999334667.db2.gz MYFRIRBMSOKJQG-GOSISDBHSA-N 1 3 357.502 1.698 20 30 FDEDHO C#CCN1CCC(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)CC1 ZINC000269409676 999467744 /nfs/dbraw/zinc/46/77/44/999467744.db2.gz HCLYACRWCDHGLO-GOSISDBHSA-N 1 3 355.486 1.506 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867189 1009643456 /nfs/dbraw/zinc/64/34/56/1009643456.db2.gz CTKXAOQDPLVQRI-WOJBJXKFSA-N 1 3 373.545 1.757 20 30 FDEDHO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132919 540814155 /nfs/dbraw/zinc/81/41/55/540814155.db2.gz FJMIOMUPCAIZRL-VQIMIIECSA-N 1 3 351.539 1.387 20 30 FDEDHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000177381032 174126023 /nfs/dbraw/zinc/12/60/23/174126023.db2.gz NMWCBXCADWXLJH-IBGZPJMESA-N 1 3 360.502 1.256 20 30 FDEDHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000092615784 524898586 /nfs/dbraw/zinc/89/85/86/524898586.db2.gz PJBGLADIUVVLIV-UHFFFAOYSA-N 1 3 371.529 1.926 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000171568201 526039175 /nfs/dbraw/zinc/03/91/75/526039175.db2.gz CZRMNCHYCKKWFF-AEFFLSMTSA-N 1 3 362.518 1.086 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000171568201 526039179 /nfs/dbraw/zinc/03/91/79/526039179.db2.gz CZRMNCHYCKKWFF-AEFFLSMTSA-N 1 3 362.518 1.086 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109174657 526086671 /nfs/dbraw/zinc/08/66/71/526086671.db2.gz SVJQNSFTFSMMAH-SFHVURJKSA-N 1 3 352.523 1.419 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000247541077 537131360 /nfs/dbraw/zinc/13/13/60/537131360.db2.gz CZRMNCHYCKKWFF-WMZOPIPTSA-N 1 3 362.518 1.086 20 30 FDEDHO C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000247541077 537131361 /nfs/dbraw/zinc/13/13/61/537131361.db2.gz CZRMNCHYCKKWFF-WMZOPIPTSA-N 1 3 362.518 1.086 20 30 FDEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986284 547145335 /nfs/dbraw/zinc/14/53/35/547145335.db2.gz PYXNFCKHVJXQFY-SFHVURJKSA-N 1 3 355.490 1.449 20 30 FDEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986284 547145338 /nfs/dbraw/zinc/14/53/38/547145338.db2.gz PYXNFCKHVJXQFY-SFHVURJKSA-N 1 3 355.490 1.449 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000580229410 550957125 /nfs/dbraw/zinc/95/71/25/550957125.db2.gz DBGGGVLIBUMRMF-UHFFFAOYSA-N 1 3 364.534 1.381 20 30 FDEDHO CN1CCN(CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439720 552311344 /nfs/dbraw/zinc/31/13/44/552311344.db2.gz UNCOPWORDADFLJ-WOJBJXKFSA-N 1 3 371.529 1.893 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000600009018 553198861 /nfs/dbraw/zinc/19/88/61/553198861.db2.gz VDJZMYKRQQMKOZ-LJQANCHMSA-N 1 3 366.465 1.954 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000600009018 553198862 /nfs/dbraw/zinc/19/88/62/553198862.db2.gz VDJZMYKRQQMKOZ-LJQANCHMSA-N 1 3 366.465 1.954 20 30 FDEDHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600722121 553307105 /nfs/dbraw/zinc/30/71/05/553307105.db2.gz GGHQIQFJQSMFGC-SFHVURJKSA-N 1 3 361.486 1.788 20 30 FDEDHO C[NH+]=C(NCC1(N(C)C)CCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261783053 672671627 /nfs/dbraw/zinc/67/16/27/672671627.db2.gz QFXYTHZRSFADEB-QGZVFWFLSA-N 1 3 351.539 1.090 20 30 FDEDHO CNC(=O)CC1CCN(C(NCC2(N(C)C)CCCCC2)=[NH+]C)CC1 ZINC000261822293 672678420 /nfs/dbraw/zinc/67/84/20/672678420.db2.gz UQEZKCONNUKPCV-UHFFFAOYSA-N 1 3 351.539 1.674 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCO2 ZINC000262003738 672710157 /nfs/dbraw/zinc/71/01/57/672710157.db2.gz QNYGUTOWTVDQEX-ZDUSSCGKSA-N 1 3 352.866 2.000 20 30 FDEDHO CC[NH+]=C(NCCN1CCSCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262784779 672849496 /nfs/dbraw/zinc/84/94/96/672849496.db2.gz MBJWSRYKJPWDPJ-KRWDZBQOSA-N 1 3 353.580 1.561 20 30 FDEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481075 771865185 /nfs/dbraw/zinc/86/51/85/771865185.db2.gz CTLZLDUBUVOIAG-UJRDFLTJSA-N 1 3 357.498 1.091 20 30 FDEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1C ZINC001104256948 772450099 /nfs/dbraw/zinc/45/00/99/772450099.db2.gz XSHMDOPBUQRCFV-BRWVUGGUSA-N 1 3 370.513 1.043 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)NCc3nc(C#N)cs3)CC2)CC1 ZINC000892521949 786727679 /nfs/dbraw/zinc/72/76/79/786727679.db2.gz KFCNWBMNQXDYBJ-UHFFFAOYSA-N 1 3 362.503 1.373 20 30 FDEDHO C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832674 793963740 /nfs/dbraw/zinc/96/37/40/793963740.db2.gz NORRJLUJUXHNQC-RTBURBONSA-N 1 3 351.535 1.995 20 30 FDEDHO CN(CCC#N)c1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000105475993 807099101 /nfs/dbraw/zinc/09/91/01/807099101.db2.gz INHPCDVEYUXTAR-SFHVURJKSA-N 1 3 357.502 1.713 20 30 FDEDHO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000328984325 819605312 /nfs/dbraw/zinc/60/53/12/819605312.db2.gz SUPWMMDGPUVARA-SJORKVTESA-N 1 3 365.522 1.804 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2CC)CC1 ZINC001087840443 822559740 /nfs/dbraw/zinc/55/97/40/822559740.db2.gz XSIQBPYIVUUGFZ-VQTJNVASSA-N 1 3 371.529 1.277 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3ccnn3C)[C@@H]2CC)CC1 ZINC001087840443 822559741 /nfs/dbraw/zinc/55/97/41/822559741.db2.gz XSIQBPYIVUUGFZ-VQTJNVASSA-N 1 3 371.529 1.277 20 30 FDEDHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000330129645 825661857 /nfs/dbraw/zinc/66/18/57/825661857.db2.gz KCIYRWKGMCIYPK-INIZCTEOSA-N 1 3 365.522 1.013 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(N(C)C)CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637224 842270804 /nfs/dbraw/zinc/27/08/04/842270804.db2.gz LTZRGOQLKJNJSF-SOAMZJECSA-N 1 3 361.530 1.460 20 30 FDEDHO C[C@H](CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C)CN1CCN(C)CC1 ZINC000912508909 859832524 /nfs/dbraw/zinc/83/25/24/859832524.db2.gz SWLYOICTDZCGDW-SJORKVTESA-N 1 3 353.555 1.383 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001105945077 864179215 /nfs/dbraw/zinc/17/92/15/864179215.db2.gz KDVGYBFIWSZYAL-POAQFYNOSA-N 1 3 357.473 1.956 20 30 FDEDHO C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106784382 877827162 /nfs/dbraw/zinc/82/71/62/877827162.db2.gz IIJQYDYUTKZSDN-QZTJIDSGSA-N 1 3 364.534 1.213 20 30 FDEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259532 902294479 /nfs/dbraw/zinc/29/44/79/902294479.db2.gz DZFBUZLQDDVWFL-CEXWTWQISA-N 1 3 361.530 1.844 20 30 FDEDHO COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402283 904737829 /nfs/dbraw/zinc/73/78/29/904737829.db2.gz KHSHTFVMPUFFNZ-QKNQBKEWSA-N 1 3 361.530 1.870 20 30 FDEDHO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402283 904737836 /nfs/dbraw/zinc/73/78/36/904737836.db2.gz KHSHTFVMPUFFNZ-QKNQBKEWSA-N 1 3 361.530 1.870 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082559468 908610539 /nfs/dbraw/zinc/61/05/39/908610539.db2.gz GDNXZJPVKCDRKY-UPRAQXHNSA-N 1 3 358.461 1.974 20 30 FDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085202855 922673403 /nfs/dbraw/zinc/67/34/03/922673403.db2.gz ALDCVVIFWIFBLH-HUUCEWRRSA-N 1 3 353.898 1.828 20 30 FDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1n1ccnn1 ZINC001129918815 938567516 /nfs/dbraw/zinc/56/75/16/938567516.db2.gz KIYBQHGYQZACGM-BBWFWOEESA-N 1 3 362.522 1.705 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130989062 940411244 /nfs/dbraw/zinc/41/12/44/940411244.db2.gz UDXYCIOEVPPGGF-KZNAEPCWSA-N 1 3 357.502 1.200 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130989062 940411248 /nfs/dbraw/zinc/41/12/48/940411248.db2.gz UDXYCIOEVPPGGF-KZNAEPCWSA-N 1 3 357.502 1.200 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012432 940444260 /nfs/dbraw/zinc/44/42/60/940444260.db2.gz ISYHGCSDJKYIID-RCCFBDPRSA-N 1 3 357.502 1.202 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131012432 940444261 /nfs/dbraw/zinc/44/42/61/940444261.db2.gz ISYHGCSDJKYIID-RCCFBDPRSA-N 1 3 357.502 1.202 20 30 FDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001131079438 940492245 /nfs/dbraw/zinc/49/22/45/940492245.db2.gz LLKVTPUSXKBVGG-DJIMGWMZSA-N 1 3 356.474 1.625 20 30 FDEDHO C=C(Br)CN[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086853677 952871553 /nfs/dbraw/zinc/87/15/53/952871553.db2.gz MVLFLHPQNDRBGD-UONOGXRCSA-N 1 3 356.308 1.865 20 30 FDEDHO C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193857 957751653 /nfs/dbraw/zinc/75/16/53/957751653.db2.gz OHSMHNZXCLZOPK-NZSAHSFTSA-N 1 3 357.473 1.813 20 30 FDEDHO C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193857 957751666 /nfs/dbraw/zinc/75/16/66/957751666.db2.gz OHSMHNZXCLZOPK-NZSAHSFTSA-N 1 3 357.473 1.813 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2C)CC1 ZINC001093222058 957849067 /nfs/dbraw/zinc/84/90/67/957849067.db2.gz GCYODEWHZXZLTM-WIYYLYMNSA-N 1 3 368.525 1.919 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2C)CC1 ZINC001093222058 957849071 /nfs/dbraw/zinc/84/90/71/957849071.db2.gz GCYODEWHZXZLTM-WIYYLYMNSA-N 1 3 368.525 1.919 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001093672991 958515009 /nfs/dbraw/zinc/51/50/09/958515009.db2.gz HOLVKRXZWXKBOQ-BJZITVGISA-N 1 3 358.461 1.976 20 30 FDEDHO CN1CCN(CCCNC(=O)C#CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000852872053 967678764 /nfs/dbraw/zinc/67/87/64/967678764.db2.gz AIJOJQSHOUMECL-OAQYLSRUSA-N 1 3 368.525 1.484 20 30 FDEDHO C#CCN1CCC(c2nc(-c3ccnc(N4CCN(C)CC4)c3)no2)CC1 ZINC000854084140 968580005 /nfs/dbraw/zinc/58/00/05/968580005.db2.gz CTHPEFQUURLFRQ-UHFFFAOYSA-N 1 3 366.469 1.696 20 30 FDEDHO C#CCN1CCC(c2nc(-c3ccnc(N4CC[NH+](C)CC4)c3)no2)CC1 ZINC000854084140 968580011 /nfs/dbraw/zinc/58/00/11/968580011.db2.gz CTHPEFQUURLFRQ-UHFFFAOYSA-N 1 3 366.469 1.696 20 30 FDEDHO C#CC[NH+]1CCC(c2nc(-c3ccnc(N4CCN(C)CC4)c3)no2)CC1 ZINC000854084140 968580018 /nfs/dbraw/zinc/58/00/18/968580018.db2.gz CTHPEFQUURLFRQ-UHFFFAOYSA-N 1 3 366.469 1.696 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000848394146 976715863 /nfs/dbraw/zinc/71/58/63/976715863.db2.gz GZILAEQHWYGHKB-DLBZAZTESA-N 1 3 358.442 1.945 20 30 FDEDHO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000876716781 992825565 /nfs/dbraw/zinc/82/55/65/992825565.db2.gz NCCSZKZFRRLFBW-SPYBWZPUSA-N 1 3 356.470 1.361 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000876966084 992988011 /nfs/dbraw/zinc/98/80/11/992988011.db2.gz MLLXXEJZNLTOPW-CFVMTHIKSA-N 1 3 355.841 1.866 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073538 997395178 /nfs/dbraw/zinc/39/51/78/997395178.db2.gz DVKTZIBTUVAQIP-SJLPKXTDSA-N 1 3 359.518 1.910 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073534 997395734 /nfs/dbraw/zinc/39/57/34/997395734.db2.gz DVKTZIBTUVAQIP-FUHWJXTLSA-N 1 3 359.518 1.910 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000519575541 539493777 /nfs/dbraw/zinc/49/37/77/539493777.db2.gz VJVXBSKPUHQURS-UHFFFAOYSA-N 1 3 355.442 1.779 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000551217804 543253587 /nfs/dbraw/zinc/25/35/87/543253587.db2.gz WTHKBVNJIANZNF-KZNAEPCWSA-N 1 3 364.534 1.400 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000551217804 543253589 /nfs/dbraw/zinc/25/35/89/543253589.db2.gz WTHKBVNJIANZNF-KZNAEPCWSA-N 1 3 364.534 1.400 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000551624213 543313498 /nfs/dbraw/zinc/31/34/98/543313498.db2.gz JDPUXCGMQFMGTJ-UHFFFAOYSA-N 1 3 364.534 1.522 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000552507133 543478406 /nfs/dbraw/zinc/47/84/06/543478406.db2.gz XRULBSMQXVIORU-UHFFFAOYSA-N 1 3 364.534 1.524 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000553669150 543677949 /nfs/dbraw/zinc/67/79/49/543677949.db2.gz LEQYDCNIQBROPR-KRWDZBQOSA-N 1 3 364.534 1.237 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000553669150 543677952 /nfs/dbraw/zinc/67/79/52/543677952.db2.gz LEQYDCNIQBROPR-KRWDZBQOSA-N 1 3 364.534 1.237 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000559755302 544785060 /nfs/dbraw/zinc/78/50/60/544785060.db2.gz JMSKSMDKACWZLT-UHFFFAOYSA-N 1 3 351.539 1.352 20 30 FDEDHO C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000331379044 259190709 /nfs/dbraw/zinc/19/07/09/259190709.db2.gz FRDXQRRDIPJRNH-XLIONFOSSA-N 1 3 369.513 1.845 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171764709 526113234 /nfs/dbraw/zinc/11/32/34/526113234.db2.gz YNMFYDIDQOEGBY-LJQANCHMSA-N 1 3 363.550 1.448 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171764709 526113240 /nfs/dbraw/zinc/11/32/40/526113240.db2.gz YNMFYDIDQOEGBY-LJQANCHMSA-N 1 3 363.550 1.448 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)s1 ZINC000279925173 537359380 /nfs/dbraw/zinc/35/93/80/537359380.db2.gz FPJITKMGWQSUBY-GFCCVEGCSA-N 1 3 358.533 1.430 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000473006876 538735240 /nfs/dbraw/zinc/73/52/40/538735240.db2.gz YQDIEZYAZCLAAP-SFHVURJKSA-N 1 3 352.523 1.779 20 30 FDEDHO CN1CCN(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000567700812 548218835 /nfs/dbraw/zinc/21/88/35/548218835.db2.gz RRGFENCKKXBYGN-GOSISDBHSA-N 1 3 360.502 1.108 20 30 FDEDHO CCCN1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000570322124 549237741 /nfs/dbraw/zinc/23/77/41/549237741.db2.gz ASORKCGQTNQGHY-UHFFFAOYSA-N 1 3 350.488 1.439 20 30 FDEDHO N#CCCC[C@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570679378 549372011 /nfs/dbraw/zinc/37/20/11/549372011.db2.gz UGVYDBPGCCHALD-ROUUACIJSA-N 1 3 371.485 1.021 20 30 FDEDHO N#CCCC[C@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000570679378 549372014 /nfs/dbraw/zinc/37/20/14/549372014.db2.gz UGVYDBPGCCHALD-ROUUACIJSA-N 1 3 371.485 1.021 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000578215293 550740170 /nfs/dbraw/zinc/74/01/70/550740170.db2.gz VAZPQYAQGNVBPT-QGZVFWFLSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000621844702 556169296 /nfs/dbraw/zinc/16/92/96/556169296.db2.gz VPXYSDBBSJVJBR-SQGPQFPESA-N 1 3 362.518 1.141 20 30 FDEDHO CC[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000103893780 671593322 /nfs/dbraw/zinc/59/33/22/671593322.db2.gz GYOGWTZAQVXDBA-INIZCTEOSA-N 1 3 351.539 1.627 20 30 FDEDHO CC[NH+]=C(NC[C@H]1CCCN(C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158614561 671981339 /nfs/dbraw/zinc/98/13/39/671981339.db2.gz ILEJSQMYWYDIQA-MRXNPFEDSA-N 1 3 372.579 1.581 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1c(F)cccc1F)N(C)C ZINC000304749672 676544420 /nfs/dbraw/zinc/54/44/20/676544420.db2.gz HWZUJSIFOAXDON-CZUORRHYSA-N 1 3 353.461 1.956 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000419571972 680280304 /nfs/dbraw/zinc/28/03/04/680280304.db2.gz PWADIGOCWQVCET-BRWVUGGUSA-N 1 3 350.507 1.187 20 30 FDEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481488 771915878 /nfs/dbraw/zinc/91/58/78/771915878.db2.gz OMXOTNCIIUEYPA-KBGGIIEESA-N 1 3 359.514 1.644 20 30 FDEDHO C[C@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261993118 811362588 /nfs/dbraw/zinc/36/25/88/811362588.db2.gz MYABLKLGPPUNMN-INIZCTEOSA-N 1 3 359.522 1.424 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000419565166 812021932 /nfs/dbraw/zinc/02/19/32/812021932.db2.gz DOJWXHIUIINFMJ-FGTMMUONSA-N 1 3 362.518 1.154 20 30 FDEDHO C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969507 824260356 /nfs/dbraw/zinc/26/03/56/824260356.db2.gz ZFOCUILULQRAIR-WCIQWLHISA-N 1 3 359.514 1.147 20 30 FDEDHO CC[NH+]=C(NCCN1CCOCC1(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262455631 826997890 /nfs/dbraw/zinc/99/78/90/826997890.db2.gz KZJIYRFOKGWCMZ-SFHVURJKSA-N 1 3 365.566 1.623 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]3C2)CC1 ZINC001088211869 827493014 /nfs/dbraw/zinc/49/30/14/827493014.db2.gz DHCPXRVNFVCJSD-RTWAWAEBSA-N 1 3 366.509 1.707 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cccnc4)CC[C@@H]3C2)CC1 ZINC001088211869 827493016 /nfs/dbraw/zinc/49/30/16/827493016.db2.gz DHCPXRVNFVCJSD-RTWAWAEBSA-N 1 3 366.509 1.707 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105676278 845885839 /nfs/dbraw/zinc/88/58/39/845885839.db2.gz VDQGICHYKAISMG-HNBVOPMISA-N 1 3 351.535 1.869 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106672257 876513839 /nfs/dbraw/zinc/51/38/39/876513839.db2.gz MYHMKRBWWMAKQC-BRWVUGGUSA-N 1 3 364.534 1.093 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626541 878844476 /nfs/dbraw/zinc/84/44/76/878844476.db2.gz BWCXIIUKGIBIMS-XSYGEPLQSA-N 1 3 364.534 1.111 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626541 878844488 /nfs/dbraw/zinc/84/44/88/878844488.db2.gz BWCXIIUKGIBIMS-XSYGEPLQSA-N 1 3 364.534 1.111 20 30 FDEDHO C#CCN(C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCN(C)CC1 ZINC000921533875 907639675 /nfs/dbraw/zinc/63/96/75/907639675.db2.gz YMGKYJFLYFDFGW-OALUTQOASA-N 1 3 362.518 1.103 20 30 FDEDHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1)N(C)C ZINC001082747411 909691776 /nfs/dbraw/zinc/69/17/76/909691776.db2.gz RGXSLUWGUKYITG-LZQZEXGQSA-N 1 3 358.486 1.866 20 30 FDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085359744 924210531 /nfs/dbraw/zinc/21/05/31/924210531.db2.gz YDGHGPYOIOJXGH-HZPDHXFCSA-N 1 3 353.898 1.828 20 30 FDEDHO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000743491167 926378156 /nfs/dbraw/zinc/37/81/56/926378156.db2.gz ZHVYIXQEENOLHG-IBGZPJMESA-N 1 3 354.498 1.898 20 30 FDEDHO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000743491171 926378624 /nfs/dbraw/zinc/37/86/24/926378624.db2.gz ZHVYIXQEENOLHG-LJQANCHMSA-N 1 3 354.498 1.898 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838071 938535165 /nfs/dbraw/zinc/53/51/65/938535165.db2.gz QEXWFDSZRLHQMR-KURKYZTESA-N 1 3 360.506 1.459 20 30 FDEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130024281 938628186 /nfs/dbraw/zinc/62/81/86/938628186.db2.gz QCJYDTVSQCGDNH-SJORKVTESA-N 1 3 359.478 1.556 20 30 FDEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 ZINC001130107163 938687230 /nfs/dbraw/zinc/68/72/30/938687230.db2.gz GRDZOIMTVGNMJV-MSOLQXFVSA-N 1 3 364.538 1.932 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131003780 940429876 /nfs/dbraw/zinc/42/98/76/940429876.db2.gz PKDGNWSJIZEOSF-BRWVUGGUSA-N 1 3 363.481 1.007 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001131007663 940433790 /nfs/dbraw/zinc/43/37/90/940433790.db2.gz FFFAVZBAAZRFGD-LMMKCTJWSA-N 1 3 359.518 1.611 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880911 947596462 /nfs/dbraw/zinc/59/64/62/947596462.db2.gz QAJBHTRRLXFHTC-FFZOFVMBSA-N 1 3 355.482 1.697 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880911 947596468 /nfs/dbraw/zinc/59/64/68/947596468.db2.gz QAJBHTRRLXFHTC-FFZOFVMBSA-N 1 3 355.482 1.697 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982462 952995409 /nfs/dbraw/zinc/99/54/09/952995409.db2.gz LEJRWOQNEFFPHG-CEXWTWQISA-N 1 3 357.502 1.200 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982462 952995412 /nfs/dbraw/zinc/99/54/12/952995412.db2.gz LEJRWOQNEFFPHG-CEXWTWQISA-N 1 3 357.502 1.200 20 30 FDEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320257 972193661 /nfs/dbraw/zinc/19/36/61/972193661.db2.gz VQLFETFKCHUWAG-QZTJIDSGSA-N 1 3 355.523 1.229 20 30 FDEDHO C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]3C2)C1=O ZINC001189913754 967376356 /nfs/dbraw/zinc/37/63/56/967376356.db2.gz ZQKGDADABBRVAO-RCCFBDPRSA-N 1 3 362.518 1.038 20 30 FDEDHO C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CC[N@H+](C)CCC)[C@@H]3C2)C1=O ZINC001189913754 967376364 /nfs/dbraw/zinc/37/63/64/967376364.db2.gz ZQKGDADABBRVAO-RCCFBDPRSA-N 1 3 362.518 1.038 20 30 FDEDHO C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CN1Cc1ccccc1 ZINC000884228756 983003101 /nfs/dbraw/zinc/00/31/01/983003101.db2.gz YLMDXVUYQDVRTQ-FAIWXJIUSA-N 1 3 352.482 1.905 20 30 FDEDHO CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000884306599 983071132 /nfs/dbraw/zinc/07/11/32/983071132.db2.gz ISNWAJQVNMHKDY-XTBIFASLSA-N 1 3 352.482 1.859 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000363343690 989111226 /nfs/dbraw/zinc/11/12/26/989111226.db2.gz XUVHTQUMQJAUHS-ROUUACIJSA-N 1 3 361.530 1.679 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073531 997395506 /nfs/dbraw/zinc/39/55/06/997395506.db2.gz DVKTZIBTUVAQIP-AEFFLSMTSA-N 1 3 359.518 1.910 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000890149885 998845008 /nfs/dbraw/zinc/84/50/08/998845008.db2.gz KSYLWAVXJFGHDQ-UHFFFAOYSA-N 1 3 371.485 1.326 20 30 FDEDHO C#Cc1ccc(NC(=O)CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000930137266 1002863008 /nfs/dbraw/zinc/86/30/08/1002863008.db2.gz QVURRWFAKWXBOS-NQIIRXRSSA-N 1 3 368.525 1.954 20 30 FDEDHO C#CC1(O)CCN(CC(C[NH+]2CCC(O)(C#C)CC2)C2CCCC2)CC1 ZINC000931151195 1003926257 /nfs/dbraw/zinc/92/62/57/1003926257.db2.gz HNJXMKKHKBXLEK-UHFFFAOYSA-N 1 3 358.526 1.713 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000303875511 1009645882 /nfs/dbraw/zinc/64/58/82/1009645882.db2.gz DLPBTBXDZJPKDI-WOJBJXKFSA-N 1 3 373.545 1.757 20 30 FDEDHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304496193 1010226203 /nfs/dbraw/zinc/22/62/03/1010226203.db2.gz NQBFDPNAOITJOR-IRXDYDNUSA-N 1 3 373.501 1.357 20 30 FDEDHO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000538132916 540814043 /nfs/dbraw/zinc/81/40/43/540814043.db2.gz FJMIOMUPCAIZRL-APWZRJJASA-N 1 3 351.539 1.387 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000174776251 524734520 /nfs/dbraw/zinc/73/45/20/524734520.db2.gz KHKKMPUXRWONJD-UHFFFAOYSA-N 1 3 364.534 1.923 20 30 FDEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@@H](C)O1 ZINC000092799856 524917733 /nfs/dbraw/zinc/91/77/33/524917733.db2.gz AUMAKIDIANJVOY-QZTJIDSGSA-N 1 3 364.534 1.960 20 30 FDEDHO C#CCN1CCC(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC1 ZINC000154911299 525679690 /nfs/dbraw/zinc/67/96/90/525679690.db2.gz XPDFUYXFOOZFIW-UHFFFAOYSA-N 1 3 356.470 1.838 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CS(C)(=O)=O)c1 ZINC000170912449 525767228 /nfs/dbraw/zinc/76/72/28/525767228.db2.gz IMKYAXOWBZZMBH-INIZCTEOSA-N 1 3 352.504 1.120 20 30 FDEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000293420969 537450987 /nfs/dbraw/zinc/45/09/87/537450987.db2.gz PZVYERWRYHHNIF-UHFFFAOYSA-N 1 3 370.497 1.682 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000281389985 537537510 /nfs/dbraw/zinc/53/75/10/537537510.db2.gz BLMQGOYIPYNULL-MOPGFXCFSA-N 1 3 354.454 1.594 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000281389985 537537512 /nfs/dbraw/zinc/53/75/12/537537512.db2.gz BLMQGOYIPYNULL-MOPGFXCFSA-N 1 3 354.454 1.594 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000296516063 537714872 /nfs/dbraw/zinc/71/48/72/537714872.db2.gz ZSODGULUKRAQCA-UHFFFAOYSA-N 1 3 371.529 1.188 20 30 FDEDHO C#CCC[NH+]1CCC(NC(=O)C2CCN(Cc3cccnc3)CC2)CC1 ZINC000369755684 538060283 /nfs/dbraw/zinc/06/02/83/538060283.db2.gz ACGFIMKSTKWFLI-UHFFFAOYSA-N 1 3 354.498 1.898 20 30 FDEDHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)CC2)C[C@H](C)O1 ZINC000568090196 548394039 /nfs/dbraw/zinc/39/40/39/548394039.db2.gz WYLRBRMFOYENGN-SOLBZPMBSA-N 1 3 372.517 1.618 20 30 FDEDHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000591736985 551905192 /nfs/dbraw/zinc/90/51/92/551905192.db2.gz ZIFRZAMJKOBBAH-ICSRJNTNSA-N 1 3 372.513 1.250 20 30 FDEDHO CN1CCN(CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439718 552311235 /nfs/dbraw/zinc/31/12/35/552311235.db2.gz UNCOPWORDADFLJ-VQTJNVASSA-N 1 3 371.529 1.893 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000594449871 552312688 /nfs/dbraw/zinc/31/26/88/552312688.db2.gz PNXGBEXXYSYWSQ-MRXNPFEDSA-N 1 3 359.474 1.320 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000594450033 552312890 /nfs/dbraw/zinc/31/28/90/552312890.db2.gz RHJHZIUFAPLOIP-GOSISDBHSA-N 1 3 357.502 1.507 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000595269365 552508573 /nfs/dbraw/zinc/50/85/73/552508573.db2.gz PHDWSOFWCZZJDJ-XOKHGSTOSA-N 1 3 350.413 1.938 20 30 FDEDHO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000598728930 552928609 /nfs/dbraw/zinc/92/86/09/552928609.db2.gz XMEHEGVUVVCXFU-IBGZPJMESA-N 1 3 372.513 1.774 20 30 FDEDHO C[NH+]=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000083175131 671472152 /nfs/dbraw/zinc/47/21/52/671472152.db2.gz VUCMMHDPIBXJDB-MRXNPFEDSA-N 1 3 365.591 1.750 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1cc(OC)cc(OC)c1 ZINC000123578487 671727832 /nfs/dbraw/zinc/72/78/32/671727832.db2.gz MZRQLUYLLGFIPJ-CQSZACIVSA-N 1 3 350.463 1.471 20 30 FDEDHO CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262434949 672789284 /nfs/dbraw/zinc/78/92/84/672789284.db2.gz FZVTZFMQFKRTEU-ZWKOTPCHSA-N 1 3 351.539 1.233 20 30 FDEDHO C=C[C@@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000290002473 676186625 /nfs/dbraw/zinc/18/66/25/676186625.db2.gz ZFXRSZJIYJVFGJ-HOCLYGCPSA-N 1 3 355.504 1.114 20 30 FDEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303882537 676543448 /nfs/dbraw/zinc/54/34/48/676543448.db2.gz IEAUAGGUEFJKET-UHFFFAOYSA-N 1 3 361.559 1.688 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750310 676544354 /nfs/dbraw/zinc/54/43/54/676544354.db2.gz IGGBUDXKVVKEFI-HUUCEWRRSA-N 1 3 355.527 1.924 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C(C)C ZINC000419574640 680281054 /nfs/dbraw/zinc/28/10/54/680281054.db2.gz VCLLXAMGNGOIOF-DLBZAZTESA-N 1 3 350.507 1.060 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104812055 793827303 /nfs/dbraw/zinc/82/73/03/793827303.db2.gz KUMNSQDTEVOJGK-BRWVUGGUSA-N 1 3 352.523 1.093 20 30 FDEDHO C[C@]1(CNC(=[NH2+])NCCCN2CCOCC2)CCCN1Cc1ccccc1 ZINC000162456662 795346738 /nfs/dbraw/zinc/34/67/38/795346738.db2.gz UTTGRTNWEUPUTJ-OAQYLSRUSA-N 1 3 373.545 1.668 20 30 FDEDHO C[C@H](O)CN1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H]1C ZINC000330823851 819644501 /nfs/dbraw/zinc/64/45/01/819644501.db2.gz DXCMMVZCMSHTFR-CABCVRRESA-N 1 3 366.481 1.688 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000480979224 845996310 /nfs/dbraw/zinc/99/63/10/845996310.db2.gz LOKIPFHJJLFDFR-YESZJQIVSA-N 1 3 364.534 1.236 20 30 FDEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455191 875398966 /nfs/dbraw/zinc/39/89/66/875398966.db2.gz FBDASOSMRKOGJV-HCBQETRLSA-N 1 3 353.894 1.286 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137574 883111963 /nfs/dbraw/zinc/11/19/63/883111963.db2.gz RUEOBQRYLONAGP-FTEYMNFISA-N 1 3 364.534 1.416 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137574 883111970 /nfs/dbraw/zinc/11/19/70/883111970.db2.gz RUEOBQRYLONAGP-FTEYMNFISA-N 1 3 364.534 1.416 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001080998082 906973954 /nfs/dbraw/zinc/97/39/54/906973954.db2.gz RMJZTXAZFFZEBG-WSTZPKSXSA-N 1 3 361.530 1.585 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001080998082 906973960 /nfs/dbraw/zinc/97/39/60/906973960.db2.gz RMJZTXAZFFZEBG-WSTZPKSXSA-N 1 3 361.530 1.585 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2OC)CC1 ZINC001082383466 907378489 /nfs/dbraw/zinc/37/84/89/907378489.db2.gz YUYNKHIQBBZZNV-WOJBJXKFSA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2OC)CC1 ZINC001082383466 907378512 /nfs/dbraw/zinc/37/85/12/907378512.db2.gz YUYNKHIQBBZZNV-WOJBJXKFSA-N 1 3 361.530 1.727 20 30 FDEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433857 938423993 /nfs/dbraw/zinc/42/39/93/938423993.db2.gz WDYRRRBNFGQMFF-KURKYZTESA-N 1 3 362.522 1.542 20 30 FDEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433857 938423994 /nfs/dbraw/zinc/42/39/94/938423994.db2.gz WDYRRRBNFGQMFF-KURKYZTESA-N 1 3 362.522 1.542 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837583 938535069 /nfs/dbraw/zinc/53/50/69/938535069.db2.gz GEGAQSZMAHDTFR-SQNIBIBYSA-N 1 3 360.506 1.459 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687580 939977116 /nfs/dbraw/zinc/97/71/16/939977116.db2.gz HASSQROURBBHAS-SXLOBPIMSA-N 1 3 371.529 1.590 20 30 FDEDHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772981443 952410379 /nfs/dbraw/zinc/41/03/79/952410379.db2.gz DFORHVLKEBSVAV-WMEZAZGNSA-N 1 3 364.490 1.239 20 30 FDEDHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772981443 952410383 /nfs/dbraw/zinc/41/03/83/952410383.db2.gz DFORHVLKEBSVAV-WMEZAZGNSA-N 1 3 364.490 1.239 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@@H]3CCCO3)C2)CC1 ZINC001086882371 952913957 /nfs/dbraw/zinc/91/39/57/952913957.db2.gz NYRXGMQRTRVLNF-SXLOBPIMSA-N 1 3 361.530 1.775 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)no3)C2)CC1 ZINC001086882498 952914249 /nfs/dbraw/zinc/91/42/49/952914249.db2.gz SVWJFNLAYSMXRV-FUHWJXTLSA-N 1 3 358.486 1.703 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)CC1 ZINC001086882408 952914334 /nfs/dbraw/zinc/91/43/34/952914334.db2.gz PRKBFLJSLUIIFY-PKOBYXMFSA-N 1 3 369.513 1.505 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000855404829 970338571 /nfs/dbraw/zinc/33/85/71/970338571.db2.gz XPNQIAIUGMTKCJ-FQEVSTJZSA-N 1 3 355.482 1.215 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000855404829 970338588 /nfs/dbraw/zinc/33/85/88/970338588.db2.gz XPNQIAIUGMTKCJ-FQEVSTJZSA-N 1 3 355.482 1.215 20 30 FDEDHO CCCN1CCC[C@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849050935 977293946 /nfs/dbraw/zinc/29/39/46/977293946.db2.gz PCXOMWTYKGXYHW-JKSUJKDBSA-N 1 3 365.522 1.741 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000883341915 982085200 /nfs/dbraw/zinc/08/52/00/982085200.db2.gz DSOUYHDRBIDIFD-IBGZPJMESA-N 1 3 364.534 1.970 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884206620 982982719 /nfs/dbraw/zinc/98/27/19/982982719.db2.gz ZRBFYLWGVOQXSF-SSZRJXQFSA-N 1 3 373.545 1.143 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884206620 982982726 /nfs/dbraw/zinc/98/27/26/982982726.db2.gz ZRBFYLWGVOQXSF-SSZRJXQFSA-N 1 3 373.545 1.143 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])(CC)CC1)C(C)C ZINC000884614411 983277895 /nfs/dbraw/zinc/27/78/95/983277895.db2.gz MEIJAJFGARVUJX-KRWDZBQOSA-N 1 3 364.534 1.531 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C(C)C ZINC000884614468 983277968 /nfs/dbraw/zinc/27/79/68/983277968.db2.gz NURXNYGPBBLQAK-OKZBNKHCSA-N 1 3 362.518 1.154 20 30 FDEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000366726853 988757798 /nfs/dbraw/zinc/75/77/98/988757798.db2.gz ZGGLJSKEDMZFTP-APWZRJJASA-N 1 3 364.534 1.825 20 30 FDEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000876846926 992936030 /nfs/dbraw/zinc/93/60/30/992936030.db2.gz GDYMDWJWALOASD-INIZCTEOSA-N 1 3 370.925 1.297 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287012964 999953985 /nfs/dbraw/zinc/95/39/85/999953985.db2.gz FWMCPPLLEXFEIY-WBVHZDCISA-N 1 3 361.490 1.386 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000553396144 543625888 /nfs/dbraw/zinc/62/58/88/543625888.db2.gz WLWMRODVWMOYRV-KRWDZBQOSA-N 1 3 364.534 1.524 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000553669663 543677791 /nfs/dbraw/zinc/67/77/91/543677791.db2.gz YXYAIVLGOQPPHV-GOSISDBHSA-N 1 3 362.518 1.230 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000554702100 543855622 /nfs/dbraw/zinc/85/56/22/543855622.db2.gz QEFOBHVYZCIPMY-UHFFFAOYSA-N 1 3 361.490 1.472 20 30 FDEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083032520 524234243 /nfs/dbraw/zinc/23/42/43/524234243.db2.gz OWWJHZHKFKCFTP-WMZOPIPTSA-N 1 3 359.518 1.688 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000171707948 526087549 /nfs/dbraw/zinc/08/75/49/526087549.db2.gz VHJJFWTXZMWHQO-GOSISDBHSA-N 1 3 351.539 1.208 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000183762542 536045480 /nfs/dbraw/zinc/04/54/80/536045480.db2.gz LEXKWRNGXIHZTL-FQEVSTJZSA-N 1 3 355.482 1.215 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000183762542 536045487 /nfs/dbraw/zinc/04/54/87/536045487.db2.gz LEXKWRNGXIHZTL-FQEVSTJZSA-N 1 3 355.482 1.215 20 30 FDEDHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264297479 537140612 /nfs/dbraw/zinc/14/06/12/537140612.db2.gz QVOBAYOUCSGINM-SFHVURJKSA-N 1 3 357.502 1.845 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000281389997 537536862 /nfs/dbraw/zinc/53/68/62/537536862.db2.gz BLMQGOYIPYNULL-RBUKOAKNSA-N 1 3 354.454 1.594 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000281389997 537536871 /nfs/dbraw/zinc/53/68/71/537536871.db2.gz BLMQGOYIPYNULL-RBUKOAKNSA-N 1 3 354.454 1.594 20 30 FDEDHO C=CCN1CC[C@H](N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000369187619 538002829 /nfs/dbraw/zinc/00/28/29/538002829.db2.gz IVTRSXHEDFENFS-FQEVSTJZSA-N 1 3 362.562 1.901 20 30 FDEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000370698754 538091210 /nfs/dbraw/zinc/09/12/10/538091210.db2.gz OREIOKUJDMBFLP-PMACEKPBSA-N 1 3 354.498 1.878 20 30 FDEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000370698754 538091214 /nfs/dbraw/zinc/09/12/14/538091214.db2.gz OREIOKUJDMBFLP-PMACEKPBSA-N 1 3 354.498 1.878 20 30 FDEDHO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)CC1 ZINC000565715288 547453266 /nfs/dbraw/zinc/45/32/66/547453266.db2.gz UFGVCWHOCWPQAT-QGZVFWFLSA-N 1 3 372.473 1.862 20 30 FDEDHO N#Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000569921200 549094943 /nfs/dbraw/zinc/09/49/43/549094943.db2.gz OIRKPMJSHMRHQC-PKOBYXMFSA-N 1 3 359.470 1.388 20 30 FDEDHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306750 553021797 /nfs/dbraw/zinc/02/17/97/553021797.db2.gz CZXDWEBVNQETEW-ZWKOTPCHSA-N 1 3 353.507 1.490 20 30 FDEDHO N#CC1(C[C@H](O)CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722905 553307267 /nfs/dbraw/zinc/30/72/67/553307267.db2.gz RXHWTZHPFZJYQN-MOPGFXCFSA-N 1 3 370.497 1.528 20 30 FDEDHO N#CC1(C[C@H](O)CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722905 553307269 /nfs/dbraw/zinc/30/72/69/553307269.db2.gz RXHWTZHPFZJYQN-MOPGFXCFSA-N 1 3 370.497 1.528 20 30 FDEDHO N#CC1(C[C@H](O)C[NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722905 553307270 /nfs/dbraw/zinc/30/72/70/553307270.db2.gz RXHWTZHPFZJYQN-MOPGFXCFSA-N 1 3 370.497 1.528 20 30 FDEDHO C=C(CNC(=O)CN1[C@H](C)CC[C@H]1C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000620748093 555978689 /nfs/dbraw/zinc/97/86/89/555978689.db2.gz LPXOHNCYYZCJRC-BRSBDYLESA-N 1 3 364.534 1.521 20 30 FDEDHO CN1CCN(CCCNC(=[NH2+])N2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000303904990 676543688 /nfs/dbraw/zinc/54/36/88/676543688.db2.gz VHHMMJVUIDMYMZ-GOSISDBHSA-N 1 3 361.559 1.729 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718945 676545231 /nfs/dbraw/zinc/54/52/31/676545231.db2.gz HVSPVMCGJYADQJ-CABCVRRESA-N 1 3 353.511 1.678 20 30 FDEDHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCCC[C@H]1O ZINC000330279204 676682860 /nfs/dbraw/zinc/68/28/60/676682860.db2.gz QQNLAXNIPAQHNX-QZTJIDSGSA-N 1 3 352.523 1.694 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000369463332 677505586 /nfs/dbraw/zinc/50/55/86/677505586.db2.gz NZPZUUZLZYCVOY-MRXNPFEDSA-N 1 3 350.507 1.532 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C(C)C ZINC000419574641 680281366 /nfs/dbraw/zinc/28/13/66/680281366.db2.gz VCLLXAMGNGOIOF-IAGOWNOFSA-N 1 3 350.507 1.060 20 30 FDEDHO C=CCN1CC[C@@H](N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1=O ZINC000662326721 806484102 /nfs/dbraw/zinc/48/41/02/806484102.db2.gz APPSCMNLRONVIC-LJQANCHMSA-N 1 3 357.502 1.843 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675433 805203181 /nfs/dbraw/zinc/20/31/81/805203181.db2.gz RAMLPISEQMEAAW-HLAWJBBLSA-N 1 3 369.509 1.562 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675433 805203188 /nfs/dbraw/zinc/20/31/88/805203188.db2.gz RAMLPISEQMEAAW-HLAWJBBLSA-N 1 3 369.509 1.562 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000664020347 810174476 /nfs/dbraw/zinc/17/44/76/810174476.db2.gz QWYJFAVYUOTFPF-FQEVSTJZSA-N 1 3 372.513 1.703 20 30 FDEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000664020347 810174477 /nfs/dbraw/zinc/17/44/77/810174477.db2.gz QWYJFAVYUOTFPF-FQEVSTJZSA-N 1 3 372.513 1.703 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])C(C)C ZINC000419570037 812024154 /nfs/dbraw/zinc/02/41/54/812024154.db2.gz MZNQWUWEQMBYKM-KZNAEPCWSA-N 1 3 364.534 1.530 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])C(C)C ZINC000419572123 812026731 /nfs/dbraw/zinc/02/67/31/812026731.db2.gz QFMRDNQCVZRZLB-OKZBNKHCSA-N 1 3 364.534 1.387 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000419736401 812161829 /nfs/dbraw/zinc/16/18/29/812161829.db2.gz XHHDHHYFXNEGMD-FUHWJXTLSA-N 1 3 362.518 1.134 20 30 FDEDHO C=C(C)CN(CC)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420197724 813531493 /nfs/dbraw/zinc/53/14/93/813531493.db2.gz BOTPWVBNTAREGL-UHFFFAOYSA-N 1 3 372.513 1.521 20 30 FDEDHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908438 823743865 /nfs/dbraw/zinc/74/38/65/823743865.db2.gz BYQQQRAQRRYHHI-HSALFYBXSA-N 1 3 352.482 1.933 20 30 FDEDHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908438 823743873 /nfs/dbraw/zinc/74/38/73/823743873.db2.gz BYQQQRAQRRYHHI-HSALFYBXSA-N 1 3 352.482 1.933 20 30 FDEDHO COC[C@@H]1C[C@@H](OC)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329140297 824624550 /nfs/dbraw/zinc/62/45/50/824624550.db2.gz SWVWPIRBULUBPM-ZWKOTPCHSA-N 1 3 368.522 1.195 20 30 FDEDHO CCC(=O)N1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000330033270 825606413 /nfs/dbraw/zinc/60/64/13/825606413.db2.gz VKAQBQVIOCDXHQ-MRXNPFEDSA-N 1 3 365.522 1.060 20 30 FDEDHO C[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CC[C@@H](N2CCCCC2)C1 ZINC000262488794 827459595 /nfs/dbraw/zinc/45/95/95/827459595.db2.gz UEGJBAPKGAIHQY-MRXNPFEDSA-N 1 3 374.485 1.930 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637625 842272687 /nfs/dbraw/zinc/27/26/87/842272687.db2.gz STTLYDMMCJTHRY-VURPSTOHSA-N 1 3 361.530 1.460 20 30 FDEDHO C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)N(C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105641873 842306813 /nfs/dbraw/zinc/30/68/13/842306813.db2.gz FJMOTEDJLSBQGO-WWNBULGVSA-N 1 3 351.535 1.869 20 30 FDEDHO C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661375 842690049 /nfs/dbraw/zinc/69/00/49/842690049.db2.gz IEHMQYZPFWSWNK-JYBIWHBTSA-N 1 3 351.535 1.870 20 30 FDEDHO CSCCC[NH+]=C(NC[C@@H](C)CN1CCN(C)CC1)NC(C)(C)C ZINC000912508177 859832637 /nfs/dbraw/zinc/83/26/37/859832637.db2.gz ITFOKOIWTWBNKU-MRXNPFEDSA-N 1 3 357.612 1.957 20 30 FDEDHO C[C@H](CNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C)CN1CCN(C)CC1 ZINC000912508908 859832878 /nfs/dbraw/zinc/83/28/78/859832878.db2.gz SWLYOICTDZCGDW-IAGOWNOFSA-N 1 3 353.555 1.383 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2O)CC1 ZINC001078227210 898429115 /nfs/dbraw/zinc/42/91/15/898429115.db2.gz OEIUVBHYDZMCIB-WOJBJXKFSA-N 1 3 361.530 1.463 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@H]2O)CC1 ZINC001078227210 898429120 /nfs/dbraw/zinc/42/91/20/898429120.db2.gz OEIUVBHYDZMCIB-WOJBJXKFSA-N 1 3 361.530 1.463 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130671970 939971243 /nfs/dbraw/zinc/97/12/43/939971243.db2.gz DYNQVFUIHLMFOZ-FUHWJXTLSA-N 1 3 361.534 1.858 20 30 FDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672366 939971551 /nfs/dbraw/zinc/97/15/51/939971551.db2.gz ORBTVMWNCMZBMO-FUHWJXTLSA-N 1 3 359.518 1.612 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131054134 940481018 /nfs/dbraw/zinc/48/10/18/940481018.db2.gz TXFSARFCHMADQZ-GUDVDZBRSA-N 1 3 371.529 1.449 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131054134 940481019 /nfs/dbraw/zinc/48/10/19/940481019.db2.gz TXFSARFCHMADQZ-GUDVDZBRSA-N 1 3 371.529 1.449 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193073 957750339 /nfs/dbraw/zinc/75/03/39/957750339.db2.gz CIDWYQUCAVYOIM-ZTFGCOKTSA-N 1 3 358.461 1.833 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193073 957750351 /nfs/dbraw/zinc/75/03/51/957750351.db2.gz CIDWYQUCAVYOIM-ZTFGCOKTSA-N 1 3 358.461 1.833 20 30 FDEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474398 960643384 /nfs/dbraw/zinc/64/33/84/960643384.db2.gz XTCUSBJHNNOMFW-LONDADKYSA-N 1 3 359.514 1.787 20 30 FDEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474398 960643397 /nfs/dbraw/zinc/64/33/97/960643397.db2.gz XTCUSBJHNNOMFW-LONDADKYSA-N 1 3 359.514 1.787 20 30 FDEDHO C[NH+](C)CCN1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173429368 962145735 /nfs/dbraw/zinc/14/57/35/962145735.db2.gz VUWZSVIRMNIZQZ-UHFFFAOYSA-N 1 3 369.513 1.342 20 30 FDEDHO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1CCN(Cc3ccncc3)CC1)C2 ZINC000884402477 983139409 /nfs/dbraw/zinc/13/94/09/983139409.db2.gz VEWGKIBCHDVQDB-SCCNAQOGSA-N 1 3 367.497 1.549 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000367524795 988955358 /nfs/dbraw/zinc/95/53/58/988955358.db2.gz OGMRUYIHKSTEIZ-KRWDZBQOSA-N 1 3 363.550 1.447 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000297615844 989579512 /nfs/dbraw/zinc/57/95/12/989579512.db2.gz KDGPWVCBMOSQBA-HXUWFJFHSA-N 1 3 372.513 1.355 20 30 FDEDHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876713836 992819198 /nfs/dbraw/zinc/81/91/98/992819198.db2.gz UJCJXBAFAZQWMR-PKOBYXMFSA-N 1 3 356.470 1.218 20 30 FDEDHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876713836 992819209 /nfs/dbraw/zinc/81/92/09/992819209.db2.gz UJCJXBAFAZQWMR-PKOBYXMFSA-N 1 3 356.470 1.218 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000264068721 997395863 /nfs/dbraw/zinc/39/58/63/997395863.db2.gz CJZJUNLGJPNGPO-QZTJIDSGSA-N 1 3 373.501 1.693 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270817671 999619039 /nfs/dbraw/zinc/61/90/39/999619039.db2.gz HXSPHMKGNIGRAX-SFTDATJTSA-N 1 3 369.509 1.331 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270817671 999619041 /nfs/dbraw/zinc/61/90/41/999619041.db2.gz HXSPHMKGNIGRAX-SFTDATJTSA-N 1 3 369.509 1.331 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303788832 1009583756 /nfs/dbraw/zinc/58/37/56/1009583756.db2.gz UUESGEYBNBDNJE-LJQANCHMSA-N 1 3 359.518 1.407 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOc1cc(OC)cc(OC)c1 ZINC000304832497 1010498659 /nfs/dbraw/zinc/49/86/59/1010498659.db2.gz LFHQXKADVAZBKV-OAHLLOKOSA-N 1 3 364.490 1.861 20 30 FDEDHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000541880617 541287812 /nfs/dbraw/zinc/28/78/12/541287812.db2.gz RHHRJXYQQVSBPD-UHFFFAOYSA-N 1 3 368.485 1.618 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000550834486 543183602 /nfs/dbraw/zinc/18/36/02/543183602.db2.gz KSUZOXKKRSTCLC-MSOLQXFVSA-N 1 3 364.534 1.354 20 30 FDEDHO COc1cc(C#N)ccc1OCCN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000077275157 172124056 /nfs/dbraw/zinc/12/40/56/172124056.db2.gz KQKCZLWSKOWFOT-UHFFFAOYSA-N 1 3 374.485 1.335 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000077663093 523407433 /nfs/dbraw/zinc/40/74/33/523407433.db2.gz ZBFYPSQXJHAWHN-QGZVFWFLSA-N 1 3 364.534 1.827 20 30 FDEDHO C#CCN1CCC(C(=O)N2CCN(C3CC[NH+](CCC)CC3)CC2)CC1 ZINC000112324799 524459707 /nfs/dbraw/zinc/45/97/07/524459707.db2.gz ZTOOSKRLMZAEHP-UHFFFAOYSA-N 1 3 360.546 1.350 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(OCC#N)c3)CC2)CC1 ZINC000089805465 524530386 /nfs/dbraw/zinc/53/03/86/524530386.db2.gz NWYGVGNBHMFHNZ-UHFFFAOYSA-N 1 3 370.497 1.806 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](N3CCN(CC)CC3)C2)CC1 ZINC000106562943 525758807 /nfs/dbraw/zinc/75/88/07/525758807.db2.gz NLADVEYLCHJAOG-IBGZPJMESA-N 1 3 363.550 1.448 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000264149487 537138871 /nfs/dbraw/zinc/13/88/71/537138871.db2.gz YTMWOLTZQWGWEX-LBPRGKRZSA-N 1 3 369.395 1.637 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(C)C ZINC000424125906 538242914 /nfs/dbraw/zinc/24/29/14/538242914.db2.gz AWTJNKBLTJHGRF-SJLPKXTDSA-N 1 3 360.506 1.631 20 30 FDEDHO N#CCCC[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000424149903 538245158 /nfs/dbraw/zinc/24/51/58/538245158.db2.gz XUBSSVCOFUZNKU-GOSISDBHSA-N 1 3 362.449 1.806 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000561453435 545857769 /nfs/dbraw/zinc/85/77/69/545857769.db2.gz VQQOZBHBPFLYMK-KRWDZBQOSA-N 1 3 362.518 1.087 20 30 FDEDHO C[C@@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564843650 547063773 /nfs/dbraw/zinc/06/37/73/547063773.db2.gz DVWWMMQIHMYQNZ-MRXNPFEDSA-N 1 3 364.515 1.829 20 30 FDEDHO C[C@@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564843650 547063774 /nfs/dbraw/zinc/06/37/74/547063774.db2.gz DVWWMMQIHMYQNZ-MRXNPFEDSA-N 1 3 364.515 1.829 20 30 FDEDHO CN1CCN(CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000567700813 548219369 /nfs/dbraw/zinc/21/93/69/548219369.db2.gz RRGFENCKKXBYGN-SFHVURJKSA-N 1 3 360.502 1.108 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594256606 552272104 /nfs/dbraw/zinc/27/21/04/552272104.db2.gz STLCAOJUPFFJEU-KDURUIRLSA-N 1 3 357.502 1.972 20 30 FDEDHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000600724682 553307530 /nfs/dbraw/zinc/30/75/30/553307530.db2.gz HDHAXOMILGNOFQ-PKOBYXMFSA-N 1 3 358.486 1.056 20 30 FDEDHO CN1CCN(CCCNC(=[NH2+])N2CCSCC2)[C@H](c2ccccc2)C1 ZINC000104169381 671594615 /nfs/dbraw/zinc/59/46/15/671594615.db2.gz VHHMMJVUIDMYMZ-SFHVURJKSA-N 1 3 361.559 1.729 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178566100 672143609 /nfs/dbraw/zinc/14/36/09/672143609.db2.gz HCWIFCSRMDIEES-CABCVRRESA-N 1 3 353.511 1.775 20 30 FDEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262524225 672803050 /nfs/dbraw/zinc/80/30/50/672803050.db2.gz FYAGOUCDZHXHOM-OAHLLOKOSA-N 1 3 352.523 1.957 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(Br)c1 ZINC000283149987 675649300 /nfs/dbraw/zinc/64/93/00/675649300.db2.gz YWSRBQKHSJZEBZ-LSDHHAIUSA-N 1 3 369.307 1.871 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472614 676868233 /nfs/dbraw/zinc/86/82/33/676868233.db2.gz LTKWTTUYLDRSCD-IEBWSBKVSA-N 1 3 350.551 1.900 20 30 FDEDHO C=CCNC(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266889 678501277 /nfs/dbraw/zinc/50/12/77/678501277.db2.gz MWZIPZZOTWQTAK-QGZVFWFLSA-N 1 3 350.551 1.805 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419691760 680323904 /nfs/dbraw/zinc/32/39/04/680323904.db2.gz AFGSCPLMWJDEQW-UHFFFAOYSA-N 1 3 350.507 1.182 20 30 FDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001022098311 777913298 /nfs/dbraw/zinc/91/32/98/777913298.db2.gz JPZHALFQIKJVIO-TWMKSMIVSA-N 1 3 355.910 1.723 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673451 804826239 /nfs/dbraw/zinc/82/62/39/804826239.db2.gz KGZXBOSRPAXQTB-SESVDKBCSA-N 1 3 369.509 1.705 20 30 FDEDHO COCC#CCN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673451 804826247 /nfs/dbraw/zinc/82/62/47/804826247.db2.gz KGZXBOSRPAXQTB-SESVDKBCSA-N 1 3 369.509 1.705 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211678456 805351124 /nfs/dbraw/zinc/35/11/24/805351124.db2.gz XJGUBQGHIXHAJV-SESVDKBCSA-N 1 3 369.509 1.705 20 30 FDEDHO C#CCCN[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C(F)(F)F ZINC001112124587 810837325 /nfs/dbraw/zinc/83/73/25/810837325.db2.gz NAFWGDDBWSHJDU-HZPDHXFCSA-N 1 3 368.403 1.910 20 30 FDEDHO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@H]3CN4CCN3CCC4)nc2)C1 ZINC000328933812 819583049 /nfs/dbraw/zinc/58/30/49/819583049.db2.gz IRVMHKMDUJNCKK-IAGOWNOFSA-N 1 3 358.490 1.200 20 30 FDEDHO C=CCN1CCC(NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000474328030 822718659 /nfs/dbraw/zinc/71/86/59/822718659.db2.gz FOKIGPIAKMBSTB-UHFFFAOYSA-N 1 3 359.474 1.572 20 30 FDEDHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(C2CCCC2)CC1 ZINC000330214793 825737218 /nfs/dbraw/zinc/73/72/18/825737218.db2.gz GKZSWQCMTWPBAX-MOPGFXCFSA-N 1 3 364.534 1.838 20 30 FDEDHO CC[NH+]=C(NCC(C)(C)N1CCOCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262496755 827601697 /nfs/dbraw/zinc/60/16/97/827601697.db2.gz WTPAUJDTVQDTMF-SFHVURJKSA-N 1 3 365.566 1.623 20 30 FDEDHO C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000913893297 869935876 /nfs/dbraw/zinc/93/58/76/869935876.db2.gz NTFKAFORZOEVRL-LJQANCHMSA-N 1 3 354.498 2.000 20 30 FDEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133730 870113852 /nfs/dbraw/zinc/11/38/52/870113852.db2.gz QUJRCGJERWWBPI-IAGOWNOFSA-N 1 3 364.534 1.237 20 30 FDEDHO C=C(C)CN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC000999987538 896521034 /nfs/dbraw/zinc/52/10/34/896521034.db2.gz PLWCSOFAOHLZFT-OKZBNKHCSA-N 1 3 360.506 1.448 20 30 FDEDHO C=C(C)CN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999987538 896521042 /nfs/dbraw/zinc/52/10/42/896521042.db2.gz PLWCSOFAOHLZFT-OKZBNKHCSA-N 1 3 360.506 1.448 20 30 FDEDHO C#CCCNCc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128107516 896967076 /nfs/dbraw/zinc/96/70/76/896967076.db2.gz SKFRMUDFVYDIDL-BHIYHBOVSA-N 1 3 369.513 1.230 20 30 FDEDHO C#CCCNCc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107516 896967077 /nfs/dbraw/zinc/96/70/77/896967077.db2.gz SKFRMUDFVYDIDL-BHIYHBOVSA-N 1 3 369.513 1.230 20 30 FDEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902445 930718155 /nfs/dbraw/zinc/71/81/55/930718155.db2.gz JIADVNDLSFLAQF-NJAFHUGGSA-N 1 3 351.491 1.021 20 30 FDEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548549 931472160 /nfs/dbraw/zinc/47/21/60/931472160.db2.gz FRVCLKCRTXFETB-ZWOKBUDYSA-N 1 3 364.534 1.237 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001130137020 938709715 /nfs/dbraw/zinc/70/97/15/938709715.db2.gz FFYFMPAFVJFAIA-KURKYZTESA-N 1 3 360.506 1.460 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193072 957749738 /nfs/dbraw/zinc/74/97/38/957749738.db2.gz CIDWYQUCAVYOIM-FHLIZLRMSA-N 1 3 358.461 1.833 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193072 957749745 /nfs/dbraw/zinc/74/97/45/957749745.db2.gz CIDWYQUCAVYOIM-FHLIZLRMSA-N 1 3 358.461 1.833 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001093223529 957853231 /nfs/dbraw/zinc/85/32/31/957853231.db2.gz AYCICANGPXKTRD-QWFCFKBJSA-N 1 3 361.530 1.442 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001093223529 957853246 /nfs/dbraw/zinc/85/32/46/957853246.db2.gz AYCICANGPXKTRD-QWFCFKBJSA-N 1 3 361.530 1.442 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nccs3)[C@H](C)C2)CC1 ZINC001094240154 960159390 /nfs/dbraw/zinc/15/93/90/960159390.db2.gz SHOTUOAHDLTGML-NVXWUHKLSA-N 1 3 360.527 1.672 20 30 FDEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474059 960643502 /nfs/dbraw/zinc/64/35/02/960643502.db2.gz JNYLOFSYLYYHRA-LONDADKYSA-N 1 3 357.498 1.234 20 30 FDEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474059 960643510 /nfs/dbraw/zinc/64/35/10/960643510.db2.gz JNYLOFSYLYYHRA-LONDADKYSA-N 1 3 357.498 1.234 20 30 FDEDHO CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCCC[NH3+])CC2)C[C@H]1C#N ZINC001172980215 961864642 /nfs/dbraw/zinc/86/46/42/961864642.db2.gz VIQIEKTWFGZOCL-SJORKVTESA-N 1 3 365.522 1.635 20 30 FDEDHO O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000852887257 967690555 /nfs/dbraw/zinc/69/05/55/967690555.db2.gz JLAXVGHZKCDMNW-FQEVSTJZSA-N 1 3 355.482 1.397 20 30 FDEDHO N#CCCCC[C@@H](N)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000848394147 976715600 /nfs/dbraw/zinc/71/56/00/976715600.db2.gz GZILAEQHWYGHKB-IAGOWNOFSA-N 1 3 358.442 1.945 20 30 FDEDHO C#CC[N@@H+](C)CCCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000296610069 989324849 /nfs/dbraw/zinc/32/48/49/989324849.db2.gz XCIBANPNDGLDRM-QGZVFWFLSA-N 1 3 357.502 1.861 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000296610069 989324860 /nfs/dbraw/zinc/32/48/60/989324860.db2.gz XCIBANPNDGLDRM-QGZVFWFLSA-N 1 3 357.502 1.861 20 30 FDEDHO C[C@H](C(=O)Nc1ccccc1C#N)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369295 991049276 /nfs/dbraw/zinc/04/92/76/991049276.db2.gz XZDLYDABSKDNED-VQIMIIECSA-N 1 3 369.513 1.986 20 30 FDEDHO C[C@H](O)[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H]([C@H](C)O)C3)c2)C1 ZINC000878393069 993938707 /nfs/dbraw/zinc/93/87/07/993938707.db2.gz ZVBGXCVTSKTWEA-SNHGZMDHSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@H](O)[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H]([C@H](C)O)C3)c2)C1 ZINC000878393069 993938711 /nfs/dbraw/zinc/93/87/11/993938711.db2.gz ZVBGXCVTSKTWEA-SNHGZMDHSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@H]([C@H](C)O)C3)c2)C1 ZINC000878393069 993938716 /nfs/dbraw/zinc/93/87/16/993938716.db2.gz ZVBGXCVTSKTWEA-SNHGZMDHSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@H]([C@H](C)O)C3)c2)C1 ZINC000878393069 993938721 /nfs/dbraw/zinc/93/87/21/993938721.db2.gz ZVBGXCVTSKTWEA-SNHGZMDHSA-N 1 3 357.498 1.964 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926255542 996000651 /nfs/dbraw/zinc/00/06/51/996000651.db2.gz RRSSFIBBRAWHAZ-WERVVEIQSA-N 1 3 361.530 1.318 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926255542 996000656 /nfs/dbraw/zinc/00/06/56/996000656.db2.gz RRSSFIBBRAWHAZ-WERVVEIQSA-N 1 3 361.530 1.318 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000930007473 1002730990 /nfs/dbraw/zinc/73/09/90/1002730990.db2.gz RMECYBMGVFIYMW-UHFFFAOYSA-N 1 3 362.518 1.276 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c(OC)cc(OC)cc1OC ZINC000304746165 1010476547 /nfs/dbraw/zinc/47/65/47/1010476547.db2.gz FQQHHMGYSCYDMO-AWEZNQCLSA-N 1 3 364.490 1.644 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000550834487 543183305 /nfs/dbraw/zinc/18/33/05/543183305.db2.gz KSUZOXKKRSTCLC-QZTJIDSGSA-N 1 3 364.534 1.354 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000553396145 543625995 /nfs/dbraw/zinc/62/59/95/543625995.db2.gz WLWMRODVWMOYRV-QGZVFWFLSA-N 1 3 364.534 1.524 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000553669151 543677761 /nfs/dbraw/zinc/67/77/61/543677761.db2.gz LEQYDCNIQBROPR-QGZVFWFLSA-N 1 3 364.534 1.237 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000553669151 543677763 /nfs/dbraw/zinc/67/77/63/543677763.db2.gz LEQYDCNIQBROPR-QGZVFWFLSA-N 1 3 364.534 1.237 20 30 FDEDHO CCN1CCN(CCCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083031839 524233542 /nfs/dbraw/zinc/23/35/42/524233542.db2.gz XAUWZYCHQDAPMG-SFHVURJKSA-N 1 3 359.518 1.832 20 30 FDEDHO C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158346696 524450284 /nfs/dbraw/zinc/45/02/84/524450284.db2.gz DPLCWPMUEAUNFS-RDJZCZTQSA-N 1 3 355.490 1.661 20 30 FDEDHO C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1CN(C)C(C)C ZINC000104162954 525397163 /nfs/dbraw/zinc/39/71/63/525397163.db2.gz LGKYLWRYJWMDRV-UHFFFAOYSA-N 1 3 361.534 1.524 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000563725981 546662398 /nfs/dbraw/zinc/66/23/98/546662398.db2.gz UYICUBASWFSLFT-SFHVURJKSA-N 1 3 362.518 1.230 20 30 FDEDHO C=CCn1cc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)nn1 ZINC000564352733 546889673 /nfs/dbraw/zinc/88/96/73/546889673.db2.gz TZYTWARCQBNEMA-UHFFFAOYSA-N 1 3 360.506 1.277 20 30 FDEDHO N#Cc1cccc(CN2CCC([NH2+]C[C@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000593323317 552089542 /nfs/dbraw/zinc/08/95/42/552089542.db2.gz UDHNNOZSLXJKBT-LJQANCHMSA-N 1 3 369.513 1.310 20 30 FDEDHO COC1CC[NH+](C2(CNC(=O)[C@H](N)CCCCC#N)CCCC2)CC1 ZINC000594439592 552310213 /nfs/dbraw/zinc/31/02/13/552310213.db2.gz XOISYARQHDYRRW-QGZVFWFLSA-N 1 3 350.507 1.937 20 30 FDEDHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598592470 552912654 /nfs/dbraw/zinc/91/26/54/552912654.db2.gz KKIDHLARGFCMQA-QGZVFWFLSA-N 1 3 366.550 1.703 20 30 FDEDHO CC(C)(C#N)C[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000598720635 552928089 /nfs/dbraw/zinc/92/80/89/552928089.db2.gz QHRGPJPSWFYUOT-OALUTQOASA-N 1 3 372.513 1.774 20 30 FDEDHO CC(C)(C#N)C[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000598720635 552928090 /nfs/dbraw/zinc/92/80/90/552928090.db2.gz QHRGPJPSWFYUOT-OALUTQOASA-N 1 3 372.513 1.774 20 30 FDEDHO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000598720635 552928091 /nfs/dbraw/zinc/92/80/91/552928091.db2.gz QHRGPJPSWFYUOT-OALUTQOASA-N 1 3 372.513 1.774 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599930015 553175599 /nfs/dbraw/zinc/17/55/99/553175599.db2.gz YHLPFIGGSLQOQD-GOSISDBHSA-N 1 3 355.486 1.916 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)cc1 ZINC000271943749 674398802 /nfs/dbraw/zinc/39/88/02/674398802.db2.gz MNWQEQLIKWAZDN-OAHLLOKOSA-N 1 3 352.504 1.369 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246932375 672520784 /nfs/dbraw/zinc/52/07/84/672520784.db2.gz HCWIFCSRMDIEES-HUUCEWRRSA-N 1 3 353.511 1.775 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCCCC1 ZINC000303783083 676543074 /nfs/dbraw/zinc/54/30/74/676543074.db2.gz NWEKLCLDWZQHAW-KRWDZBQOSA-N 1 3 351.539 1.410 20 30 FDEDHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329043948 676617357 /nfs/dbraw/zinc/61/73/57/676617357.db2.gz FGOWAPIYRGEEAL-JKSUJKDBSA-N 1 3 372.535 1.020 20 30 FDEDHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3cc(F)ccc3C#N)C2)CC[N@@H+]1C ZINC001026851840 799999633 /nfs/dbraw/zinc/99/96/33/799999633.db2.gz HOQQQOMMVDKKCV-ZRGWGRIASA-N 1 3 358.461 1.976 20 30 FDEDHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3cc(F)ccc3C#N)C2)CC[N@H+]1C ZINC001026851840 799999635 /nfs/dbraw/zinc/99/96/35/799999635.db2.gz HOQQQOMMVDKKCV-ZRGWGRIASA-N 1 3 358.461 1.976 20 30 FDEDHO C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CC[C@H](N2CCCCC2)C1 ZINC000262426082 811465502 /nfs/dbraw/zinc/46/55/02/811465502.db2.gz COLCNZITHNASQN-SFHVURJKSA-N 1 3 369.513 1.711 20 30 FDEDHO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCN3CCCC[C@@H]3C2)CCC[N@@H+]1C ZINC000329312899 824730785 /nfs/dbraw/zinc/73/07/85/824730785.db2.gz GPRSGQAJFCXVHK-YQVWRLOYSA-N 1 3 374.533 1.887 20 30 FDEDHO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCN3CCCC[C@@H]3C2)CCC[N@H+]1C ZINC000329312899 824730793 /nfs/dbraw/zinc/73/07/93/824730793.db2.gz GPRSGQAJFCXVHK-YQVWRLOYSA-N 1 3 374.533 1.887 20 30 FDEDHO C[NH+]=C(NCCc1cn2c(n1)CCCC2)N1CC[C@H](N2CCCCC2)C1 ZINC000262487688 827424860 /nfs/dbraw/zinc/42/48/60/827424860.db2.gz TWHVIKCRZPEBRW-SFHVURJKSA-N 1 3 358.534 1.898 20 30 FDEDHO O[C@@H]1CC[C@@H]2CN(CC#CC[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700356 830424380 /nfs/dbraw/zinc/42/43/80/830424380.db2.gz NSGGCHZGCCPGOQ-CGXUPHRESA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@@H]2CN(CC#CC[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700356 830424388 /nfs/dbraw/zinc/42/43/88/830424388.db2.gz NSGGCHZGCCPGOQ-CGXUPHRESA-N 1 3 360.542 1.956 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)C(C)C ZINC000842193378 845449621 /nfs/dbraw/zinc/44/96/21/845449621.db2.gz KPZKHJQXWWYEQV-ABHNRTSZSA-N 1 3 364.534 1.530 20 30 FDEDHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462499 848213313 /nfs/dbraw/zinc/21/33/13/848213313.db2.gz XEKFZYLLTPDGDS-SLFFLAALSA-N 1 3 352.482 1.933 20 30 FDEDHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462499 848213321 /nfs/dbraw/zinc/21/33/21/848213321.db2.gz XEKFZYLLTPDGDS-SLFFLAALSA-N 1 3 352.482 1.933 20 30 FDEDHO CN1CC[N@H+](C)CC(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000911922128 859112362 /nfs/dbraw/zinc/11/23/62/859112362.db2.gz RKUQVEAHEXNYAS-UHFFFAOYSA-N 1 3 369.513 1.132 20 30 FDEDHO CN1CC[N@@H+](C)CC(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000911922128 859112377 /nfs/dbraw/zinc/11/23/77/859112377.db2.gz RKUQVEAHEXNYAS-UHFFFAOYSA-N 1 3 369.513 1.132 20 30 FDEDHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC2(c3cccc(C#N)c3)CC2)C1 ZINC000271751816 869097683 /nfs/dbraw/zinc/09/76/83/869097683.db2.gz FWBKVGHPMTZAMQ-IBGZPJMESA-N 1 3 370.497 1.610 20 30 FDEDHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNC2(c3cccc(C#N)c3)CC2)C1 ZINC000271751816 869097685 /nfs/dbraw/zinc/09/76/85/869097685.db2.gz FWBKVGHPMTZAMQ-IBGZPJMESA-N 1 3 370.497 1.610 20 30 FDEDHO C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312602 874749139 /nfs/dbraw/zinc/74/91/39/874749139.db2.gz KKCXNRRVVFMTHF-KZNAEPCWSA-N 1 3 364.534 1.211 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189034 912226377 /nfs/dbraw/zinc/22/63/77/912226377.db2.gz GLJRRLXLDHHNTC-AYOQOUSVSA-N 1 3 370.497 1.988 20 30 FDEDHO COc1ccc(C#N)cc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189034 912226392 /nfs/dbraw/zinc/22/63/92/912226392.db2.gz GLJRRLXLDHHNTC-AYOQOUSVSA-N 1 3 370.497 1.988 20 30 FDEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004558 884997204 /nfs/dbraw/zinc/99/72/04/884997204.db2.gz TXMLLQXNMMGASQ-MKXGPGLRSA-N 1 3 374.533 1.706 20 30 FDEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004558 884997207 /nfs/dbraw/zinc/99/72/07/884997207.db2.gz TXMLLQXNMMGASQ-MKXGPGLRSA-N 1 3 374.533 1.706 20 30 FDEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708567 907034377 /nfs/dbraw/zinc/03/43/77/907034377.db2.gz MMZNBKAGMOTAGL-IYWMVGAKSA-N 1 3 357.498 1.459 20 30 FDEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708567 907034401 /nfs/dbraw/zinc/03/44/01/907034401.db2.gz MMZNBKAGMOTAGL-IYWMVGAKSA-N 1 3 357.498 1.459 20 30 FDEDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)cc1C#N ZINC001082562151 908635282 /nfs/dbraw/zinc/63/52/82/908635282.db2.gz SBADCYGFHRYWES-DNVCBOLYSA-N 1 3 370.497 1.988 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnn2C)CC1 ZINC001085432570 924678576 /nfs/dbraw/zinc/67/85/76/924678576.db2.gz FIZVKMSHJDUFRW-RTBURBONSA-N 1 3 357.502 1.282 20 30 FDEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047638 938646893 /nfs/dbraw/zinc/64/68/93/938646893.db2.gz LRRMHGXMBFINRN-MSOLQXFVSA-N 1 3 364.538 1.932 20 30 FDEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047824 938647214 /nfs/dbraw/zinc/64/72/14/938647214.db2.gz VMXDVDFTHANRMG-MSOLQXFVSA-N 1 3 362.522 1.708 20 30 FDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602523 939914168 /nfs/dbraw/zinc/91/41/68/939914168.db2.gz GDCPKNUDUHCPPZ-XYJFISCASA-N 1 3 365.497 1.560 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607639 939919320 /nfs/dbraw/zinc/91/93/20/939919320.db2.gz GQZTXMBGKOUWQU-QXAKKESOSA-N 1 3 359.518 1.611 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090872040 947466349 /nfs/dbraw/zinc/46/63/49/947466349.db2.gz CDBVBUSJFQKBNG-GEALJGNFSA-N 1 3 355.482 1.553 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090872040 947466355 /nfs/dbraw/zinc/46/63/55/947466355.db2.gz CDBVBUSJFQKBNG-GEALJGNFSA-N 1 3 355.482 1.553 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccc(OC)cc1 ZINC001090884423 947641581 /nfs/dbraw/zinc/64/15/81/947641581.db2.gz QAQCCQGWELYHKQ-RBUKOAKNSA-N 1 3 353.466 1.308 20 30 FDEDHO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090884813 947649924 /nfs/dbraw/zinc/64/99/24/947649924.db2.gz MIKKUDAVYPIVKG-LEWJYISDSA-N 1 3 369.509 1.944 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086992992 953025625 /nfs/dbraw/zinc/02/56/25/953025625.db2.gz AOHGDUJVWJSMAM-NZSAHSFTSA-N 1 3 357.502 1.059 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086992992 953025627 /nfs/dbraw/zinc/02/56/27/953025627.db2.gz AOHGDUJVWJSMAM-NZSAHSFTSA-N 1 3 357.502 1.059 20 30 FDEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868802 953620875 /nfs/dbraw/zinc/62/08/75/953620875.db2.gz WFFWRADLQBDQMJ-DPJRVOCYSA-N 1 3 359.514 1.596 20 30 FDEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868802 953620884 /nfs/dbraw/zinc/62/08/84/953620884.db2.gz WFFWRADLQBDQMJ-DPJRVOCYSA-N 1 3 359.514 1.596 20 30 FDEDHO C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CN1Cc1ccccc1 ZINC000884228758 983002854 /nfs/dbraw/zinc/00/28/54/983002854.db2.gz YLMDXVUYQDVRTQ-OPTGKZCPSA-N 1 3 352.482 1.905 20 30 FDEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(OC)c(C#N)c3)C2)CC[N@@H+]1C ZINC000968738179 1015595259 /nfs/dbraw/zinc/59/52/59/1015595259.db2.gz QBSGRZTWMLOJBJ-CEXWTWQISA-N 1 3 370.497 1.988 20 30 FDEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(OC)c(C#N)c3)C2)CC[N@H+]1C ZINC000968738179 1015595267 /nfs/dbraw/zinc/59/52/67/1015595267.db2.gz QBSGRZTWMLOJBJ-CEXWTWQISA-N 1 3 370.497 1.988 20 30 FDEDHO C#Cc1ccc(NC(=O)CCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000930137269 1002861827 /nfs/dbraw/zinc/86/18/27/1002861827.db2.gz QVURRWFAKWXBOS-WIYYLYMNSA-N 1 3 368.525 1.954 20 30 FDEDHO CN1CCC([NH+]2CCC(NC[C@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000530231369 539915141 /nfs/dbraw/zinc/91/51/41/539915141.db2.gz PXFKLUMCKVYGKK-FQEVSTJZSA-N 1 3 372.513 1.446 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000559833026 544812693 /nfs/dbraw/zinc/81/26/93/544812693.db2.gz ICQRESSMSOWGSY-KRWDZBQOSA-N 1 3 364.534 1.524 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000559833026 544812697 /nfs/dbraw/zinc/81/26/97/544812697.db2.gz ICQRESSMSOWGSY-KRWDZBQOSA-N 1 3 364.534 1.524 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000110674664 524119870 /nfs/dbraw/zinc/11/98/70/524119870.db2.gz NIGIADQGYVFCLO-UHFFFAOYSA-N 1 3 370.497 1.806 20 30 FDEDHO CN1CCCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160680925 524946760 /nfs/dbraw/zinc/94/67/60/524946760.db2.gz QSBMITBPFODGEA-UHFFFAOYSA-N 1 3 359.396 1.949 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1 ZINC000104165624 525396994 /nfs/dbraw/zinc/39/69/94/525396994.db2.gz KTEGXERPUJDBPA-GOSISDBHSA-N 1 3 357.502 1.698 20 30 FDEDHO COc1ccc(NC(=[NH2+])NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000104167709 525398012 /nfs/dbraw/zinc/39/80/12/525398012.db2.gz HTSDJQRVJYDDBO-GOSISDBHSA-N 1 3 354.454 1.841 20 30 FDEDHO C=C(C)CN1CCC(NC(NC[C@H]2CCc3nnc(C)n3C2)=[NH+]C)CC1 ZINC000262830913 536913258 /nfs/dbraw/zinc/91/32/58/536913258.db2.gz ZYJGVDISZLEVJC-MRXNPFEDSA-N 1 3 359.522 1.354 20 30 FDEDHO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H](O)CN1CCCCC1 ZINC000266995244 536945937 /nfs/dbraw/zinc/94/59/37/536945937.db2.gz XFBLSAUMBHPMNF-OAHLLOKOSA-N 1 3 358.408 1.957 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997976 537598856 /nfs/dbraw/zinc/59/88/56/537598856.db2.gz AQEGLZWOELPQGL-RTBURBONSA-N 1 3 371.529 1.466 20 30 FDEDHO CN1CCN(CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000567806414 548266788 /nfs/dbraw/zinc/26/67/88/548266788.db2.gz FDYBXVCJXXUZDY-SFHVURJKSA-N 1 3 359.474 1.272 20 30 FDEDHO N#CCCCC[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000594450043 552312803 /nfs/dbraw/zinc/31/28/03/552312803.db2.gz RJHMSKOSHCYKIW-KRWDZBQOSA-N 1 3 372.517 1.994 20 30 FDEDHO CC(C)(C#N)C[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000598720634 552927890 /nfs/dbraw/zinc/92/78/90/552927890.db2.gz QHRGPJPSWFYUOT-MOPGFXCFSA-N 1 3 372.513 1.774 20 30 FDEDHO CC(C)(C#N)C[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000598720634 552927892 /nfs/dbraw/zinc/92/78/92/552927892.db2.gz QHRGPJPSWFYUOT-MOPGFXCFSA-N 1 3 372.513 1.774 20 30 FDEDHO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000598720634 552927894 /nfs/dbraw/zinc/92/78/94/552927894.db2.gz QHRGPJPSWFYUOT-MOPGFXCFSA-N 1 3 372.513 1.774 20 30 FDEDHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000600724680 553307438 /nfs/dbraw/zinc/30/74/38/553307438.db2.gz HDHAXOMILGNOFQ-MJGOQNOKSA-N 1 3 358.486 1.056 20 30 FDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000619612606 555809058 /nfs/dbraw/zinc/80/90/58/555809058.db2.gz LGSYFMUPKMXRIR-UHFFFAOYSA-N 1 3 354.458 1.309 20 30 FDEDHO CC[NH+]=C(NCC(C)(C)N1CCC[C@@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000103893785 671593281 /nfs/dbraw/zinc/59/32/81/671593281.db2.gz GYOGWTZAQVXDBA-MRXNPFEDSA-N 1 3 351.539 1.627 20 30 FDEDHO CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[C@H](N2CCCCC2)C1 ZINC000262434946 672789146 /nfs/dbraw/zinc/78/91/46/672789146.db2.gz FZVTZFMQFKRTEU-ROUUACIJSA-N 1 3 351.539 1.233 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000660597624 800696133 /nfs/dbraw/zinc/69/61/33/800696133.db2.gz SEVUUKKDLOHHJO-SFHVURJKSA-N 1 3 350.507 1.579 20 30 FDEDHO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261931061 811347237 /nfs/dbraw/zinc/34/72/37/811347237.db2.gz BJIIUCFFADJUOR-CRAIPNDOSA-N 1 3 369.517 1.969 20 30 FDEDHO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261950656 811351735 /nfs/dbraw/zinc/35/17/35/811351735.db2.gz HFULITKRKZSQSN-QFBILLFUSA-N 1 3 371.529 1.465 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480979221 845995938 /nfs/dbraw/zinc/99/59/38/845995938.db2.gz LOKIPFHJJLFDFR-IXDOHACOSA-N 1 3 364.534 1.236 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480979221 845995945 /nfs/dbraw/zinc/99/59/45/845995945.db2.gz LOKIPFHJJLFDFR-IXDOHACOSA-N 1 3 364.534 1.236 20 30 FDEDHO C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666860 876478921 /nfs/dbraw/zinc/47/89/21/876478921.db2.gz XKKRTNNCKACKSS-UMVBOHGHSA-N 1 3 358.324 1.921 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626538 878843877 /nfs/dbraw/zinc/84/38/77/878843877.db2.gz BWCXIIUKGIBIMS-SOAMZJECSA-N 1 3 364.534 1.111 20 30 FDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626538 878843892 /nfs/dbraw/zinc/84/38/92/878843892.db2.gz BWCXIIUKGIBIMS-SOAMZJECSA-N 1 3 364.534 1.111 20 30 FDEDHO 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372.513 1.446 20 30 FDEDHO CN(C)CCOc1ccc(CC[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000552413299 543463708 /nfs/dbraw/zinc/46/37/08/543463708.db2.gz VIAYCLNXRPOKCD-UHFFFAOYSA-N 1 3 364.453 1.874 20 30 FDEDHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000092799855 524918091 /nfs/dbraw/zinc/91/80/91/524918091.db2.gz AUMAKIDIANJVOY-ROUUACIJSA-N 1 3 364.534 1.960 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1CN1CCOCC1 ZINC000104156847 525397521 /nfs/dbraw/zinc/39/75/21/525397521.db2.gz OGOFDFQYMYSJBW-IBGZPJMESA-N 1 3 359.518 1.407 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000180873077 525767879 /nfs/dbraw/zinc/76/78/79/525767879.db2.gz VYVITKKOPRVWIJ-OAQYLSRUSA-N 1 3 369.509 1.605 20 30 FDEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000180873077 525767889 /nfs/dbraw/zinc/76/78/89/525767889.db2.gz VYVITKKOPRVWIJ-OAQYLSRUSA-N 1 3 369.509 1.605 20 30 FDEDHO CN(C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375833849 537778832 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793827566 /nfs/dbraw/zinc/82/75/66/793827566.db2.gz KUMNSQDTEVOJGK-IXDOHACOSA-N 1 3 352.523 1.093 20 30 FDEDHO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104939003 794489613 /nfs/dbraw/zinc/48/96/13/794489613.db2.gz GFMBWSPJUSAWSF-BRWVUGGUSA-N 1 3 352.523 1.093 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)CC1 ZINC001105060655 795103033 /nfs/dbraw/zinc/10/30/33/795103033.db2.gz OVVXZSIHYSHUBP-IEBWSBKVSA-N 1 3 371.529 1.340 20 30 FDEDHO C[C@@]1(CNC(=[NH2+])NCCCN2CCOCC2)CCCN1Cc1ccccc1 ZINC000162456782 795346910 /nfs/dbraw/zinc/34/69/10/795346910.db2.gz UTTGRTNWEUPUTJ-NRFANRHFSA-N 1 3 373.545 1.668 20 30 FDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000419566812 812021881 /nfs/dbraw/zinc/02/18/81/812021881.db2.gz GZKKHMABBCTBCG-YLJYHZDGSA-N 1 3 362.518 1.013 20 30 FDEDHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cccc(C#N)c4)C[C@H]3C2)C1 ZINC001088199452 827430377 /nfs/dbraw/zinc/43/03/77/827430377.db2.gz 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COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720127 809246403 /nfs/dbraw/zinc/24/64/03/809246403.db2.gz ATBSRGQPDRGOHF-HSALFYBXSA-N 1 3 355.482 1.172 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCCCO3)[C@@H]2CC)CC1 ZINC001087840175 822559193 /nfs/dbraw/zinc/55/91/93/822559193.db2.gz KWBOIEWUAKVITG-SLFFLAALSA-N 1 3 361.530 1.870 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)[C@@H]2CC)CC1 ZINC001087840175 822559195 /nfs/dbraw/zinc/55/91/95/822559195.db2.gz KWBOIEWUAKVITG-SLFFLAALSA-N 1 3 361.530 1.870 20 30 FDEDHO CC(=O)N1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H](C)C1 ZINC000330087718 825627442 /nfs/dbraw/zinc/62/74/42/825627442.db2.gz NMENWTSWBFMRSG-OAHLLOKOSA-N 1 3 365.522 1.012 20 30 FDEDHO C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000262452569 826979589 /nfs/dbraw/zinc/97/95/89/826979589.db2.gz KCBRXGVSDYDBHV-KRWDZBQOSA-N 1 3 361.465 1.900 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000453668962 830998341 /nfs/dbraw/zinc/99/83/41/830998341.db2.gz YGKCJYQDGNGWTF-IBGZPJMESA-N 1 3 370.497 1.941 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000264065582 838333358 /nfs/dbraw/zinc/33/33/58/838333358.db2.gz BAGVOLAZYZJPJM-SJORKVTESA-N 1 3 359.518 1.910 20 30 FDEDHO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)N(C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642338 842306315 /nfs/dbraw/zinc/30/63/15/842306315.db2.gz IVFUSFYFDMNFIN-WIRSXHRWSA-N 1 3 363.546 1.706 20 30 FDEDHO C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105641868 842307153 /nfs/dbraw/zinc/30/71/53/842307153.db2.gz FJMOTEDJLSBQGO-VIPLHTEESA-N 1 3 351.535 1.869 20 30 FDEDHO C#CCN(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCN(C)CC1 ZINC000919412013 885698711 /nfs/dbraw/zinc/69/87/11/885698711.db2.gz GKBJBKDBRGVLBN-KRWDZBQOSA-N 1 3 362.518 1.226 20 30 FDEDHO C#CCN1CCC(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000068268486 889077961 /nfs/dbraw/zinc/07/79/61/889077961.db2.gz FXBOUPFWTUZPAA-UHFFFAOYSA-N 1 3 356.470 1.861 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000670894914 890519402 /nfs/dbraw/zinc/51/94/02/890519402.db2.gz DNMBDNXCNIQRTE-UHFFFAOYSA-N 1 3 362.518 1.276 20 30 FDEDHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000265794707 893183990 /nfs/dbraw/zinc/18/39/90/893183990.db2.gz XQVYNZQTEMBTSC-IBGZPJMESA-N 1 3 373.501 1.352 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cccc(F)c1 ZINC001079183678 902126775 /nfs/dbraw/zinc/12/67/75/902126775.db2.gz ODJQEQQNZBGAPB-SLFFLAALSA-N 1 3 355.457 1.685 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270465 902329792 /nfs/dbraw/zinc/32/97/92/902329792.db2.gz SWHLIMBSNNQQJM-CEXWTWQISA-N 1 3 359.514 1.291 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270465 902329808 /nfs/dbraw/zinc/32/98/08/902329808.db2.gz SWHLIMBSNNQQJM-CEXWTWQISA-N 1 3 359.514 1.291 20 30 FDEDHO CC#CCN1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079242444 902337817 /nfs/dbraw/zinc/33/78/17/902337817.db2.gz YURKCKZLVYMMAN-SLFFLAALSA-N 1 3 371.525 1.291 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377532 905283673 /nfs/dbraw/zinc/28/36/73/905283673.db2.gz WXSWGAWHGNAXPR-OXQOHEQNSA-N 1 3 370.497 1.867 20 30 FDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150959 907262019 /nfs/dbraw/zinc/26/20/19/907262019.db2.gz MSRFNORVHRTINZ-LZWWZHRGSA-N 1 3 365.477 1.067 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130609888 939907493 /nfs/dbraw/zinc/90/74/93/939907493.db2.gz BHXBMCDZPGCLGF-FUHWJXTLSA-N 1 3 359.518 1.755 20 30 FDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130603102 939915008 /nfs/dbraw/zinc/91/50/08/939915008.db2.gz YRDKMPCDGMLHBO-XYJFISCASA-N 1 3 363.481 1.007 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131073782 940490281 /nfs/dbraw/zinc/49/02/81/940490281.db2.gz OKBDFAMHPIMJCT-KURKYZTESA-N 1 3 359.518 1.448 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1cncn1C ZINC001131099844 940499598 /nfs/dbraw/zinc/49/95/98/940499598.db2.gz XPJOPHIIWMGDKH-RTBURBONSA-N 1 3 371.529 1.448 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000914 953053036 /nfs/dbraw/zinc/05/30/36/953053036.db2.gz VCMRVKKKPDUJFO-OTWHNJEPSA-N 1 3 357.502 1.200 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000914 953053047 /nfs/dbraw/zinc/05/30/47/953053047.db2.gz VCMRVKKKPDUJFO-OTWHNJEPSA-N 1 3 357.502 1.200 20 30 FDEDHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273854 954657808 /nfs/dbraw/zinc/65/78/08/954657808.db2.gz UHYOYFOTLNKRHM-SBHAEUEKSA-N 1 3 352.482 1.790 20 30 FDEDHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273854 954657814 /nfs/dbraw/zinc/65/78/14/954657814.db2.gz UHYOYFOTLNKRHM-SBHAEUEKSA-N 1 3 352.482 1.790 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133140 957617895 /nfs/dbraw/zinc/61/78/95/957617895.db2.gz SGZSMKASCMOQNI-HUUCEWRRSA-N 1 3 358.511 1.900 20 30 FDEDHO COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001093673183 958516373 /nfs/dbraw/zinc/51/63/73/958516373.db2.gz KQZDXSVSKZVWKW-ATZDWAIDSA-N 1 3 370.497 1.845 20 30 FDEDHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1cc(F)ccc1C#N ZINC001094169785 959962909 /nfs/dbraw/zinc/96/29/09/959962909.db2.gz VEBYCNJOCSFDHO-CRAIPNDOSA-N 1 3 370.472 1.977 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000876740274 992857431 /nfs/dbraw/zinc/85/74/31/992857431.db2.gz KGGMTDKPKOJPGT-OAHLLOKOSA-N 1 3 352.866 1.064 20 30 FDEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000876896669 992957209 /nfs/dbraw/zinc/95/72/09/992957209.db2.gz KLSNHCFZRGFDGD-IAGOWNOFSA-N 1 3 351.878 1.864 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405530 999554335 /nfs/dbraw/zinc/55/43/35/999554335.db2.gz GNQZTYYPASNKFS-ROUUACIJSA-N 1 3 357.502 1.424 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCN1C(=O)c2ccccc2C1=O ZINC000284956814 999887543 /nfs/dbraw/zinc/88/75/43/999887543.db2.gz FDHDGBDLWZRDKB-CQSZACIVSA-N 1 3 357.458 1.061 20 30 FDEDHO C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000303903371 1009685488 /nfs/dbraw/zinc/68/54/88/1009685488.db2.gz UJRJRMSYMZKRFT-HZPDHXFCSA-N 1 3 367.538 1.974 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000553395532 543625855 /nfs/dbraw/zinc/62/58/55/543625855.db2.gz KROHLZARAUWREM-AEFFLSMTSA-N 1 3 364.534 1.474 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000553395532 543625858 /nfs/dbraw/zinc/62/58/58/543625858.db2.gz KROHLZARAUWREM-AEFFLSMTSA-N 1 3 364.534 1.474 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000553735418 543688363 /nfs/dbraw/zinc/68/83/63/543688363.db2.gz SORXIODIPNDUEY-MRXNPFEDSA-N 1 3 364.534 1.332 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000555674723 544002321 /nfs/dbraw/zinc/00/23/21/544002321.db2.gz QBYBVBDPYGSOLZ-UHFFFAOYSA-N 1 3 350.507 1.132 20 30 FDEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000173373719 524377361 /nfs/dbraw/zinc/37/73/61/524377361.db2.gz DSDXBJNSNPNAEL-INIZCTEOSA-N 1 3 361.494 1.677 20 30 FDEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000173373719 524377369 /nfs/dbraw/zinc/37/73/69/524377369.db2.gz DSDXBJNSNPNAEL-INIZCTEOSA-N 1 3 361.494 1.677 20 30 FDEDHO C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158346561 524450694 /nfs/dbraw/zinc/45/06/94/524450694.db2.gz DPLCWPMUEAUNFS-WBVHZDCISA-N 1 3 355.490 1.661 20 30 FDEDHO COc1ccccc1CNC(=[NH2+])NCc1ccccc1CN1CC[C@H](O)C1 ZINC000180454895 525710331 /nfs/dbraw/zinc/71/03/31/525710331.db2.gz GSNBZOZTOHQJFJ-IBGZPJMESA-N 1 3 368.481 1.866 20 30 FDEDHO CN(C)CCOc1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)ccn1 ZINC000134550696 526163864 /nfs/dbraw/zinc/16/38/64/526163864.db2.gz KTJCYOKUISUCHS-KRWDZBQOSA-N 1 3 369.469 1.950 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000562871909 546301622 /nfs/dbraw/zinc/30/16/22/546301622.db2.gz UKEITHCUFOVQJN-UHFFFAOYSA-N 1 3 362.518 1.134 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000572550423 549940410 /nfs/dbraw/zinc/94/04/10/549940410.db2.gz IWZCWJOPAOYZFF-UHFFFAOYSA-N 1 3 364.534 1.333 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000579389058 550868558 /nfs/dbraw/zinc/86/85/58/550868558.db2.gz XMKXCZFETACVFM-AEFFLSMTSA-N 1 3 364.534 1.332 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000579389058 550868559 /nfs/dbraw/zinc/86/85/59/550868559.db2.gz XMKXCZFETACVFM-AEFFLSMTSA-N 1 3 364.534 1.332 20 30 FDEDHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000591736736 551904783 /nfs/dbraw/zinc/90/47/83/551904783.db2.gz MUFRPFVJXJAELE-MJGOQNOKSA-N 1 3 358.486 1.056 20 30 FDEDHO COC1CC[NH+](C2(CNC(=O)[C@@H](N)CCCCC#N)CCCC2)CC1 ZINC000594439591 552310717 /nfs/dbraw/zinc/31/07/17/552310717.db2.gz XOISYARQHDYRRW-KRWDZBQOSA-N 1 3 350.507 1.937 20 30 FDEDHO N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCOCC1 ZINC000600736832 553309088 /nfs/dbraw/zinc/30/90/88/553309088.db2.gz SWMUYUXVFJXBQA-PMACEKPBSA-N 1 3 373.497 1.414 20 30 FDEDHO C[NH+]=C(NC[C@@H]1CCCN(C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261968292 672704323 /nfs/dbraw/zinc/70/43/23/672704323.db2.gz MAJKXKWNAQYNAS-HNNXBMFYSA-N 1 3 358.552 1.191 20 30 FDEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261989624 672707677 /nfs/dbraw/zinc/70/76/77/672707677.db2.gz QZYBBZUXCVUAPJ-GOSISDBHSA-N 1 3 350.507 1.319 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532264492 694870183 /nfs/dbraw/zinc/87/01/83/694870183.db2.gz YZGUULQFGCLNED-MSOLQXFVSA-N 1 3 350.507 1.314 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000892851370 791454349 /nfs/dbraw/zinc/45/43/49/791454349.db2.gz ILSBRQITXXDYPV-ROUUACIJSA-N 1 3 350.507 1.268 20 30 FDEDHO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]2C)C1=O ZINC001104937848 794475924 /nfs/dbraw/zinc/47/59/24/794475924.db2.gz JLSFSVKOPLWULK-KZNAEPCWSA-N 1 3 364.534 1.189 20 30 FDEDHO C=CCNC(=O)[C@@H](C)N1CCC2(CC[N@@H+]([C@H](C)C(=O)NCC=C)C2)CC1 ZINC000364080266 795135964 /nfs/dbraw/zinc/13/59/64/795135964.db2.gz FKLRZAFQHGBFKS-IAGOWNOFSA-N 1 3 362.518 1.156 20 30 FDEDHO C=CCNC(=O)[C@@H](C)N1CCC2(CC[N@H+]([C@H](C)C(=O)NCC=C)C2)CC1 ZINC000364080266 795135970 /nfs/dbraw/zinc/13/59/70/795135970.db2.gz FKLRZAFQHGBFKS-IAGOWNOFSA-N 1 3 362.518 1.156 20 30 FDEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000424139823 815316732 /nfs/dbraw/zinc/31/67/32/815316732.db2.gz FMWQROCZYPVWJB-KRWDZBQOSA-N 1 3 357.458 1.472 20 30 FDEDHO C=CCCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420214462 813559693 /nfs/dbraw/zinc/55/96/93/813559693.db2.gz ZZPNHBMABRFDCD-UHFFFAOYSA-N 1 3 358.486 1.131 20 30 FDEDHO C=CCOCCN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157892 820102913 /nfs/dbraw/zinc/10/29/13/820102913.db2.gz IEMBEJPFMNNBLU-HUUCEWRRSA-N 1 3 363.424 1.510 20 30 FDEDHO COC[C@@H]1C[C@H](OC)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329140296 824624079 /nfs/dbraw/zinc/62/40/79/824624079.db2.gz SWVWPIRBULUBPM-ROUUACIJSA-N 1 3 368.522 1.195 20 30 FDEDHO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637622 842272609 /nfs/dbraw/zinc/27/26/09/842272609.db2.gz STTLYDMMCJTHRY-QCFAMHMHSA-N 1 3 361.530 1.460 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105657374 842494400 /nfs/dbraw/zinc/49/44/00/842494400.db2.gz YNPMQTNDMUMVRI-IZBJGVDFSA-N 1 3 360.502 1.885 20 30 FDEDHO CN(C)CC#CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000913523789 862289612 /nfs/dbraw/zinc/28/96/12/862289612.db2.gz MOSWSIAQWLUPKH-IAGOWNOFSA-N 1 3 367.415 1.978 20 30 FDEDHO CN(C)CC#CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000913523789 862289620 /nfs/dbraw/zinc/28/96/20/862289620.db2.gz MOSWSIAQWLUPKH-IAGOWNOFSA-N 1 3 367.415 1.978 20 30 FDEDHO C=C(C)CNCc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128106955 896958386 /nfs/dbraw/zinc/95/83/86/896958386.db2.gz JUSUWEMAMWEOJX-NZSAHSFTSA-N 1 3 371.529 1.782 20 30 FDEDHO C=C(C)CNCc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128106955 896958390 /nfs/dbraw/zinc/95/83/90/896958390.db2.gz JUSUWEMAMWEOJX-NZSAHSFTSA-N 1 3 371.529 1.782 20 30 FDEDHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(CC#CCOC)CC3)CC[N@@H+]1C ZINC001107413645 904818216 /nfs/dbraw/zinc/81/82/16/904818216.db2.gz JQMIKQVNUKCDFD-QEUVDIPISA-N 1 3 361.530 1.727 20 30 FDEDHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(CC#CCOC)CC3)CC[N@H+]1C ZINC001107413645 904818230 /nfs/dbraw/zinc/81/82/30/904818230.db2.gz JQMIKQVNUKCDFD-QEUVDIPISA-N 1 3 361.530 1.727 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)CC1 ZINC001107643568 906218704 /nfs/dbraw/zinc/21/87/04/906218704.db2.gz NNISLYUYSAZHNY-IFMALSPDSA-N 1 3 371.525 1.342 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC#CCOC)CC3)CC1 ZINC001107643568 906218722 /nfs/dbraw/zinc/21/87/22/906218722.db2.gz NNISLYUYSAZHNY-IFMALSPDSA-N 1 3 371.525 1.342 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCOC)CC3)CC1 ZINC001107643619 906220491 /nfs/dbraw/zinc/22/04/91/906220491.db2.gz OQYVPVDDHCWGLK-TZIWHRDSSA-N 1 3 361.530 1.729 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCOC)CC3)CC1 ZINC001107643619 906220516 /nfs/dbraw/zinc/22/05/16/906220516.db2.gz OQYVPVDDHCWGLK-TZIWHRDSSA-N 1 3 361.530 1.729 20 30 FDEDHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082862050 910526726 /nfs/dbraw/zinc/52/67/26/910526726.db2.gz WWDLQAHZMOHZEU-SIXWZSSISA-N 1 3 358.461 1.976 20 30 FDEDHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccc(C#N)cc1F ZINC001082862050 910526738 /nfs/dbraw/zinc/52/67/38/910526738.db2.gz WWDLQAHZMOHZEU-SIXWZSSISA-N 1 3 358.461 1.976 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2c2ccccc2)CC1 ZINC001086625040 938509058 /nfs/dbraw/zinc/50/90/58/938509058.db2.gz HUELZLARBLXGNA-JRGCBEDISA-N 1 3 369.509 1.297 20 30 FDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2c2ccccc2)CC1 ZINC001086625040 938509059 /nfs/dbraw/zinc/50/90/59/938509059.db2.gz HUELZLARBLXGNA-JRGCBEDISA-N 1 3 369.509 1.297 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130662459 939967778 /nfs/dbraw/zinc/96/77/78/939967778.db2.gz ZCBVAQKNZYCCST-QXAKKESOSA-N 1 3 361.534 1.857 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672355 939971493 /nfs/dbraw/zinc/97/14/93/939971493.db2.gz OIBRTAMPNRECRO-ZIFCJYIRSA-N 1 3 359.518 1.612 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cncn1C ZINC001131038504 940466903 /nfs/dbraw/zinc/46/69/03/940466903.db2.gz VQANQIBAHIHZNH-QZTJIDSGSA-N 1 3 371.529 1.592 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070305 940484480 /nfs/dbraw/zinc/48/44/80/940484480.db2.gz ONGJEJZFRYHMFC-KZNAEPCWSA-N 1 3 359.518 1.755 20 30 FDEDHO CC#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131133044 940512724 /nfs/dbraw/zinc/51/27/24/940512724.db2.gz ZIDHVWLFLWAKGE-GGPKGHCWSA-N 1 3 371.529 1.448 20 30 FDEDHO C#CCNC(=O)CC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604110 971249742 /nfs/dbraw/zinc/24/97/42/971249742.db2.gz JJBWKVMWRYJQQQ-IBGZPJMESA-N 1 3 358.486 1.514 20 30 FDEDHO C#CCNC(=O)CC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604110 971249755 /nfs/dbraw/zinc/24/97/55/971249755.db2.gz JJBWKVMWRYJQQQ-IBGZPJMESA-N 1 3 358.486 1.514 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880912 947597926 /nfs/dbraw/zinc/59/79/26/947597926.db2.gz QAJBHTRRLXFHTC-LSTHTHJFSA-N 1 3 355.482 1.697 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880912 947597934 /nfs/dbraw/zinc/59/79/34/947597934.db2.gz QAJBHTRRLXFHTC-LSTHTHJFSA-N 1 3 355.482 1.697 20 30 FDEDHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772981441 952409973 /nfs/dbraw/zinc/40/99/73/952409973.db2.gz DFORHVLKEBSVAV-SMXHQDLGSA-N 1 3 364.490 1.239 20 30 FDEDHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772981441 952409975 /nfs/dbraw/zinc/40/99/75/952409975.db2.gz DFORHVLKEBSVAV-SMXHQDLGSA-N 1 3 364.490 1.239 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087004352 953062344 /nfs/dbraw/zinc/06/23/44/953062344.db2.gz UJEFBNVFDWLAMF-RBUKOAKNSA-N 1 3 357.502 1.058 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193951 957753349 /nfs/dbraw/zinc/75/33/49/957753349.db2.gz QYTPIQWSCGNSFJ-QGPMSJSTSA-N 1 3 358.461 1.833 20 30 FDEDHO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193951 957753356 /nfs/dbraw/zinc/75/33/56/957753356.db2.gz QYTPIQWSCGNSFJ-QGPMSJSTSA-N 1 3 358.461 1.833 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2C)CC1 ZINC001093223912 957854518 /nfs/dbraw/zinc/85/45/18/957854518.db2.gz JGXBZWZZJKYSEF-QWFCFKBJSA-N 1 3 361.530 1.442 20 30 FDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2C)CC1 ZINC001093223912 957854525 /nfs/dbraw/zinc/85/45/25/957854525.db2.gz JGXBZWZZJKYSEF-QWFCFKBJSA-N 1 3 361.530 1.442 20 30 FDEDHO CC#CCNC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201453627 975067560 /nfs/dbraw/zinc/06/75/60/975067560.db2.gz CSKPOIRSPLBTJH-NJYVYQBISA-N 1 3 369.509 1.562 20 30 FDEDHO CC#CCNC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201453627 975067567 /nfs/dbraw/zinc/06/75/67/975067567.db2.gz CSKPOIRSPLBTJH-NJYVYQBISA-N 1 3 369.509 1.562 20 30 FDEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(CN3CCC(O)CC3)c1)C2 ZINC000884190331 982966445 /nfs/dbraw/zinc/96/64/45/982966445.db2.gz AXCHUFWETLKPSJ-BQIYRTECSA-N 1 3 368.481 1.721 20 30 FDEDHO C[C@@H]1C[NH+](CCCNC(=O)[C@H]2NCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000876716779 992825690 /nfs/dbraw/zinc/82/56/90/992825690.db2.gz NCCSZKZFRRLFBW-CLCXKQKWSA-N 1 3 356.470 1.361 20 30 FDEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000876762648 992886277 /nfs/dbraw/zinc/88/62/77/992886277.db2.gz GHXFJDJWOXCVQH-MRXNPFEDSA-N 1 3 364.877 1.921 20 30 FDEDHO C[C@@H](O)[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393070 993938763 /nfs/dbraw/zinc/93/87/63/993938763.db2.gz ZVBGXCVTSKTWEA-VAKZPMALSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H](O)[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393070 993938765 /nfs/dbraw/zinc/93/87/65/993938765.db2.gz ZVBGXCVTSKTWEA-VAKZPMALSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393070 993938769 /nfs/dbraw/zinc/93/87/69/993938769.db2.gz ZVBGXCVTSKTWEA-VAKZPMALSA-N 1 3 357.498 1.964 20 30 FDEDHO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393070 993938774 /nfs/dbraw/zinc/93/87/74/993938774.db2.gz ZVBGXCVTSKTWEA-VAKZPMALSA-N 1 3 357.498 1.964 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(=O)N(C)C)c1 ZINC000264081753 997398672 /nfs/dbraw/zinc/39/86/72/997398672.db2.gz IUDNNVQYMYCGMS-INIZCTEOSA-N 1 3 361.490 1.042 20 30 FDEDHO COC[C@@H](C)NC(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000264111675 997403857 /nfs/dbraw/zinc/40/38/57/997403857.db2.gz QYMNWSVKKREIEY-GOSISDBHSA-N 1 3 361.534 1.524 20 30 FDEDHO C#CCN1CCC(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000264210591 997429199 /nfs/dbraw/zinc/42/91/99/997429199.db2.gz IYSZNNNIJJLFBX-UHFFFAOYSA-N 1 3 357.498 1.631 20 30 FDEDHO CC(C)N(CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)C ZINC000089120010 1006010431 /nfs/dbraw/zinc/01/04/31/1006010431.db2.gz NEYXUBODFPWKDF-INIZCTEOSA-N 1 3 367.538 1.986 20 30 FDEDHO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000530233625 539916390 /nfs/dbraw/zinc/91/63/90/539916390.db2.gz ZDHLXDGKAGQHBB-AABGKKOBSA-N 1 3 373.497 1.655 20 30 FDEDHO C=CCN1C(=O)c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2C1=O ZINC000530880615 540061379 /nfs/dbraw/zinc/06/13/79/540061379.db2.gz DABJRGCBNDBHBQ-UHFFFAOYSA-N 1 3 372.469 1.034 20 30 FDEDHO COc1cc(C#N)ccc1OCCN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126483374 173042827 /nfs/dbraw/zinc/04/28/27/173042827.db2.gz YVUJJVCOELKKRT-UHFFFAOYSA-N 1 3 360.502 1.903 20 30 FDEDHO N#Cc1ccc(OC[C@@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173953409 258315479 /nfs/dbraw/zinc/31/54/79/258315479.db2.gz VVAQKJLYSZFDMR-IBGZPJMESA-N 1 3 373.497 1.875 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000104180138 525397361 /nfs/dbraw/zinc/39/73/61/525397361.db2.gz KPTOUOJGRWOTMJ-YLJYHZDGSA-N 1 3 373.545 1.796 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)cc1OC ZINC000104156569 525397951 /nfs/dbraw/zinc/39/79/51/525397951.db2.gz GSERMEFRFWXNPX-AWEZNQCLSA-N 1 3 350.463 1.601 20 30 FDEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418795471 537769567 /nfs/dbraw/zinc/76/95/67/537769567.db2.gz SAHDFXUUSCTSSX-SFHVURJKSA-N 1 3 359.474 1.010 20 30 FDEDHO CN1CCN(CCCNC(=O)[C@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000565713670 547452104 /nfs/dbraw/zinc/45/21/04/547452104.db2.gz JFUAOWITKHCHLL-RTBURBONSA-N 1 3 357.502 1.503 20 30 FDEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580183184 550951930 /nfs/dbraw/zinc/95/19/30/550951930.db2.gz WXIRSVUHXYBMOO-MRXNPFEDSA-N 1 3 364.515 1.971 20 30 FDEDHO C[C@@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580183184 550951932 /nfs/dbraw/zinc/95/19/32/550951932.db2.gz WXIRSVUHXYBMOO-MRXNPFEDSA-N 1 3 364.515 1.971 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000598451065 552896760 /nfs/dbraw/zinc/89/67/60/552896760.db2.gz MTYYJMXJFOXTHU-MJGOQNOKSA-N 1 3 352.438 1.298 20 30 FDEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000598451065 552896762 /nfs/dbraw/zinc/89/67/62/552896762.db2.gz MTYYJMXJFOXTHU-MJGOQNOKSA-N 1 3 352.438 1.298 20 30 FDEDHO CN(C)CCOc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600722120 553306926 /nfs/dbraw/zinc/30/69/26/553306926.db2.gz GGHQIQFJQSMFGC-GOSISDBHSA-N 1 3 361.486 1.788 20 30 FDEDHO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262794518 672850233 /nfs/dbraw/zinc/85/02/33/672850233.db2.gz OXEMPFJODLBRQB-FUHWJXTLSA-N 1 3 351.564 1.335 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000267462451 673306672 /nfs/dbraw/zinc/30/66/72/673306672.db2.gz VNPZXCKLVZVKSH-RHSMWYFYSA-N 1 3 350.463 1.126 20 30 FDEDHO CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)N1CCOCC1 ZINC000303790338 676542959 /nfs/dbraw/zinc/54/29/59/676542959.db2.gz WBWJMVGDCKAXNH-ROUUACIJSA-N 1 3 353.555 1.512 20 30 FDEDHO [NH2+]=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCSCC1 ZINC000303869361 676543343 /nfs/dbraw/zinc/54/33/43/676543343.db2.gz AVBTUPRMAAUGEQ-UHFFFAOYSA-N 1 3 361.559 1.558 20 30 FDEDHO COCCN(C)CCOc1cccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000303981570 676543952 /nfs/dbraw/zinc/54/39/52/676543952.db2.gz PGYJAECIMTZXFQ-UHFFFAOYSA-N 1 3 366.531 1.507 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)CC1 ZINC000328841965 676609156 /nfs/dbraw/zinc/60/91/56/676609156.db2.gz PXFFAGFADYWLLF-QZTJIDSGSA-N 1 3 350.507 1.616 20 30 FDEDHO CO[C@@H]1CCC[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329279626 676630499 /nfs/dbraw/zinc/63/04/99/676630499.db2.gz JYHSIYRANVYSPP-CRAIPNDOSA-N 1 3 352.523 1.864 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000378424618 678746819 /nfs/dbraw/zinc/74/68/19/678746819.db2.gz FGAVGXCBRLYRJL-MOPGFXCFSA-N 1 3 350.551 1.759 20 30 FDEDHO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000378424618 678746821 /nfs/dbraw/zinc/74/68/21/678746821.db2.gz FGAVGXCBRLYRJL-MOPGFXCFSA-N 1 3 350.551 1.759 20 30 FDEDHO C=CCN1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000520708272 690350026 /nfs/dbraw/zinc/35/00/26/690350026.db2.gz MAZOFKAXQZTXQO-UHFFFAOYSA-N 1 3 350.507 1.581 20 30 FDEDHO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 ZINC000524765963 828444388 /nfs/dbraw/zinc/44/43/88/828444388.db2.gz BWBBPPFSXOYLJJ-UHFFFAOYSA-N 1 3 374.485 1.462 20 30 FDEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000895667058 822694648 /nfs/dbraw/zinc/69/46/48/822694648.db2.gz XNPNCVVOXSDSHS-INIZCTEOSA-N 1 3 366.506 1.306 20 30 FDEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000895667058 822694649 /nfs/dbraw/zinc/69/46/49/822694649.db2.gz XNPNCVVOXSDSHS-INIZCTEOSA-N 1 3 366.506 1.306 20 30 FDEDHO CN1CC[NH+](CC2CCN(C([O-])=[NH+][C@@H]3CCc4nc[nH]c4C3)CC2)CC1 ZINC000329582223 824901760 /nfs/dbraw/zinc/90/17/60/824901760.db2.gz AKEVNPXESRUXSA-MRXNPFEDSA-N 1 3 360.506 1.140 20 30 FDEDHO CN1CC[NH+](CC2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]cnc4C3)CC2)CC1 ZINC000329582223 824901765 /nfs/dbraw/zinc/90/17/65/824901765.db2.gz AKEVNPXESRUXSA-MRXNPFEDSA-N 1 3 360.506 1.140 20 30 FDEDHO O[C@@H]1CC[C@@H]2C[N@H+](CC#CCN3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700357 830424705 /nfs/dbraw/zinc/42/47/05/830424705.db2.gz NSGGCHZGCCPGOQ-DRGMGAIOSA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@@H]2C[N@@H+](CC#CCN3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700357 830424709 /nfs/dbraw/zinc/42/47/09/830424709.db2.gz NSGGCHZGCCPGOQ-DRGMGAIOSA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@@H]2CN(CC#CC[N@@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700357 830424713 /nfs/dbraw/zinc/42/47/13/830424713.db2.gz NSGGCHZGCCPGOQ-DRGMGAIOSA-N 1 3 360.542 1.956 20 30 FDEDHO O[C@@H]1CC[C@@H]2CN(CC#CC[N@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700357 830424718 /nfs/dbraw/zinc/42/47/18/830424718.db2.gz NSGGCHZGCCPGOQ-DRGMGAIOSA-N 1 3 360.542 1.956 20 30 FDEDHO CCOCCC[NH+]=C(NC[C@H](C)CN1CCN(C)CC1)NC(C)(C)C ZINC000912499681 859826501 /nfs/dbraw/zinc/82/65/01/859826501.db2.gz YBPZTKQPVNTFKS-KRWDZBQOSA-N 1 3 355.571 1.630 20 30 FDEDHO C=CCC[C@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084307 885707264 /nfs/dbraw/zinc/70/72/64/885707264.db2.gz HFFFRQLTOGOIPB-BBWFWOEESA-N 1 3 362.522 1.705 20 30 FDEDHO C=CCC[C@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084307 885707280 /nfs/dbraw/zinc/70/72/80/885707280.db2.gz HFFFRQLTOGOIPB-BBWFWOEESA-N 1 3 362.522 1.705 20 30 FDEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129084307 885707293 /nfs/dbraw/zinc/70/72/93/885707293.db2.gz HFFFRQLTOGOIPB-BBWFWOEESA-N 1 3 362.522 1.705 20 30 FDEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)[C@@H](n2ccnn2)C1 ZINC001129084307 885707306 /nfs/dbraw/zinc/70/73/06/885707306.db2.gz HFFFRQLTOGOIPB-BBWFWOEESA-N 1 3 362.522 1.705 20 30 FDEDHO C#CCN[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1c1ccccc1 ZINC001081195531 907374796 /nfs/dbraw/zinc/37/47/96/907374796.db2.gz FTRSSWAHOSHNJL-VQTJNVASSA-N 1 3 365.481 1.276 20 30 FDEDHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082559851 908613507 /nfs/dbraw/zinc/61/35/07/908613507.db2.gz QWAISDTUUOGUBE-YSGRDPCXSA-N 1 3 370.497 1.866 20 30 FDEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084943172 918610273 /nfs/dbraw/zinc/61/02/73/918610273.db2.gz LEQOXAIDOGNYGF-LMCOJAPRSA-N 1 3 361.530 1.842 20 30 FDEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084942212 918638496 /nfs/dbraw/zinc/63/84/96/918638496.db2.gz IICGSTOSOFPQEF-PBASOCQRSA-N 1 3 373.541 1.679 20 30 FDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734275255 923155957 /nfs/dbraw/zinc/15/59/57/923155957.db2.gz KVARAEOEHUMXCS-GOSISDBHSA-N 1 3 350.507 1.579 20 30 FDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131012077 940443500 /nfs/dbraw/zinc/44/35/00/940443500.db2.gz ADRLSWXTPQAIEN-LMMKCTJWSA-N 1 3 361.534 1.857 20 30 FDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131012133 940443689 /nfs/dbraw/zinc/44/36/89/940443689.db2.gz CNGWZUOPEDPWMN-LMMKCTJWSA-N 1 3 361.534 1.857 20 30 FDEDHO C#CC[N@@H+](C)CCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000818589291 943296399 /nfs/dbraw/zinc/29/63/99/943296399.db2.gz VPYMTXDYUHOMAB-UHFFFAOYSA-N 1 3 356.514 1.902 20 30 FDEDHO C#CC[N@H+](C)CCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000818589291 943296408 /nfs/dbraw/zinc/29/64/08/943296408.db2.gz VPYMTXDYUHOMAB-UHFFFAOYSA-N 1 3 356.514 1.902 20 30 FDEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735091 952754095 /nfs/dbraw/zinc/75/40/95/952754095.db2.gz IXSYZPDEUUWWLC-QFUCXCTJSA-N 1 3 359.514 1.433 20 30 FDEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735091 952754096 /nfs/dbraw/zinc/75/40/96/952754096.db2.gz IXSYZPDEUUWWLC-QFUCXCTJSA-N 1 3 359.514 1.433 20 30 FDEDHO COc1ccc(C#N)cc1CN1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193555 957751070 /nfs/dbraw/zinc/75/10/70/957751070.db2.gz JUMNWHGAEBBDSR-SZVBFZGTSA-N 1 3 370.497 1.703 20 30 FDEDHO COc1ccc(C#N)cc1CN1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193555 957751078 /nfs/dbraw/zinc/75/10/78/957751078.db2.gz JUMNWHGAEBBDSR-SZVBFZGTSA-N 1 3 370.497 1.703 20 30 FDEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)CC1 ZINC001094240133 960159587 /nfs/dbraw/zinc/15/95/87/960159587.db2.gz QRHZFIPFNJNRID-VQIMIIECSA-N 1 3 371.529 1.258 20 30 FDEDHO COc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C#N ZINC000853881770 968395821 /nfs/dbraw/zinc/39/58/21/968395821.db2.gz HZBAACYGKDHEME-HNNXBMFYSA-N 1 3 361.490 1.638 20 30 FDEDHO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C#N ZINC000853881770 968395825 /nfs/dbraw/zinc/39/58/25/968395825.db2.gz HZBAACYGKDHEME-HNNXBMFYSA-N 1 3 361.490 1.638 20 30 FDEDHO CC#CCNC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201453626 975067319 /nfs/dbraw/zinc/06/73/19/975067319.db2.gz CSKPOIRSPLBTJH-HBMCJLEFSA-N 1 3 369.509 1.562 20 30 FDEDHO CC#CCNC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201453626 975067322 /nfs/dbraw/zinc/06/73/22/975067322.db2.gz CSKPOIRSPLBTJH-HBMCJLEFSA-N 1 3 369.509 1.562 20 30 FDEDHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C#N)cn3)CC2)CC1 ZINC000848079676 976312397 /nfs/dbraw/zinc/31/23/97/976312397.db2.gz LLTCYJNOBGPAAZ-UHFFFAOYSA-N 1 3 355.486 1.766 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000849081900 977307264 /nfs/dbraw/zinc/30/72/64/977307264.db2.gz PQNYPYYEWFGVPR-KFWWJZLASA-N 1 3 364.494 1.344 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000369403567 989050296 /nfs/dbraw/zinc/05/02/96/989050296.db2.gz VTDVQRXCUGMMSJ-BHIYHBOVSA-N 1 3 364.534 1.825 20 30 FDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000369403567 989050310 /nfs/dbraw/zinc/05/03/10/989050310.db2.gz VTDVQRXCUGMMSJ-BHIYHBOVSA-N 1 3 364.534 1.825 20 30 FDEDHO C[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000363667894 989383185 /nfs/dbraw/zinc/38/31/85/989383185.db2.gz AASIOEPKLSELPQ-PXNSSMCTSA-N 1 3 372.513 1.398 20 30 FDEDHO C[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000363667894 989383193 /nfs/dbraw/zinc/38/31/93/989383193.db2.gz AASIOEPKLSELPQ-PXNSSMCTSA-N 1 3 372.513 1.398 20 30 FDEDHO CCN1CC[NH+](CCCCNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876782518 992910374 /nfs/dbraw/zinc/91/03/74/992910374.db2.gz WNWJVAXXNPSYEH-HXUWFJFHSA-N 1 3 369.513 1.279 20 30 FDEDHO CN1CCN(C2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000879594207 995064522 /nfs/dbraw/zinc/06/45/22/995064522.db2.gz BFQCTBBSOWFNGI-LJQANCHMSA-N 1 3 358.486 1.010 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC000284210924 999780342 /nfs/dbraw/zinc/78/03/42/999780342.db2.gz WSHRFVPNVVVTCU-ROUUACIJSA-N 1 3 364.534 1.211 20 30 FDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000284210924 999780343 /nfs/dbraw/zinc/78/03/43/999780343.db2.gz WSHRFVPNVVVTCU-ROUUACIJSA-N 1 3 364.534 1.211 20 30 FDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCN1C(=O)c2ccccc2C1=O ZINC000284956810 999887593 /nfs/dbraw/zinc/88/75/93/999887593.db2.gz FDHDGBDLWZRDKB-AWEZNQCLSA-N 1 3 357.458 1.061 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000557733218 544337970 /nfs/dbraw/zinc/33/79/70/544337970.db2.gz QSUAMDZRWNLILW-AYHJJNSGSA-N 1 3 362.518 1.275 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000557733218 544337972 /nfs/dbraw/zinc/33/79/72/544337972.db2.gz QSUAMDZRWNLILW-AYHJJNSGSA-N 1 3 362.518 1.275 20 30 FDEDHO C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374258251 261101264 /nfs/dbraw/zinc/10/12/64/261101264.db2.gz JKDIINNZEPDPHS-QGZVFWFLSA-N 1 3 369.513 1.987 20 30 FDEDHO C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374258251 261101265 /nfs/dbraw/zinc/10/12/65/261101265.db2.gz JKDIINNZEPDPHS-QGZVFWFLSA-N 1 3 369.513 1.987 20 30 FDEDHO C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374258251 261101266 /nfs/dbraw/zinc/10/12/66/261101266.db2.gz JKDIINNZEPDPHS-QGZVFWFLSA-N 1 3 369.513 1.987 20 30 FDEDHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3cccc(C#N)c3)CC2)CC1 ZINC000375645464 261389643 /nfs/dbraw/zinc/38/96/43/261389643.db2.gz SPANWXXPFBFISI-UHFFFAOYSA-N 1 3 369.513 1.959 20 30 FDEDHO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158532413 524485296 /nfs/dbraw/zinc/48/52/96/524485296.db2.gz NOSFGZRLWVNVOW-MAUKXSAKSA-N 1 3 369.517 1.969 20 30 FDEDHO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158532560 524486062 /nfs/dbraw/zinc/48/60/62/524486062.db2.gz NOSFGZRLWVNVOW-YJBOKZPZSA-N 1 3 369.517 1.969 20 30 FDEDHO COc1ccccc1CNC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000134551263 526164396 /nfs/dbraw/zinc/16/43/96/526164396.db2.gz IYIVCVZHRNDJCA-UHFFFAOYSA-N 1 3 357.458 1.635 20 30 FDEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000185685952 536215257 /nfs/dbraw/zinc/21/52/57/536215257.db2.gz RBDNYNSAYLMLRO-KRWDZBQOSA-N 1 3 351.539 1.352 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000561451043 545856778 /nfs/dbraw/zinc/85/67/78/545856778.db2.gz ZYZZKWVROKOQSJ-NVXWUHKLSA-N 1 3 350.507 1.084 20 30 FDEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000561451043 545856780 /nfs/dbraw/zinc/85/67/80/545856780.db2.gz ZYZZKWVROKOQSJ-NVXWUHKLSA-N 1 3 350.507 1.084 20 30 FDEDHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)CC2)C[C@H](C)O1 ZINC000568090194 548394177 /nfs/dbraw/zinc/39/41/77/548394177.db2.gz WYLRBRMFOYENGN-JZXOWHBKSA-N 1 3 372.517 1.618 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000577227538 550634638 /nfs/dbraw/zinc/63/46/38/550634638.db2.gz KMCWQUBHNQTSDS-GOSISDBHSA-N 1 3 364.534 1.380 20 30 FDEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000577227538 550634640 /nfs/dbraw/zinc/63/46/40/550634640.db2.gz KMCWQUBHNQTSDS-GOSISDBHSA-N 1 3 364.534 1.380 20 30 FDEDHO CN1CCN(CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439716 552310820 /nfs/dbraw/zinc/31/08/20/552310820.db2.gz UNCOPWORDADFLJ-UXHICEINSA-N 1 3 371.529 1.893 20 30 FDEDHO N#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091100 552654286 /nfs/dbraw/zinc/65/42/86/552654286.db2.gz HVZQMYXOMJGMSW-HOTGVXAUSA-N 1 3 352.486 2.250 20 30 FDEDHO N#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091100 552654288 /nfs/dbraw/zinc/65/42/88/552654288.db2.gz HVZQMYXOMJGMSW-HOTGVXAUSA-N 1 3 352.486 2.250 20 30 FDEDHO CN(C)CCOc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000600722661 553307094 /nfs/dbraw/zinc/30/70/94/553307094.db2.gz KCXIIEIERQWEMI-SFHVURJKSA-N 1 3 361.486 1.788 20 30 FDEDHO C=C(C)C[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000601781810 553474643 /nfs/dbraw/zinc/47/46/43/553474643.db2.gz MDMVQPBAQZJNNT-GOSISDBHSA-N 1 3 365.518 1.807 20 30 FDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNc1nccc(C(F)(F)F)n1 ZINC000267442231 673304516 /nfs/dbraw/zinc/30/45/16/673304516.db2.gz PFWRKBDNSQUHCH-LLVKDONJSA-N 1 3 359.400 1.296 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000329223901 676626466 /nfs/dbraw/zinc/62/64/66/676626466.db2.gz YTMHDQSKONNJEC-DJSILETISA-N 1 3 350.507 1.899 20 30 FDEDHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000329223901 676626470 /nfs/dbraw/zinc/62/64/70/676626470.db2.gz YTMHDQSKONNJEC-DJSILETISA-N 1 3 350.507 1.899 20 30 FDEDHO