smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)CC2)C1=O ZINC001164644654 719282478 /nfs/dbraw/zinc/28/24/78/719282478.db2.gz OJJOJKIZOKKMCW-UHFFFAOYSA-N 1 2 467.570 2.064 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)CC2)C1=O ZINC001164644654 719282485 /nfs/dbraw/zinc/28/24/85/719282485.db2.gz OJJOJKIZOKKMCW-UHFFFAOYSA-N 1 2 467.570 2.064 20 0 JEADLO CN1c2cnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2N2CCC[C@H]2C1=O ZINC001164673403 719511056 /nfs/dbraw/zinc/51/10/56/719511056.db2.gz SHFHRPDXDUJJOC-FQEVSTJZSA-N 1 2 466.561 2.432 20 0 JEADLO CN1c2cnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2N2CCC[C@H]2C1=O ZINC001164673403 719511070 /nfs/dbraw/zinc/51/10/70/719511070.db2.gz SHFHRPDXDUJJOC-FQEVSTJZSA-N 1 2 466.561 2.432 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2Cc1ccccc1F ZINC001164703093 719859519 /nfs/dbraw/zinc/85/95/19/719859519.db2.gz OPNYIOJUJVFWRQ-UUOWRZLLSA-N 1 2 468.533 2.246 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)cc2OC)nn1 ZINC001164699900 719872740 /nfs/dbraw/zinc/87/27/40/719872740.db2.gz CSMDHBZHIZMGCS-OSPHWJPCSA-N 1 2 456.543 2.394 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(N(C)Cc2ccc(OC)cc2)n1 ZINC001164705748 719876001 /nfs/dbraw/zinc/87/60/01/719876001.db2.gz OLGDSWLGPNNBOO-NLFFAJNJSA-N 1 2 469.586 2.354 20 0 JEADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708355 719903033 /nfs/dbraw/zinc/90/30/33/719903033.db2.gz AIFOEIUMKNAZBF-UHFFFAOYSA-N 1 2 495.609 2.066 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164708405 719910737 /nfs/dbraw/zinc/91/07/37/719910737.db2.gz CNJAZVNAUUIVMV-UHFFFAOYSA-N 1 2 481.988 2.393 20 0 JEADLO CCOC(=O)c1ccc2nc(Cl)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164709161 719921116 /nfs/dbraw/zinc/92/11/16/719921116.db2.gz ZXUDBJPPBIYRGC-UHFFFAOYSA-N 1 2 497.987 2.144 20 0 JEADLO CCOC(=O)c1sc2nc(C)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1C ZINC001164708644 719922606 /nfs/dbraw/zinc/92/26/06/719922606.db2.gz OIPDJIVJAMUDTD-UHFFFAOYSA-N 1 2 497.625 2.169 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001164708324 719937780 /nfs/dbraw/zinc/93/77/80/719937780.db2.gz JAMBFEKZOVOOFL-UHFFFAOYSA-N 1 2 475.327 2.497 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164708815 719937870 /nfs/dbraw/zinc/93/78/70/719937870.db2.gz SBYJAAMREUMKDD-UHFFFAOYSA-N 1 2 497.934 2.056 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164704831 720048038 /nfs/dbraw/zinc/04/80/38/720048038.db2.gz UBZZHDQUXWGDIM-UHFFFAOYSA-N 1 2 451.962 2.481 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164714783 720049841 /nfs/dbraw/zinc/04/98/41/720049841.db2.gz RFVDSIRZMAYKDH-UHFFFAOYSA-N 1 2 496.975 2.054 20 0 JEADLO COC[C@@H]1CC2(CN1Cc1cccc[nH+]1)CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CC2 ZINC001164716266 720108666 /nfs/dbraw/zinc/10/86/66/720108666.db2.gz JWAHDEWCPVKOEF-SFHVURJKSA-N 1 2 470.599 2.264 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164720574 720237052 /nfs/dbraw/zinc/23/70/52/720237052.db2.gz YKSVEOMKWNEBPE-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164720574 720237057 /nfs/dbraw/zinc/23/70/57/720237057.db2.gz YKSVEOMKWNEBPE-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719822 720240304 /nfs/dbraw/zinc/24/03/04/720240304.db2.gz PHNSLOKKUKLEBQ-HSZRJFAPSA-N 1 2 473.599 2.047 20 0 JEADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719822 720240310 /nfs/dbraw/zinc/24/03/10/720240310.db2.gz PHNSLOKKUKLEBQ-HSZRJFAPSA-N 1 2 473.599 2.047 20 0 JEADLO CCOC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(Cl)n1 ZINC001164721861 720278043 /nfs/dbraw/zinc/27/80/43/720278043.db2.gz MHRKCMDMIIQPNL-HXUWFJFHSA-N 1 2 474.936 2.121 20 0 JEADLO CCOC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(Cl)n1 ZINC001164721861 720278050 /nfs/dbraw/zinc/27/80/50/720278050.db2.gz MHRKCMDMIIQPNL-HXUWFJFHSA-N 1 2 474.936 2.121 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C2)C1 ZINC001164723284 720288821 /nfs/dbraw/zinc/28/88/21/720288821.db2.gz VZTPKRMFCRYMHO-QHCPKHFHSA-N 1 2 464.010 2.026 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C2)C1 ZINC001164723284 720288828 /nfs/dbraw/zinc/28/88/28/720288828.db2.gz VZTPKRMFCRYMHO-QHCPKHFHSA-N 1 2 464.010 2.026 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)nnc(Cl)c3N3CCCCC3)C2)C1 ZINC001164724605 720311885 /nfs/dbraw/zinc/31/18/85/720311885.db2.gz RYKVNMMZTYPMAR-OAQYLSRUSA-N 1 2 471.433 2.439 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)nnc(Cl)c3N3CCCCC3)C2)C1 ZINC001164724605 720311891 /nfs/dbraw/zinc/31/18/91/720311891.db2.gz RYKVNMMZTYPMAR-OAQYLSRUSA-N 1 2 471.433 2.439 20 0 JEADLO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823999 720368469 /nfs/dbraw/zinc/36/84/69/720368469.db2.gz GLTRUQPCIIIWAE-UHFFFAOYSA-N 1 2 479.006 2.385 20 0 JEADLO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823999 720368474 /nfs/dbraw/zinc/36/84/74/720368474.db2.gz GLTRUQPCIIIWAE-UHFFFAOYSA-N 1 2 479.006 2.385 20 0 JEADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164821025 720370341 /nfs/dbraw/zinc/37/03/41/720370341.db2.gz WDKXNKRDSCRQNQ-UHFFFAOYSA-N 1 2 457.600 2.265 20 0 JEADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164821025 720370346 /nfs/dbraw/zinc/37/03/46/720370346.db2.gz WDKXNKRDSCRQNQ-UHFFFAOYSA-N 1 2 457.600 2.265 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164819701 720370784 /nfs/dbraw/zinc/37/07/84/720370784.db2.gz GMNDXOIGJVEDLZ-UHFFFAOYSA-N 1 2 450.012 2.274 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164819701 720370793 /nfs/dbraw/zinc/37/07/93/720370793.db2.gz GMNDXOIGJVEDLZ-UHFFFAOYSA-N 1 2 450.012 2.274 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4[C@@H](C)CC(=O)N5)CC3)C2=O)cs1 ZINC001164820931 720370809 /nfs/dbraw/zinc/37/08/09/720370809.db2.gz UTPWKBMRLYLAJY-AWEZNQCLSA-N 1 2 455.588 2.000 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4[C@@H](C)CC(=O)N5)CC3)C2=O)cs1 ZINC001164820931 720370817 /nfs/dbraw/zinc/37/08/17/720370817.db2.gz UTPWKBMRLYLAJY-AWEZNQCLSA-N 1 2 455.588 2.000 20 0 JEADLO COC(=O)CSc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164821158 720376589 /nfs/dbraw/zinc/37/65/89/720376589.db2.gz YFOPFXJIYBWFKE-UHFFFAOYSA-N 1 2 475.640 2.425 20 0 JEADLO COC(=O)CSc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164821158 720376596 /nfs/dbraw/zinc/37/65/96/720376596.db2.gz YFOPFXJIYBWFKE-UHFFFAOYSA-N 1 2 475.640 2.425 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C(N)=O)cc5ccccc54)CC3)C2=O)cs1 ZINC001164819510 720380373 /nfs/dbraw/zinc/38/03/73/720380373.db2.gz FIUPTXWQAQNXCE-UHFFFAOYSA-N 1 2 464.595 2.412 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C(N)=O)cc5ccccc54)CC3)C2=O)cs1 ZINC001164819510 720380382 /nfs/dbraw/zinc/38/03/82/720380382.db2.gz FIUPTXWQAQNXCE-UHFFFAOYSA-N 1 2 464.595 2.412 20 0 JEADLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc2c1ccn2C ZINC001164825213 720383902 /nfs/dbraw/zinc/38/39/02/720383902.db2.gz UQJRPAPWWRDPDR-UHFFFAOYSA-N 1 2 455.588 2.055 20 0 JEADLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc2c1ccn2C ZINC001164825213 720383904 /nfs/dbraw/zinc/38/39/04/720383904.db2.gz UQJRPAPWWRDPDR-UHFFFAOYSA-N 1 2 455.588 2.055 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001164823435 720436910 /nfs/dbraw/zinc/43/69/10/720436910.db2.gz JSUGXGAXKMUNNG-IBGZPJMESA-N 1 2 457.575 2.223 20 0 JEADLO COc1ccc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164824619 720450157 /nfs/dbraw/zinc/45/01/57/720450157.db2.gz OFRBNWLJMXDWPD-OAHLLOKOSA-N 1 2 471.936 2.475 20 0 JEADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164825157 720450213 /nfs/dbraw/zinc/45/02/13/720450213.db2.gz QIIPJEWDWINUTI-HNNXBMFYSA-N 1 2 499.946 2.253 20 0 JEADLO COc1cc2nc(C)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2cc1OC ZINC001164824059 720452828 /nfs/dbraw/zinc/45/28/28/720452828.db2.gz LOMDCRZXBQMIAC-SFHVURJKSA-N 1 2 482.585 2.142 20 0 JEADLO COc1ccc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1Cl ZINC001164832330 720457853 /nfs/dbraw/zinc/45/78/53/720457853.db2.gz UNWKUYPFSFGSJJ-OAHLLOKOSA-N 1 2 471.936 2.475 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3nc1N1CCCC1)C2 ZINC001164832305 720469421 /nfs/dbraw/zinc/46/94/21/720469421.db2.gz TUEYZVQAVPWZKQ-FQEVSTJZSA-N 1 2 477.613 2.416 20 0 JEADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829847 720471495 /nfs/dbraw/zinc/47/14/95/720471495.db2.gz HGPZFTGNMXUVDD-HNNXBMFYSA-N 1 2 499.946 2.253 20 0 JEADLO COc1ccccc1-c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830829 720472217 /nfs/dbraw/zinc/47/22/17/720472217.db2.gz MOFHXZAIPBWQQG-LJQANCHMSA-N 1 2 464.570 2.338 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccccc3F)nn1)C2 ZINC001164829284 720474511 /nfs/dbraw/zinc/47/45/11/720474511.db2.gz FGAFPWSJCDDCMV-SFHVURJKSA-N 1 2 452.534 2.469 20 0 JEADLO COc1ccc(OC)c(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)c1 ZINC001164832688 720475612 /nfs/dbraw/zinc/47/56/12/720475612.db2.gz VSGJEEQJCGRYOJ-LJQANCHMSA-N 1 2 494.596 2.347 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(N3CCCCCC3)n1)C2 ZINC001164833081 720476854 /nfs/dbraw/zinc/47/68/54/720476854.db2.gz YHMOGFHSNIRUPQ-FQEVSTJZSA-N 1 2 455.607 2.043 20 0 JEADLO O=C(N[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]2COC[C@@H]12)C1CCC1 ZINC001164850647 720802278 /nfs/dbraw/zinc/80/22/78/720802278.db2.gz VQTOLXBQMKXKMF-ISJGIBHGSA-N 1 2 489.620 2.160 20 0 JEADLO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21)c1ccno1 ZINC001164861831 720905920 /nfs/dbraw/zinc/90/59/20/720905920.db2.gz UOZAPMOOGWQHTN-SKPFHBQLSA-N 1 2 474.565 2.294 20 0 JEADLO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21)c1ccno1 ZINC001164861831 720905923 /nfs/dbraw/zinc/90/59/23/720905923.db2.gz UOZAPMOOGWQHTN-SKPFHBQLSA-N 1 2 474.565 2.294 20 0 JEADLO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]12 ZINC001164757577 720988465 /nfs/dbraw/zinc/98/84/65/720988465.db2.gz PELYUNHTCRQUCH-QTEQDKRBSA-N 1 2 450.587 2.147 20 0 JEADLO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]12 ZINC001164757577 720988483 /nfs/dbraw/zinc/98/84/83/720988483.db2.gz PELYUNHTCRQUCH-QTEQDKRBSA-N 1 2 450.587 2.147 20 0 JEADLO CNC(=O)[C@]12CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164867525 721202783 /nfs/dbraw/zinc/20/27/83/721202783.db2.gz GSASEKRXLSKXJO-WNCULLNHSA-N 1 2 484.608 2.046 20 0 JEADLO CNC(=O)[C@]12CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164867525 721202786 /nfs/dbraw/zinc/20/27/86/721202786.db2.gz GSASEKRXLSKXJO-WNCULLNHSA-N 1 2 484.608 2.046 20 0 JEADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001164869024 721220217 /nfs/dbraw/zinc/22/02/17/721220217.db2.gz AGOJQBSOZVDYNW-UHFFFAOYSA-N 1 2 473.933 2.198 20 0 JEADLO Cc1ccc(N2CCO[C@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)nn1 ZINC001164776130 721311623 /nfs/dbraw/zinc/31/16/23/721311623.db2.gz LMZGIKVEQILUEB-DQEYMECFSA-N 1 2 499.619 2.232 20 0 JEADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782928 721363916 /nfs/dbraw/zinc/36/39/16/721363916.db2.gz NNMDAPJPPCGMBK-OHWKKVTOSA-N 1 2 491.614 2.115 20 0 JEADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782928 721363923 /nfs/dbraw/zinc/36/39/23/721363923.db2.gz NNMDAPJPPCGMBK-OHWKKVTOSA-N 1 2 491.614 2.115 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001165015554 721765221 /nfs/dbraw/zinc/76/52/21/721765221.db2.gz QYQBZYJDMFRJLW-UHFFFAOYSA-N 1 2 453.856 2.342 20 0 JEADLO O=C(c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2)N1CCCCC1 ZINC001164911374 721770358 /nfs/dbraw/zinc/77/03/58/721770358.db2.gz GNZFWZUXTARKSB-VWLOTQADSA-N 1 2 451.571 2.211 20 0 JEADLO O=C(c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)N1CCCCC1 ZINC001164911374 721770361 /nfs/dbraw/zinc/77/03/61/721770361.db2.gz GNZFWZUXTARKSB-VWLOTQADSA-N 1 2 451.571 2.211 20 0 JEADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915183 721791268 /nfs/dbraw/zinc/79/12/68/721791268.db2.gz JNNFEIIXKRHISS-SFHVURJKSA-N 1 2 457.934 2.466 20 0 JEADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915183 721791270 /nfs/dbraw/zinc/79/12/70/721791270.db2.gz JNNFEIIXKRHISS-SFHVURJKSA-N 1 2 457.934 2.466 20 0 JEADLO CC1CCN(C(=O)c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)CC1 ZINC001164913213 721793670 /nfs/dbraw/zinc/79/36/70/721793670.db2.gz BGLRQPLPQLDDSF-SANMLTNESA-N 1 2 465.598 2.457 20 0 JEADLO CC1CCN(C(=O)c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)CC1 ZINC001164913213 721793677 /nfs/dbraw/zinc/79/36/77/721793677.db2.gz BGLRQPLPQLDDSF-SANMLTNESA-N 1 2 465.598 2.457 20 0 JEADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914523 721795170 /nfs/dbraw/zinc/79/51/70/721795170.db2.gz ONSSGDYMDWDOEB-RDPSFJRHSA-N 1 2 489.642 2.051 20 0 JEADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914523 721795172 /nfs/dbraw/zinc/79/51/72/721795172.db2.gz ONSSGDYMDWDOEB-RDPSFJRHSA-N 1 2 489.642 2.051 20 0 JEADLO Clc1nnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1N1CCOCC1 ZINC001164914388 721801937 /nfs/dbraw/zinc/80/19/37/721801937.db2.gz MTKXJGHKDIQOFD-QFIPXVFZSA-N 1 2 495.411 2.123 20 0 JEADLO Clc1nnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1N1CCOCC1 ZINC001164914388 721801938 /nfs/dbraw/zinc/80/19/38/721801938.db2.gz MTKXJGHKDIQOFD-QFIPXVFZSA-N 1 2 495.411 2.123 20 0 JEADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(-c5cc6c([nH]5)CCNC6=O)cc[nH+]4)CCO3)C2)cs1 ZINC001164922129 721827078 /nfs/dbraw/zinc/82/70/78/721827078.db2.gz DKDKRYGMZMFQMM-RUZDIDTESA-N 1 2 494.621 2.235 20 0 JEADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@@H]21 ZINC001164947230 721960287 /nfs/dbraw/zinc/96/02/87/721960287.db2.gz PGNNYKOFUYEZIF-ZEQRLZLVSA-N 1 2 475.597 2.498 20 0 JEADLO O=C1NCCc2[nH]c(-c3ccnc(N4CCC5(CC4)C(=O)NCC[N@H+]5Cc4ccccc4)c3)cc21 ZINC001164943605 721973338 /nfs/dbraw/zinc/97/33/38/721973338.db2.gz ACNJOJSNDNXZPN-UHFFFAOYSA-N 1 2 470.577 2.334 20 0 JEADLO O=C1NCCc2[nH]c(-c3ccnc(N4CCC5(CC4)C(=O)NCC[N@@H+]5Cc4ccccc4)c3)cc21 ZINC001164943605 721973340 /nfs/dbraw/zinc/97/33/40/721973340.db2.gz ACNJOJSNDNXZPN-UHFFFAOYSA-N 1 2 470.577 2.334 20 0 JEADLO CC(C)N1Cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)C1=O ZINC001164945084 721977738 /nfs/dbraw/zinc/97/77/38/721977738.db2.gz BYBYEIUTIXJGRM-UHFFFAOYSA-N 1 2 468.989 2.465 20 0 JEADLO CC(C)N1Cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)C1=O ZINC001164945084 721977742 /nfs/dbraw/zinc/97/77/42/721977742.db2.gz BYBYEIUTIXJGRM-UHFFFAOYSA-N 1 2 468.989 2.465 20 0 JEADLO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164945060 721978365 /nfs/dbraw/zinc/97/83/65/721978365.db2.gz BHRQAPRKVBWUSU-UHFFFAOYSA-N 1 2 471.627 2.083 20 0 JEADLO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164945060 721978366 /nfs/dbraw/zinc/97/83/66/721978366.db2.gz BHRQAPRKVBWUSU-UHFFFAOYSA-N 1 2 471.627 2.083 20 0 JEADLO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)cc2C1 ZINC001164948863 721982098 /nfs/dbraw/zinc/98/20/98/721982098.db2.gz MKSZMFFJKMKQGV-FQEVSTJZSA-N 1 2 463.582 2.116 20 0 JEADLO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)cc2C1 ZINC001164948863 721982101 /nfs/dbraw/zinc/98/21/01/721982101.db2.gz MKSZMFFJKMKQGV-FQEVSTJZSA-N 1 2 463.582 2.116 20 0 JEADLO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1 ZINC001164955603 722007891 /nfs/dbraw/zinc/00/78/91/722007891.db2.gz XPVZGITUVDPFCP-NBGIEHNGSA-N 1 2 450.587 2.434 20 0 JEADLO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1 ZINC001164955603 722007893 /nfs/dbraw/zinc/00/78/93/722007893.db2.gz XPVZGITUVDPFCP-NBGIEHNGSA-N 1 2 450.587 2.434 20 0 JEADLO CC(C)C(=O)N1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001164969802 722088051 /nfs/dbraw/zinc/08/80/51/722088051.db2.gz ACOUYDOXHZARIK-MHZLTWQESA-N 1 2 476.625 2.378 20 0 JEADLO CC(C)C(=O)N1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001164969802 722088052 /nfs/dbraw/zinc/08/80/52/722088052.db2.gz ACOUYDOXHZARIK-MHZLTWQESA-N 1 2 476.625 2.378 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)CC2)C1=O ZINC001164642029 719277921 /nfs/dbraw/zinc/27/79/21/719277921.db2.gz WBNZEQDSNWUWQT-UHFFFAOYSA-N 1 2 491.633 2.117 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)CC2)C1=O ZINC001164642029 719277923 /nfs/dbraw/zinc/27/79/23/719277923.db2.gz WBNZEQDSNWUWQT-UHFFFAOYSA-N 1 2 491.633 2.117 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC2)C1=O ZINC001164644660 719285780 /nfs/dbraw/zinc/28/57/80/719285780.db2.gz OTAAKVIZVFNPTJ-UHFFFAOYSA-N 1 2 474.965 2.130 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC2)C1=O ZINC001164644660 719285783 /nfs/dbraw/zinc/28/57/83/719285783.db2.gz OTAAKVIZVFNPTJ-UHFFFAOYSA-N 1 2 474.965 2.130 20 0 JEADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc(N4CCOCC4)n2)CC3)cc1 ZINC001164672163 719499907 /nfs/dbraw/zinc/49/99/07/719499907.db2.gz GJBXCGWJSZEBCI-UHFFFAOYSA-N 1 2 462.957 2.372 20 0 JEADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc(N4CCOCC4)n2)CC3)cc1 ZINC001164672163 719499914 /nfs/dbraw/zinc/49/99/14/719499914.db2.gz GJBXCGWJSZEBCI-UHFFFAOYSA-N 1 2 462.957 2.372 20 0 JEADLO CN1c2cnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2N2CCC[C@@H]2C1=O ZINC001164673404 719511011 /nfs/dbraw/zinc/51/10/11/719511011.db2.gz SHFHRPDXDUJJOC-HXUWFJFHSA-N 1 2 466.561 2.432 20 0 JEADLO CN1c2cnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2N2CCC[C@@H]2C1=O ZINC001164673404 719511024 /nfs/dbraw/zinc/51/10/24/719511024.db2.gz SHFHRPDXDUJJOC-HXUWFJFHSA-N 1 2 466.561 2.432 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164701114 719851230 /nfs/dbraw/zinc/85/12/30/719851230.db2.gz JJGWBIUZDMNINH-QFQXNSOFSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164701114 719851231 /nfs/dbraw/zinc/85/12/31/719851231.db2.gz JJGWBIUZDMNINH-QFQXNSOFSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1 ZINC001164698378 719853618 /nfs/dbraw/zinc/85/36/18/719853618.db2.gz BVFQIGANGIPYIJ-DMPWYTOCSA-N 1 2 478.981 2.412 20 0 JEADLO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2N1C1CCCC1 ZINC001164704757 719854181 /nfs/dbraw/zinc/85/41/81/719854181.db2.gz SOXSYFDCRYIGME-NNPDTBDGSA-N 1 2 486.617 2.189 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCN(c3ccccc3F)CC2)ncn1 ZINC001164702346 719870844 /nfs/dbraw/zinc/87/08/44/719870844.db2.gz ILUYXARSOKKTKE-IBVKSMDESA-N 1 2 498.603 2.175 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)cc2OC)nn1 ZINC001164699898 719872979 /nfs/dbraw/zinc/87/29/79/719872979.db2.gz CSMDHBZHIZMGCS-MZNJEOGPSA-N 1 2 456.543 2.394 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 ZINC001164705027 719874987 /nfs/dbraw/zinc/87/49/87/719874987.db2.gz NBLLFMMILILQJC-GJZUVCINSA-N 1 2 481.597 2.213 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(NC(=O)c2ccccc2)n1 ZINC001164707817 719875229 /nfs/dbraw/zinc/87/52/29/719875229.db2.gz VRQMADHAUXFSGL-NTKDMRAZSA-N 1 2 453.543 2.270 20 0 JEADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708477 719906159 /nfs/dbraw/zinc/90/61/59/719906159.db2.gz DXIZPQMCMPRFAT-UHFFFAOYSA-N 1 2 497.987 2.144 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164708613 719920074 /nfs/dbraw/zinc/92/00/74/719920074.db2.gz NCSJKNHHIHSWHJ-UHFFFAOYSA-N 1 2 464.574 2.113 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccnc1C1SCCCS1)CC2 ZINC001164701745 720048778 /nfs/dbraw/zinc/04/87/78/720048778.db2.gz BCLUVQMAMVJGHG-UHFFFAOYSA-N 1 2 459.645 2.029 20 0 JEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164716895 720050945 /nfs/dbraw/zinc/05/09/45/720050945.db2.gz XRJKLEILTBXRNX-NIJXNBFTSA-N 1 2 485.592 2.239 20 0 JEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164716895 720050954 /nfs/dbraw/zinc/05/09/54/720050954.db2.gz XRJKLEILTBXRNX-NIJXNBFTSA-N 1 2 485.592 2.239 20 0 JEADLO COC[C@H]1CC2(CN1Cc1cccc[nH+]1)CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CC2 ZINC001164716265 720108908 /nfs/dbraw/zinc/10/89/08/720108908.db2.gz JWAHDEWCPVKOEF-GOSISDBHSA-N 1 2 470.599 2.264 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164719761 720225742 /nfs/dbraw/zinc/22/57/42/720225742.db2.gz TZBCKLQLSOIURS-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164719761 720225747 /nfs/dbraw/zinc/22/57/47/720225747.db2.gz TZBCKLQLSOIURS-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C2)C1 ZINC001164721244 720290472 /nfs/dbraw/zinc/29/04/72/720290472.db2.gz IMQPPLQFTPFVHU-HSZRJFAPSA-N 1 2 464.010 2.072 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C2)C1 ZINC001164721244 720290482 /nfs/dbraw/zinc/29/04/82/720290482.db2.gz IMQPPLQFTPFVHU-HSZRJFAPSA-N 1 2 464.010 2.072 20 0 JEADLO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1 ZINC001164724948 720320094 /nfs/dbraw/zinc/32/00/94/720320094.db2.gz SWOMTYLCLYDXIG-TUACAJSNSA-N 1 2 465.598 2.266 20 0 JEADLO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1 ZINC001164724948 720320096 /nfs/dbraw/zinc/32/00/96/720320096.db2.gz SWOMTYLCLYDXIG-TUACAJSNSA-N 1 2 465.598 2.266 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164823991 720359038 /nfs/dbraw/zinc/35/90/38/720359038.db2.gz GGQJMGNUAPXJEN-UHFFFAOYSA-N 1 2 450.012 2.274 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164823991 720359045 /nfs/dbraw/zinc/35/90/45/720359045.db2.gz GGQJMGNUAPXJEN-UHFFFAOYSA-N 1 2 450.012 2.274 20 0 JEADLO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824147 720360826 /nfs/dbraw/zinc/36/08/26/720360826.db2.gz JRZGYFXBDVVUKI-UHFFFAOYSA-N 1 2 480.594 2.495 20 0 JEADLO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824147 720360835 /nfs/dbraw/zinc/36/08/35/720360835.db2.gz JRZGYFXBDVVUKI-UHFFFAOYSA-N 1 2 480.594 2.495 20 0 JEADLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823087 720364998 /nfs/dbraw/zinc/36/49/98/720364998.db2.gz AIZKIKQMSWMRNM-UHFFFAOYSA-N 1 2 458.588 2.040 20 0 JEADLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823087 720365006 /nfs/dbraw/zinc/36/50/06/720365006.db2.gz AIZKIKQMSWMRNM-UHFFFAOYSA-N 1 2 458.588 2.040 20 0 JEADLO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819710 720372587 /nfs/dbraw/zinc/37/25/87/720372587.db2.gz GUHHJILEBJLTPA-UHFFFAOYSA-N 1 2 480.594 2.495 20 0 JEADLO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819710 720372593 /nfs/dbraw/zinc/37/25/93/720372593.db2.gz GUHHJILEBJLTPA-UHFFFAOYSA-N 1 2 480.594 2.495 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)c(F)c5c4C(=O)NC5)CC3)C2=O)cs1 ZINC001164820744 720373327 /nfs/dbraw/zinc/37/33/27/720373327.db2.gz SQIUOAWWATYWDY-UHFFFAOYSA-N 1 2 478.981 2.196 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)c(F)c5c4C(=O)NC5)CC3)C2=O)cs1 ZINC001164820744 720373329 /nfs/dbraw/zinc/37/33/29/720373329.db2.gz SQIUOAWWATYWDY-UHFFFAOYSA-N 1 2 478.981 2.196 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)NC5CCCC5)nn4)CC3)C2=O)cs1 ZINC001164826840 720380997 /nfs/dbraw/zinc/38/09/97/720380997.db2.gz XUWNUENBDFIUCO-UHFFFAOYSA-N 1 2 483.642 2.227 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)NC5CCCC5)nn4)CC3)C2=O)cs1 ZINC001164826840 720381003 /nfs/dbraw/zinc/38/10/03/720381003.db2.gz XUWNUENBDFIUCO-UHFFFAOYSA-N 1 2 483.642 2.227 20 0 JEADLO CCOC(=O)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1Cl ZINC001164824654 720434150 /nfs/dbraw/zinc/43/41/50/720434150.db2.gz ORRIJJYVZNFQFG-MRXNPFEDSA-N 1 2 463.966 2.098 20 0 JEADLO COC(=O)c1ccc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1Cl ZINC001164825197 720440745 /nfs/dbraw/zinc/44/07/45/720440745.db2.gz QMLJIYOMDKPDRD-HNNXBMFYSA-N 1 2 499.946 2.253 20 0 JEADLO COC(=O)c1ccc2ccnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164827087 720447628 /nfs/dbraw/zinc/44/76/28/720447628.db2.gz YZCWAZQQPBEZPI-HXUWFJFHSA-N 1 2 465.554 2.208 20 0 JEADLO CSc1nc2c(c(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)n1)CCCC2 ZINC001164823413 720448563 /nfs/dbraw/zinc/44/85/63/720448563.db2.gz JIYCRRYFANGMQX-KRWDZBQOSA-N 1 2 458.632 2.263 20 0 JEADLO COc1ccc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164824617 720450704 /nfs/dbraw/zinc/45/07/04/720450704.db2.gz OFRBNWLJMXDWPD-HNNXBMFYSA-N 1 2 471.936 2.475 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)C2 ZINC001164832321 720457227 /nfs/dbraw/zinc/45/72/27/720457227.db2.gz UFBGVAHFXBMQOO-KRWDZBQOSA-N 1 2 491.036 2.449 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164832286 720459256 /nfs/dbraw/zinc/45/92/56/720459256.db2.gz SPORYFSWLXDILU-CQSZACIVSA-N 1 2 456.925 2.048 20 0 JEADLO COc1cc2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2cc1OC ZINC001164832275 720459682 /nfs/dbraw/zinc/45/96/82/720459682.db2.gz SLYONSWVZALKPK-IBGZPJMESA-N 1 2 467.570 2.438 20 0 JEADLO CCCN(CCC)c1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831279 720463627 /nfs/dbraw/zinc/46/36/27/720463627.db2.gz OEVRTZUWNWDFAG-FQEVSTJZSA-N 1 2 457.623 2.289 20 0 JEADLO CN(C)c1ccc(-c2ccnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)n2)cc1 ZINC001164829289 720465246 /nfs/dbraw/zinc/46/52/46/720465246.db2.gz FHOKEVXJPBMCIR-NRFANRHFSA-N 1 2 477.613 2.396 20 0 JEADLO C[C@@H]1CCCN(C(=O)c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2)C1 ZINC001164830695 720471437 /nfs/dbraw/zinc/47/14/37/720471437.db2.gz KYBREBDITUNSFK-IFMALSPDSA-N 1 2 482.629 2.140 20 0 JEADLO COC(=O)c1cc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164833680 720481389 /nfs/dbraw/zinc/48/13/89/720481389.db2.gz QAAQTZJHHVURAF-INIZCTEOSA-N 1 2 463.966 2.016 20 0 JEADLO O=C(N[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164850651 720802145 /nfs/dbraw/zinc/80/21/45/720802145.db2.gz VQTOLXBQMKXKMF-UBFVSLLYSA-N 1 2 489.620 2.160 20 0 JEADLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)c1ccnnc1 ZINC001164877266 721320979 /nfs/dbraw/zinc/32/09/79/721320979.db2.gz KUIDLKWSCSFASS-KSNOWIBYSA-N 1 2 485.592 2.239 20 0 JEADLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)c1ccnnc1 ZINC001164877266 721320989 /nfs/dbraw/zinc/32/09/89/721320989.db2.gz KUIDLKWSCSFASS-KSNOWIBYSA-N 1 2 485.592 2.239 20 0 JEADLO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)O1 ZINC001164885978 721458252 /nfs/dbraw/zinc/45/82/52/721458252.db2.gz GAJYBQMMBGUBFM-SDHSZQHLSA-N 1 2 489.620 2.302 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001165016454 721765797 /nfs/dbraw/zinc/76/57/97/721765797.db2.gz WTXVICDVYIXFBU-UHFFFAOYSA-N 1 2 476.919 2.475 20 0 JEADLO O=C([C@@H]1C[C@@]2(CO1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2)N1CCOCC1 ZINC001165017075 721775004 /nfs/dbraw/zinc/77/50/04/721775004.db2.gz QTOVTZGMZKETII-IGKIAQTJSA-N 1 2 477.609 2.269 20 0 JEADLO O=C([C@@H]1C[C@@]2(CO1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2)N1CCOCC1 ZINC001165017075 721775008 /nfs/dbraw/zinc/77/50/08/721775008.db2.gz QTOVTZGMZKETII-IGKIAQTJSA-N 1 2 477.609 2.269 20 0 JEADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915534 721782268 /nfs/dbraw/zinc/78/22/68/721782268.db2.gz KZVBVRWHQFCTKF-XMMPIXPASA-N 1 2 453.543 2.034 20 0 JEADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915534 721782272 /nfs/dbraw/zinc/78/22/72/721782272.db2.gz KZVBVRWHQFCTKF-XMMPIXPASA-N 1 2 453.543 2.034 20 0 JEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917490 721785536 /nfs/dbraw/zinc/78/55/36/721785536.db2.gz XQDMNJPWDRMTGY-NRFANRHFSA-N 1 2 482.368 2.463 20 0 JEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917490 721785544 /nfs/dbraw/zinc/78/55/44/721785544.db2.gz XQDMNJPWDRMTGY-NRFANRHFSA-N 1 2 482.368 2.463 20 0 JEADLO COC(=O)c1c(Cl)cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1OC ZINC001164914859 721791502 /nfs/dbraw/zinc/79/15/02/721791502.db2.gz GLZGEGQGYMCZEL-QFIPXVFZSA-N 1 2 462.934 2.033 20 0 JEADLO COC(=O)c1c(Cl)cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1OC ZINC001164914859 721791506 /nfs/dbraw/zinc/79/15/06/721791506.db2.gz GLZGEGQGYMCZEL-QFIPXVFZSA-N 1 2 462.934 2.033 20 0 JEADLO COC(=O)c1c(Cl)cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1OC ZINC001164914858 721791858 /nfs/dbraw/zinc/79/18/58/721791858.db2.gz GLZGEGQGYMCZEL-JOCHJYFZSA-N 1 2 462.934 2.033 20 0 JEADLO COC(=O)c1c(Cl)cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1OC ZINC001164914858 721791861 /nfs/dbraw/zinc/79/18/61/721791861.db2.gz GLZGEGQGYMCZEL-JOCHJYFZSA-N 1 2 462.934 2.033 20 0 JEADLO Clc1nc2c(Cl)ncnc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914496 721798154 /nfs/dbraw/zinc/79/81/54/721798154.db2.gz ODXIFQMJBUTIPY-HXUWFJFHSA-N 1 2 462.341 2.229 20 0 JEADLO Clc1nc2c(Cl)ncnc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914496 721798156 /nfs/dbraw/zinc/79/81/56/721798156.db2.gz ODXIFQMJBUTIPY-HXUWFJFHSA-N 1 2 462.341 2.229 20 0 JEADLO O=C(CO[C@@H]1CO[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)N1CCCC1 ZINC001164939976 721916717 /nfs/dbraw/zinc/91/67/17/721916717.db2.gz XORBAOYNJZLTSU-CUNXSJBXSA-N 1 2 477.609 2.412 20 0 JEADLO O=C(CO[C@@H]1CO[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)N1CCCC1 ZINC001164939976 721916719 /nfs/dbraw/zinc/91/67/19/721916719.db2.gz XORBAOYNJZLTSU-CUNXSJBXSA-N 1 2 477.609 2.412 20 0 JEADLO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164948218 721974314 /nfs/dbraw/zinc/97/43/14/721974314.db2.gz VLEDBQPKKFSFME-UHFFFAOYSA-N 1 2 457.962 2.339 20 0 JEADLO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164948218 721974315 /nfs/dbraw/zinc/97/43/15/721974315.db2.gz VLEDBQPKKFSFME-UHFFFAOYSA-N 1 2 457.962 2.339 20 0 JEADLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(N2CCCCCC2)n1 ZINC001164948475 721978170 /nfs/dbraw/zinc/97/81/70/721978170.db2.gz ZTGUWTOCOIMJOT-UHFFFAOYSA-N 1 2 465.602 2.232 20 0 JEADLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(N2CCCCCC2)n1 ZINC001164948475 721978173 /nfs/dbraw/zinc/97/81/73/721978173.db2.gz ZTGUWTOCOIMJOT-UHFFFAOYSA-N 1 2 465.602 2.232 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4CCC5(C[C@H]5CCO)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164393699 718811296 /nfs/dbraw/zinc/81/12/96/718811296.db2.gz TVYRWSITBNLBTM-LJQANCHMSA-N 1 2 486.686 2.264 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5CC(F)(F)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164408620 718870392 /nfs/dbraw/zinc/87/03/92/718870392.db2.gz MUIYULQENMHUSN-DOTOQJQBSA-N 1 2 464.586 2.367 20 0 JEADLO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c1Cl ZINC001164633949 719271030 /nfs/dbraw/zinc/27/10/30/719271030.db2.gz KBMVJFSBZOCTDM-UHFFFAOYSA-N 1 2 459.374 2.325 20 0 JEADLO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c1Cl ZINC001164633949 719271033 /nfs/dbraw/zinc/27/10/33/719271033.db2.gz KBMVJFSBZOCTDM-UHFFFAOYSA-N 1 2 459.374 2.325 20 0 JEADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164635691 719272410 /nfs/dbraw/zinc/27/24/10/719272410.db2.gz TWRKWBAIZNTRAD-UHFFFAOYSA-N 1 2 473.599 2.141 20 0 JEADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164635691 719272416 /nfs/dbraw/zinc/27/24/16/719272416.db2.gz TWRKWBAIZNTRAD-UHFFFAOYSA-N 1 2 473.599 2.141 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)C1=O ZINC001164642042 719278910 /nfs/dbraw/zinc/27/89/10/719278910.db2.gz WFKOUNQQTXXJEM-UHFFFAOYSA-N 1 2 452.333 2.174 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)C1=O ZINC001164642042 719278911 /nfs/dbraw/zinc/27/89/11/719278911.db2.gz WFKOUNQQTXXJEM-UHFFFAOYSA-N 1 2 452.333 2.174 20 0 JEADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164664121 719346730 /nfs/dbraw/zinc/34/67/30/719346730.db2.gz RPSRWSWSMLTPFB-UHFFFAOYSA-N 1 2 452.584 2.424 20 0 JEADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164664121 719346731 /nfs/dbraw/zinc/34/67/31/719346731.db2.gz RPSRWSWSMLTPFB-UHFFFAOYSA-N 1 2 452.584 2.424 20 0 JEADLO CCOC(Cc1c(Cl)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC)OCC ZINC001164703607 719854625 /nfs/dbraw/zinc/85/46/25/719854625.db2.gz QHJIEVBZEIQRMS-KSFYIVLOSA-N 1 2 470.998 2.304 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NC(C)(C)C)cc(Cl)n1 ZINC001164703422 719858142 /nfs/dbraw/zinc/85/81/42/719858142.db2.gz PSNSYMBPRWZMHP-AOMKIAJQSA-N 1 2 452.983 2.496 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164698494 719859560 /nfs/dbraw/zinc/85/95/60/719859560.db2.gz CRYDEUCRLLCDBF-CPJSRVTESA-N 1 2 481.601 2.157 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC001164707234 719868982 /nfs/dbraw/zinc/86/89/82/719868982.db2.gz RQYKPAPJVZFPJP-BKMJKUGQSA-N 1 2 480.613 2.036 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc3c(c2)OCCO3)nn1 ZINC001164707968 719869204 /nfs/dbraw/zinc/86/92/04/719869204.db2.gz WWJCUMHERVFNKA-MHECFPHRSA-N 1 2 454.527 2.148 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 ZINC001164705028 719875075 /nfs/dbraw/zinc/87/50/75/719875075.db2.gz NBLLFMMILILQJC-NVQXNPDNSA-N 1 2 481.597 2.213 20 0 JEADLO CCOC(=O)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc2ccccc21 ZINC001164708927 719906821 /nfs/dbraw/zinc/90/68/21/719906821.db2.gz NRTWZQIQSWHVNF-UHFFFAOYSA-N 1 2 462.554 2.095 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164708317 719918838 /nfs/dbraw/zinc/91/88/38/719918838.db2.gz IRWHQELSHQNJJW-UHFFFAOYSA-N 1 2 483.576 2.409 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164708840 719919671 /nfs/dbraw/zinc/91/96/71/719919671.db2.gz UJFAJULKHIIFCF-UHFFFAOYSA-N 1 2 463.920 2.445 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164708027 719921959 /nfs/dbraw/zinc/92/19/59/719921959.db2.gz ALTSDEDICLWHOI-UHFFFAOYSA-N 1 2 474.613 2.304 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164708620 719923961 /nfs/dbraw/zinc/92/39/61/719923961.db2.gz NJBDZNCGZYXBJP-UHFFFAOYSA-N 1 2 451.962 2.481 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164708982 719926200 /nfs/dbraw/zinc/92/62/00/719926200.db2.gz VWYJOZWGQOTKHU-UHFFFAOYSA-N 1 2 451.506 2.092 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164707987 719933144 /nfs/dbraw/zinc/93/31/44/719933144.db2.gz ABRVVCXUYQXOGX-UHFFFAOYSA-N 1 2 459.476 2.390 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164703697 719938667 /nfs/dbraw/zinc/93/86/67/719938667.db2.gz LRAWORNTVWTWHU-UHFFFAOYSA-N 1 2 486.020 2.045 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164719959 720264459 /nfs/dbraw/zinc/26/44/59/720264459.db2.gz QBHKYUURUUNXAO-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164719959 720264476 /nfs/dbraw/zinc/26/44/76/720264476.db2.gz QBHKYUURUUNXAO-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164722780 720307255 /nfs/dbraw/zinc/30/72/55/720307255.db2.gz LJLIZNSJGMMGGH-QGZVFWFLSA-N 1 2 453.317 2.478 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164722780 720307263 /nfs/dbraw/zinc/30/72/63/720307263.db2.gz LJLIZNSJGMMGGH-QGZVFWFLSA-N 1 2 453.317 2.478 20 0 JEADLO COC(=O)c1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ncc2c1 ZINC001164826702 720361760 /nfs/dbraw/zinc/36/17/60/720361760.db2.gz YGOSSOQBCQWLQA-UHFFFAOYSA-N 1 2 480.594 2.495 20 0 JEADLO COC(=O)c1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ncc2c1 ZINC001164826702 720361766 /nfs/dbraw/zinc/36/17/66/720361766.db2.gz YGOSSOQBCQWLQA-UHFFFAOYSA-N 1 2 480.594 2.495 20 0 JEADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164825557 720362810 /nfs/dbraw/zinc/36/28/10/720362810.db2.gz QXSLHVMDZAVWSP-UHFFFAOYSA-N 1 2 479.006 2.385 20 0 JEADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164825557 720362817 /nfs/dbraw/zinc/36/28/17/720362817.db2.gz QXSLHVMDZAVWSP-UHFFFAOYSA-N 1 2 479.006 2.385 20 0 JEADLO COCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc(SC)n1 ZINC001164823084 720368233 /nfs/dbraw/zinc/36/82/33/720368233.db2.gz AIUQFVPNVFKPIA-UHFFFAOYSA-N 1 2 462.645 2.423 20 0 JEADLO COCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc(SC)n1 ZINC001164823084 720368239 /nfs/dbraw/zinc/36/82/39/720368239.db2.gz AIUQFVPNVFKPIA-UHFFFAOYSA-N 1 2 462.645 2.423 20 0 JEADLO Cc1sc2nc(CN3CCOCC3)nc(N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)c2c1C ZINC001164829342 720399359 /nfs/dbraw/zinc/39/93/59/720399359.db2.gz MKMUIFUDVVFNGE-UHFFFAOYSA-N 1 2 479.614 2.387 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001164824160 720441975 /nfs/dbraw/zinc/44/19/75/720441975.db2.gz NAYTWYDFTDLUMT-HNNXBMFYSA-N 1 2 462.982 2.081 20 0 JEADLO COc1cccc2nc(Cl)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164829197 720458011 /nfs/dbraw/zinc/45/80/11/720458011.db2.gz DJIDZVSBLRPJAS-MRXNPFEDSA-N 1 2 472.977 2.478 20 0 JEADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164833249 720458050 /nfs/dbraw/zinc/45/80/50/720458050.db2.gz ZYZWYAVVPJEBNJ-INIZCTEOSA-N 1 2 499.946 2.253 20 0 JEADLO COc1cc2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2cc1OC ZINC001164832276 720459311 /nfs/dbraw/zinc/45/93/11/720459311.db2.gz SLYONSWVZALKPK-LJQANCHMSA-N 1 2 467.570 2.438 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164832285 720459455 /nfs/dbraw/zinc/45/94/55/720459455.db2.gz SPORYFSWLXDILU-AWEZNQCLSA-N 1 2 456.925 2.048 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)COc1cccc(Cl)n1)C2 ZINC001164832328 720461276 /nfs/dbraw/zinc/46/12/76/720461276.db2.gz UKTVDJHDMZJVQW-MRXNPFEDSA-N 1 2 471.936 2.388 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001164831804 720465961 /nfs/dbraw/zinc/46/59/61/720465961.db2.gz QYTNCDINTUEXMP-OAQYLSRUSA-N 1 2 460.582 2.428 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164829601 720468485 /nfs/dbraw/zinc/46/84/85/720468485.db2.gz GFYWYUWMXYXXNI-AWEZNQCLSA-N 1 2 456.925 2.048 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3sc4c(c31)CCC4)C2 ZINC001164832700 720470899 /nfs/dbraw/zinc/47/08/99/720470899.db2.gz VVIRONPCAMIFBB-MRXNPFEDSA-N 1 2 454.600 2.366 20 0 JEADLO CC1CCN(C(=O)c2cccnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)CC1 ZINC001164832273 720471540 /nfs/dbraw/zinc/47/15/40/720471540.db2.gz SLPSJFICWJRQPY-NRFANRHFSA-N 1 2 482.629 2.140 20 0 JEADLO Cc1cc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)nn1 ZINC001164831190 720472538 /nfs/dbraw/zinc/47/25/38/720472538.db2.gz NJOYJYZRWORJFJ-OAHLLOKOSA-N 1 2 456.925 2.169 20 0 JEADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c(C)nc2c1 ZINC001164829318 720473216 /nfs/dbraw/zinc/47/32/16/720473216.db2.gz FLAKMKGQOXCXEM-SFHVURJKSA-N 1 2 452.559 2.133 20 0 JEADLO COc1ccc(OC)c(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)c1 ZINC001164832687 720474692 /nfs/dbraw/zinc/47/46/92/720474692.db2.gz VSGJEEQJCGRYOJ-IBGZPJMESA-N 1 2 494.596 2.347 20 0 JEADLO Cc1nc(-c2ccncc2)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164830808 720477027 /nfs/dbraw/zinc/47/70/27/720477027.db2.gz MERNUAPHJYLLLB-OAQYLSRUSA-N 1 2 463.586 2.342 20 0 JEADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164832211 720478210 /nfs/dbraw/zinc/47/82/10/720478210.db2.gz JFXPGVNJRCQRBT-NRFANRHFSA-N 1 2 491.596 2.223 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3nc(C4CC4)no3)ccn1)C2 ZINC001164832845 720478339 /nfs/dbraw/zinc/47/83/39/720478339.db2.gz LMFLIJNGIGGYMZ-IBGZPJMESA-N 1 2 465.558 2.195 20 0 JEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744642 720782601 /nfs/dbraw/zinc/78/26/01/720782601.db2.gz RTDZZLGRJBDVEO-OALUTQOASA-N 1 2 470.530 2.153 20 0 JEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744642 720782606 /nfs/dbraw/zinc/78/26/06/720782606.db2.gz RTDZZLGRJBDVEO-OALUTQOASA-N 1 2 470.530 2.153 20 0 JEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744648 720782640 /nfs/dbraw/zinc/78/26/40/720782640.db2.gz RTDZZLGRJBDVEO-RTBURBONSA-N 1 2 470.530 2.153 20 0 JEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744648 720782650 /nfs/dbraw/zinc/78/26/50/720782650.db2.gz RTDZZLGRJBDVEO-RTBURBONSA-N 1 2 470.530 2.153 20 0 JEADLO O=C(N[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]2COC[C@H]21)C1CCC1 ZINC001164850645 720802189 /nfs/dbraw/zinc/80/21/89/720802189.db2.gz VQTOLXBQMKXKMF-GVAUOCQISA-N 1 2 489.620 2.160 20 0 JEADLO O=C(NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]12)c1ccno1 ZINC001164861818 720905178 /nfs/dbraw/zinc/90/51/78/720905178.db2.gz UOZAPMOOGWQHTN-REHUZNOOSA-N 1 2 474.565 2.294 20 0 JEADLO O=C(NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]12)c1ccno1 ZINC001164861818 720905185 /nfs/dbraw/zinc/90/51/85/720905185.db2.gz UOZAPMOOGWQHTN-REHUZNOOSA-N 1 2 474.565 2.294 20 0 JEADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c1 ZINC001164770728 721275496 /nfs/dbraw/zinc/27/54/96/721275496.db2.gz YCUCUUYNNMXHHJ-ZDUSSCGKSA-N 1 2 484.916 2.234 20 0 JEADLO FC(F)(COc1ccc(Cl)nn1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913885 721794196 /nfs/dbraw/zinc/79/41/96/721794196.db2.gz IDRMPKHNPMWSSC-LJQANCHMSA-N 1 2 455.893 2.100 20 0 JEADLO FC(F)(COc1ccc(Cl)nn1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913885 721794197 /nfs/dbraw/zinc/79/41/97/721794197.db2.gz IDRMPKHNPMWSSC-LJQANCHMSA-N 1 2 455.893 2.100 20 0 JEADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@H]21 ZINC001164947215 721960252 /nfs/dbraw/zinc/96/02/52/721960252.db2.gz PGNNYKOFUYEZIF-DNQXCXABSA-N 1 2 475.597 2.498 20 0 JEADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)C1 ZINC001164951402 721979136 /nfs/dbraw/zinc/97/91/36/721979136.db2.gz YWLTUKOAUCQKSL-QFIPXVFZSA-N 1 2 492.624 2.227 20 0 JEADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)C1 ZINC001164951402 721979138 /nfs/dbraw/zinc/97/91/38/721979138.db2.gz YWLTUKOAUCQKSL-QFIPXVFZSA-N 1 2 492.624 2.227 20 0 JEADLO CCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C(=O)OCC ZINC001164945568 721981923 /nfs/dbraw/zinc/98/19/23/721981923.db2.gz AIZKUJYPICDMRV-UHFFFAOYSA-N 1 2 480.565 2.406 20 0 JEADLO CCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C(=O)OCC ZINC001164945568 721981925 /nfs/dbraw/zinc/98/19/25/721981925.db2.gz AIZKUJYPICDMRV-UHFFFAOYSA-N 1 2 480.565 2.406 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4CCn5cccc5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165052447 721991688 /nfs/dbraw/zinc/99/16/88/721991688.db2.gz YVWSPUVJEIDAGJ-UHFFFAOYSA-N 1 2 453.616 2.097 20 0 JEADLO O=C([C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2)N1CCOCC1 ZINC001164959053 722045089 /nfs/dbraw/zinc/04/50/89/722045089.db2.gz GBMWOOIBUCZPHK-QFIPXVFZSA-N 1 2 477.609 2.269 20 0 JEADLO O=C([C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2)N1CCOCC1 ZINC001164959053 722045090 /nfs/dbraw/zinc/04/50/90/722045090.db2.gz GBMWOOIBUCZPHK-QFIPXVFZSA-N 1 2 477.609 2.269 20 0 JEADLO CC(=O)N1CCC[C@@]2(C1)CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001164969501 722083661 /nfs/dbraw/zinc/08/36/61/722083661.db2.gz OUBUVAKWTDTAHT-HHHXNRCGSA-N 1 2 477.609 2.257 20 0 JEADLO CC(C)C(=O)N1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@]2(CCCC(=O)N2)C1 ZINC001164969801 722088076 /nfs/dbraw/zinc/08/80/76/722088076.db2.gz ACOUYDOXHZARIK-HHHXNRCGSA-N 1 2 476.625 2.378 20 0 JEADLO CC(C)C(=O)N1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@]2(CCCC(=O)N2)C1 ZINC001164969801 722088077 /nfs/dbraw/zinc/08/80/77/722088077.db2.gz ACOUYDOXHZARIK-HHHXNRCGSA-N 1 2 476.625 2.378 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)CC2)C1=O ZINC001164644532 719284418 /nfs/dbraw/zinc/28/44/18/719284418.db2.gz NJIBJBODOHFILH-UHFFFAOYSA-N 1 2 455.559 2.345 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)CC2)C1=O ZINC001164644532 719284420 /nfs/dbraw/zinc/28/44/20/719284420.db2.gz NJIBJBODOHFILH-UHFFFAOYSA-N 1 2 455.559 2.345 20 0 JEADLO Cn1cnc2c1nc(N1CCC3(CC1)COCC[N@@H+]3Cc1ccc(F)cc1)nc2N1CCOCC1 ZINC001164673620 719502351 /nfs/dbraw/zinc/50/23/51/719502351.db2.gz PYHWKDZZUVOCHR-UHFFFAOYSA-N 1 2 481.576 2.210 20 0 JEADLO Cn1cnc2c1nc(N1CCC3(CC1)COCC[N@H+]3Cc1ccc(F)cc1)nc2N1CCOCC1 ZINC001164673620 719502366 /nfs/dbraw/zinc/50/23/66/719502366.db2.gz PYHWKDZZUVOCHR-UHFFFAOYSA-N 1 2 481.576 2.210 20 0 JEADLO O=S(=O)(c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1)N1CCOCC1 ZINC001164673372 719521138 /nfs/dbraw/zinc/52/11/38/719521138.db2.gz QMVJGXOUXGYTMR-UHFFFAOYSA-N 1 2 490.601 2.113 20 0 JEADLO O=S(=O)(c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1)N1CCOCC1 ZINC001164673372 719521147 /nfs/dbraw/zinc/52/11/47/719521147.db2.gz QMVJGXOUXGYTMR-UHFFFAOYSA-N 1 2 490.601 2.113 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)NCc1ccccc1 ZINC001164700379 719842342 /nfs/dbraw/zinc/84/23/42/719842342.db2.gz JVCWHQSACUYUEI-CPJSRVTESA-N 1 2 452.555 2.244 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1C(=O)NC(C)(C)C ZINC001164704049 719858119 /nfs/dbraw/zinc/85/81/19/719858119.db2.gz QQRGGPVYLUMMHD-NYHFZMIOSA-N 1 2 452.983 2.496 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NC(C)(C)C)cc(Cl)n1 ZINC001164703426 719858133 /nfs/dbraw/zinc/85/81/33/719858133.db2.gz PSNSYMBPRWZMHP-ZHRRBRCNSA-N 1 2 452.983 2.496 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1C(=O)NC(C)(C)C ZINC001164704051 719858262 /nfs/dbraw/zinc/85/82/62/719858262.db2.gz QQRGGPVYLUMMHD-OYHNWAKOSA-N 1 2 452.983 2.496 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164698496 719859738 /nfs/dbraw/zinc/85/97/38/719859738.db2.gz CRYDEUCRLLCDBF-NLFFAJNJSA-N 1 2 481.601 2.157 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(C)sc2c(N2CCOCC2)n1 ZINC001164697811 719860182 /nfs/dbraw/zinc/86/01/82/719860182.db2.gz BAFHYPGCZVWDIN-GAJHUEQPSA-N 1 2 475.615 2.069 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(NC(=O)c2ccccc2)n1 ZINC001164707816 719875029 /nfs/dbraw/zinc/87/50/29/719875029.db2.gz VRQMADHAUXFSGL-DVECYGJZSA-N 1 2 453.543 2.270 20 0 JEADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697073 719898017 /nfs/dbraw/zinc/89/80/17/719898017.db2.gz JGSSEZLYLABOJV-HKBQPEDESA-N 1 2 464.613 2.324 20 0 JEADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697073 719898019 /nfs/dbraw/zinc/89/80/19/719898019.db2.gz JGSSEZLYLABOJV-HKBQPEDESA-N 1 2 464.613 2.324 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164708224 719921886 /nfs/dbraw/zinc/92/18/86/719921886.db2.gz FNYFCQCWRDREGN-UHFFFAOYSA-N 1 2 461.357 2.015 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164709102 719924158 /nfs/dbraw/zinc/92/41/58/719924158.db2.gz XXTXBEYDVHXYLV-UHFFFAOYSA-N 1 2 465.936 2.236 20 0 JEADLO Cc1ccc(-c2nc3c(ncnc3N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)o2)cc1 ZINC001164708296 719925151 /nfs/dbraw/zinc/92/51/51/719925151.db2.gz HSAICQHLVVHKMM-UHFFFAOYSA-N 1 2 472.553 2.277 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164708251 719934331 /nfs/dbraw/zinc/93/43/31/719934331.db2.gz GLVHYRLOQZLDBT-UHFFFAOYSA-N 1 2 474.993 2.374 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164708605 719934362 /nfs/dbraw/zinc/93/43/62/719934362.db2.gz MZIYATIRNWODBW-UHFFFAOYSA-N 1 2 463.611 2.453 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164708222 719935498 /nfs/dbraw/zinc/93/54/98/719935498.db2.gz FLTPJONQSNJZEF-UHFFFAOYSA-N 1 2 474.594 2.437 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164702279 720047686 /nfs/dbraw/zinc/04/76/86/720047686.db2.gz DRJHPDCHYIZUNH-UHFFFAOYSA-N 1 2 460.316 2.012 20 0 JEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164716890 720051431 /nfs/dbraw/zinc/05/14/31/720051431.db2.gz XRJKLEILTBXRNX-AMDXRBSFSA-N 1 2 485.592 2.239 20 0 JEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164716890 720051439 /nfs/dbraw/zinc/05/14/39/720051439.db2.gz XRJKLEILTBXRNX-AMDXRBSFSA-N 1 2 485.592 2.239 20 0 JEADLO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001164711965 720073200 /nfs/dbraw/zinc/07/32/00/720073200.db2.gz OJUMBFXDHBDJQV-DNQXCXABSA-N 1 2 485.592 2.157 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C2)C1 ZINC001164717219 720223233 /nfs/dbraw/zinc/22/32/33/720223233.db2.gz GRFGJEHAUBPWQJ-SANMLTNESA-N 1 2 499.059 2.353 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C2)C1 ZINC001164717219 720223239 /nfs/dbraw/zinc/22/32/39/720223239.db2.gz GRFGJEHAUBPWQJ-SANMLTNESA-N 1 2 499.059 2.353 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C2)C1 ZINC001164721949 720292014 /nfs/dbraw/zinc/29/20/14/720292014.db2.gz NNMRIXNBXKTROQ-NRFANRHFSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C2)C1 ZINC001164721949 720292020 /nfs/dbraw/zinc/29/20/20/720292020.db2.gz NNMRIXNBXKTROQ-NRFANRHFSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C2)C1 ZINC001164720849 720305650 /nfs/dbraw/zinc/30/56/50/720305650.db2.gz BDKBQDUMKJPNKW-QGZVFWFLSA-N 1 2 453.317 2.478 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C2)C1 ZINC001164720849 720305662 /nfs/dbraw/zinc/30/56/62/720305662.db2.gz BDKBQDUMKJPNKW-QGZVFWFLSA-N 1 2 453.317 2.478 20 0 JEADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824801 720358914 /nfs/dbraw/zinc/35/89/14/720358914.db2.gz METHKUPRMZKOJR-UHFFFAOYSA-N 1 2 479.006 2.385 20 0 JEADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824801 720358925 /nfs/dbraw/zinc/35/89/25/720358925.db2.gz METHKUPRMZKOJR-UHFFFAOYSA-N 1 2 479.006 2.385 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4[C@H](C)CC(=O)N5)CC3)C2=O)cs1 ZINC001164820933 720372019 /nfs/dbraw/zinc/37/20/19/720372019.db2.gz UTPWKBMRLYLAJY-CQSZACIVSA-N 1 2 455.588 2.000 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4[C@H](C)CC(=O)N5)CC3)C2=O)cs1 ZINC001164820933 720372029 /nfs/dbraw/zinc/37/20/29/720372029.db2.gz UTPWKBMRLYLAJY-CQSZACIVSA-N 1 2 455.588 2.000 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN([C@@H](F)Oc4ccc(Cl)nn4)CC3)C2=O)cs1 ZINC001164821803 720386334 /nfs/dbraw/zinc/38/63/34/720386334.db2.gz IRGAOTRDTIMCQN-GOSISDBHSA-N 1 2 454.959 2.336 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN([C@@H](F)Oc4ccc(Cl)nn4)CC3)C2=O)cs1 ZINC001164821803 720386342 /nfs/dbraw/zinc/38/63/42/720386342.db2.gz IRGAOTRDTIMCQN-GOSISDBHSA-N 1 2 454.959 2.336 20 0 JEADLO Cc1cc(Cl)nc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823650 720432432 /nfs/dbraw/zinc/43/24/32/720432432.db2.gz IPRBJXIGKNAXGB-HNNXBMFYSA-N 1 2 456.925 2.169 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001164822815 720436989 /nfs/dbraw/zinc/43/69/89/720436989.db2.gz IMYHOLPKRLKBOR-OAHLLOKOSA-N 1 2 465.023 2.105 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(OCc3ccccc3)n1)C2 ZINC001164822705 720439835 /nfs/dbraw/zinc/43/98/35/720439835.db2.gz GSDHDRWZORCBED-NRFANRHFSA-N 1 2 464.570 2.242 20 0 JEADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164825159 720450682 /nfs/dbraw/zinc/45/06/82/720450682.db2.gz QIIPJEWDWINUTI-OAHLLOKOSA-N 1 2 499.946 2.253 20 0 JEADLO COc1cccc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824016 720451892 /nfs/dbraw/zinc/45/18/92/720451892.db2.gz KUZFMQSLSHJYHC-MRXNPFEDSA-N 1 2 472.977 2.478 20 0 JEADLO CCOc1ccc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164829849 720456264 /nfs/dbraw/zinc/45/62/64/720456264.db2.gz HHWLKGFTGJKPPA-GOSISDBHSA-N 1 2 452.559 2.215 20 0 JEADLO CCN(CC)C(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164832726 720457569 /nfs/dbraw/zinc/45/75/69/720457569.db2.gz WGCWNZNWJYVMSO-LJQANCHMSA-N 1 2 491.036 2.403 20 0 JEADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164833250 720458163 /nfs/dbraw/zinc/45/81/63/720458163.db2.gz ZYZWYAVVPJEBNJ-MRXNPFEDSA-N 1 2 499.946 2.253 20 0 JEADLO Cc1nc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(Cl)c1C ZINC001164829222 720460430 /nfs/dbraw/zinc/46/04/30/720460430.db2.gz DPZAYNRBPIVTNH-MRXNPFEDSA-N 1 2 470.952 2.478 20 0 JEADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164830249 720468588 /nfs/dbraw/zinc/46/85/88/720468588.db2.gz JXDDLGFORSJIOT-MRXNPFEDSA-N 1 2 499.946 2.253 20 0 JEADLO COC(=O)c1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c2ccccc2c1OC ZINC001164829690 720476205 /nfs/dbraw/zinc/47/62/05/720476205.db2.gz GSJCFMZGGJMAHQ-SFHVURJKSA-N 1 2 495.580 2.216 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(-c3ccc(F)cc3)n1)C2 ZINC001164835134 720481283 /nfs/dbraw/zinc/48/12/83/720481283.db2.gz XAGOFIYPHCJCSK-LJQANCHMSA-N 1 2 452.534 2.469 20 0 JEADLO CCCSc1ncnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1OC ZINC001164831047 720483019 /nfs/dbraw/zinc/48/30/19/720483019.db2.gz DZXYIBOWAGEHOQ-KRWDZBQOSA-N 1 2 462.620 2.173 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001164832592 720483891 /nfs/dbraw/zinc/48/38/91/720483891.db2.gz JVYRQEYPMXWRAO-MRXNPFEDSA-N 1 2 465.533 2.436 20 0 JEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744645 720782573 /nfs/dbraw/zinc/78/25/73/720782573.db2.gz RTDZZLGRJBDVEO-RBUKOAKNSA-N 1 2 470.530 2.153 20 0 JEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744645 720782577 /nfs/dbraw/zinc/78/25/77/720782577.db2.gz RTDZZLGRJBDVEO-RBUKOAKNSA-N 1 2 470.530 2.153 20 0 JEADLO COc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(S(C)(=O)=O)n1 ZINC001164908073 721704940 /nfs/dbraw/zinc/70/49/40/721704940.db2.gz VBCPXHFAZIWYCH-LJQANCHMSA-N 1 2 453.515 2.021 20 0 JEADLO COc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(S(C)(=O)=O)n1 ZINC001164908073 721704945 /nfs/dbraw/zinc/70/49/45/721704945.db2.gz VBCPXHFAZIWYCH-LJQANCHMSA-N 1 2 453.515 2.021 20 0 JEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001165011845 721705534 /nfs/dbraw/zinc/70/55/34/721705534.db2.gz ZKUIRCYGYWJUJC-UHFFFAOYSA-N 1 2 455.394 2.462 20 0 JEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001165011845 721705539 /nfs/dbraw/zinc/70/55/39/721705539.db2.gz ZKUIRCYGYWJUJC-UHFFFAOYSA-N 1 2 455.394 2.462 20 0 JEADLO CC(=O)Oc1cc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2cc1OC(C)=O ZINC001165009513 721709896 /nfs/dbraw/zinc/70/98/96/721709896.db2.gz UPDSZTPSYNIMTO-UHFFFAOYSA-N 1 2 467.530 2.322 20 0 JEADLO CC(=O)Oc1cc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2cc1OC(C)=O ZINC001165009513 721709902 /nfs/dbraw/zinc/70/99/02/721709902.db2.gz UPDSZTPSYNIMTO-UHFFFAOYSA-N 1 2 467.530 2.322 20 0 JEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001165010059 721722149 /nfs/dbraw/zinc/72/21/49/721722149.db2.gz FODLROFMAFBFFZ-UHFFFAOYSA-N 1 2 455.394 2.462 20 0 JEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001165010059 721722153 /nfs/dbraw/zinc/72/21/53/721722153.db2.gz FODLROFMAFBFFZ-UHFFFAOYSA-N 1 2 455.394 2.462 20 0 JEADLO c1cc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc(N3CCOCC3)c2s1 ZINC001164911127 721772564 /nfs/dbraw/zinc/77/25/64/721772564.db2.gz FLYPJVIOVZAWCK-DEOSSOPVSA-N 1 2 482.610 2.031 20 0 JEADLO c1cc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc(N3CCOCC3)c2s1 ZINC001164911127 721772569 /nfs/dbraw/zinc/77/25/69/721772569.db2.gz FLYPJVIOVZAWCK-DEOSSOPVSA-N 1 2 482.610 2.031 20 0 JEADLO O=C([C@H]1C[C@]2(CO1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2)N1CCOCC1 ZINC001165017083 721774825 /nfs/dbraw/zinc/77/48/25/721774825.db2.gz QTOVTZGMZKETII-SHQCIBLASA-N 1 2 477.609 2.269 20 0 JEADLO O=C([C@H]1C[C@]2(CO1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2)N1CCOCC1 ZINC001165017083 721774828 /nfs/dbraw/zinc/77/48/28/721774828.db2.gz QTOVTZGMZKETII-SHQCIBLASA-N 1 2 477.609 2.269 20 0 JEADLO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c12 ZINC001164946719 721977576 /nfs/dbraw/zinc/97/75/76/721977576.db2.gz KKXMUHHUQBFJBH-UHFFFAOYSA-N 1 2 468.945 2.369 20 0 JEADLO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c12 ZINC001164946719 721977579 /nfs/dbraw/zinc/97/75/79/721977579.db2.gz KKXMUHHUQBFJBH-UHFFFAOYSA-N 1 2 468.945 2.369 20 0 JEADLO O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000025514365 563020454 /nfs/dbraw/zinc/02/04/54/563020454.db2.gz AQNYNIZCMUXTEO-JKSUJKDBSA-N 1 2 486.940 2.222 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC2)C1=O ZINC001164640897 719277101 /nfs/dbraw/zinc/27/71/01/719277101.db2.gz QOEAKXVYJUHUNR-UHFFFAOYSA-N 1 2 464.929 2.216 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC2)C1=O ZINC001164640897 719277102 /nfs/dbraw/zinc/27/71/02/719277102.db2.gz QOEAKXVYJUHUNR-UHFFFAOYSA-N 1 2 464.929 2.216 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NC(C)(C)C)cc(Cl)n1 ZINC001164703425 719858230 /nfs/dbraw/zinc/85/82/30/719858230.db2.gz PSNSYMBPRWZMHP-OPAMFIHVSA-N 1 2 452.983 2.496 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2Cc1ccccc1F ZINC001164703079 719859582 /nfs/dbraw/zinc/85/95/82/719859582.db2.gz OPNYIOJUJVFWRQ-HOYKHHGWSA-N 1 2 468.533 2.246 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)Nc2nncs2)cc1Cl ZINC001164705737 719871439 /nfs/dbraw/zinc/87/14/39/719871439.db2.gz OJFGCLDEDWMWHR-JLTOFOAXSA-N 1 2 480.978 2.072 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164708462 719908838 /nfs/dbraw/zinc/90/88/38/719908838.db2.gz DRHJQODWODREBI-UHFFFAOYSA-N 1 2 451.962 2.481 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164708833 719917497 /nfs/dbraw/zinc/91/74/97/719917497.db2.gz TWNSZLHNMMIQKE-UHFFFAOYSA-N 1 2 465.989 2.405 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164708330 719924959 /nfs/dbraw/zinc/92/49/59/719924959.db2.gz JMPYMRLMLKOORJ-UHFFFAOYSA-N 1 2 486.020 2.091 20 0 JEADLO Cc1cc(OCc2ccccc2)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708103 719934391 /nfs/dbraw/zinc/93/43/91/719934391.db2.gz CGKURSXOTWVYAS-UHFFFAOYSA-N 1 2 461.570 2.048 20 0 JEADLO Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001164711967 720072736 /nfs/dbraw/zinc/07/27/36/720072736.db2.gz OJUMBFXDHBDJQV-ZEQRLZLVSA-N 1 2 485.592 2.157 20 0 JEADLO O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)N1CCCC1 ZINC001164712381 720081342 /nfs/dbraw/zinc/08/13/42/720081342.db2.gz PGJUOBXSBZRJNJ-DGWZTRNLSA-N 1 2 477.609 2.410 20 0 JEADLO O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)N1CCCC1 ZINC001164712381 720081351 /nfs/dbraw/zinc/08/13/51/720081351.db2.gz PGJUOBXSBZRJNJ-DGWZTRNLSA-N 1 2 477.609 2.410 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164720074 720217882 /nfs/dbraw/zinc/21/78/82/720217882.db2.gz VRCYQMYRRRBRGN-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164720074 720217884 /nfs/dbraw/zinc/21/78/84/720217884.db2.gz VRCYQMYRRRBRGN-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO Cc1nc2nc(Cl)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2[nH]1 ZINC001164824140 720364211 /nfs/dbraw/zinc/36/42/11/720364211.db2.gz JNHWKJFEGKSYQF-UHFFFAOYSA-N 1 2 460.995 2.393 20 0 JEADLO Cc1nc2nc(Cl)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2[nH]1 ZINC001164824140 720364216 /nfs/dbraw/zinc/36/42/16/720364216.db2.gz JNHWKJFEGKSYQF-UHFFFAOYSA-N 1 2 460.995 2.393 20 0 JEADLO Cc1cn(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nn2)cn1 ZINC001164820704 720374891 /nfs/dbraw/zinc/37/48/91/720374891.db2.gz QTMRGSYSDKTQGD-UHFFFAOYSA-N 1 2 452.588 2.049 20 0 JEADLO Cc1cn(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nn2)cn1 ZINC001164820704 720374898 /nfs/dbraw/zinc/37/48/98/720374898.db2.gz QTMRGSYSDKTQGD-UHFFFAOYSA-N 1 2 452.588 2.049 20 0 JEADLO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164825063 720385767 /nfs/dbraw/zinc/38/57/67/720385767.db2.gz UBEMIGRSPJNMTO-UHFFFAOYSA-N 1 2 492.049 2.348 20 0 JEADLO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164825063 720385775 /nfs/dbraw/zinc/38/57/75/720385775.db2.gz UBEMIGRSPJNMTO-UHFFFAOYSA-N 1 2 492.049 2.348 20 0 JEADLO CCOC(=O)c1cnc(Cl)cc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824977 720429423 /nfs/dbraw/zinc/42/94/23/720429423.db2.gz NEPDXMUVBNMSSQ-INIZCTEOSA-N 1 2 463.966 2.098 20 0 JEADLO Cc1cc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(Cl)n1 ZINC001164823439 720443755 /nfs/dbraw/zinc/44/37/55/720443755.db2.gz JWJXASYLOGUNGD-HNNXBMFYSA-N 1 2 456.925 2.169 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001164825756 720451941 /nfs/dbraw/zinc/45/19/41/720451941.db2.gz UVEYGJGCYAPVEY-IBGZPJMESA-N 1 2 457.575 2.223 20 0 JEADLO COc1ccc2nc(Cl)cc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2n1 ZINC001164831781 720456428 /nfs/dbraw/zinc/45/64/28/720456428.db2.gz QGGNBWMUOYVADA-INIZCTEOSA-N 1 2 472.977 2.478 20 0 JEADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc(C)c2c1 ZINC001164829668 720459719 /nfs/dbraw/zinc/45/97/19/720459719.db2.gz GNICJRNITQDDHH-GOSISDBHSA-N 1 2 452.559 2.133 20 0 JEADLO COC(=O)c1cc2c(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)[nH]c(Cl)cc-2n1 ZINC001164828758 720463574 /nfs/dbraw/zinc/46/35/74/720463574.db2.gz AKGKBLHRKSBROA-HNNXBMFYSA-N 1 2 488.976 2.189 20 0 JEADLO COc1cccc(-c2ccnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)n2)c1 ZINC001164833124 720463968 /nfs/dbraw/zinc/46/39/68/720463968.db2.gz YQQUJVWYEBIUTC-FQEVSTJZSA-N 1 2 464.570 2.338 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3cccnc3)nc3c1CCC3)C2 ZINC001164833517 720476804 /nfs/dbraw/zinc/47/68/04/720476804.db2.gz PKEODZRDGGVHBV-FQEVSTJZSA-N 1 2 475.597 2.213 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1ncn3-c1ccccc1)C2 ZINC001164831871 720477785 /nfs/dbraw/zinc/47/77/85/720477785.db2.gz HQFQCWXZYXRLFN-IBGZPJMESA-N 1 2 474.569 2.002 20 0 JEADLO Cc1nc(C)c(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)s1 ZINC001164830924 720477846 /nfs/dbraw/zinc/47/78/46/720477846.db2.gz CLOBVLFAIHNJBM-SFHVURJKSA-N 1 2 469.615 2.403 20 0 JEADLO CCCSc1ncnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1OC ZINC001164831051 720481889 /nfs/dbraw/zinc/48/18/89/720481889.db2.gz DZXYIBOWAGEHOQ-QGZVFWFLSA-N 1 2 462.620 2.173 20 0 JEADLO COc1cc(C)c2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164834136 720483405 /nfs/dbraw/zinc/48/34/05/720483405.db2.gz RXLGOSVXSZZDLS-SFHVURJKSA-N 1 2 452.559 2.133 20 0 JEADLO COC(=O)c1ccc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1Cl ZINC001164858738 720895178 /nfs/dbraw/zinc/89/51/78/720895178.db2.gz OJNFAVHTKFUXSV-UHFFFAOYSA-N 1 2 464.860 2.278 20 0 JEADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001164757343 720978728 /nfs/dbraw/zinc/97/87/28/720978728.db2.gz OIEVITYTHRIJRV-ZDUSSCGKSA-N 1 2 461.922 2.187 20 0 JEADLO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]12 ZINC001164757578 720988802 /nfs/dbraw/zinc/98/88/02/720988802.db2.gz PELYUNHTCRQUCH-VIZSFHNOSA-N 1 2 450.587 2.147 20 0 JEADLO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]12 ZINC001164757578 720988812 /nfs/dbraw/zinc/98/88/12/720988812.db2.gz PELYUNHTCRQUCH-VIZSFHNOSA-N 1 2 450.587 2.147 20 0 JEADLO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164757576 720989338 /nfs/dbraw/zinc/98/93/38/720989338.db2.gz PELYUNHTCRQUCH-MZKRTTBSSA-N 1 2 450.587 2.147 20 0 JEADLO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164757576 720989364 /nfs/dbraw/zinc/98/93/64/720989364.db2.gz PELYUNHTCRQUCH-MZKRTTBSSA-N 1 2 450.587 2.147 20 0 JEADLO CNC(=O)[C@]12CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164867528 721202812 /nfs/dbraw/zinc/20/28/12/721202812.db2.gz GSASEKRXLSKXJO-YIXXDRMTSA-N 1 2 484.608 2.046 20 0 JEADLO CNC(=O)[C@]12CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164867528 721202815 /nfs/dbraw/zinc/20/28/15/721202815.db2.gz GSASEKRXLSKXJO-YIXXDRMTSA-N 1 2 484.608 2.046 20 0 JEADLO O=C(N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)c1cnccn1 ZINC001164866440 721211926 /nfs/dbraw/zinc/21/19/26/721211926.db2.gz ALBFEFPOHQJCJZ-JIPXPUAJSA-N 1 2 485.592 2.383 20 0 JEADLO O=C(N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)c1cnccn1 ZINC001164866440 721211928 /nfs/dbraw/zinc/21/19/28/721211928.db2.gz ALBFEFPOHQJCJZ-JIPXPUAJSA-N 1 2 485.592 2.383 20 0 JEADLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)c1ccnnc1 ZINC001164877262 721321102 /nfs/dbraw/zinc/32/11/02/721321102.db2.gz KUIDLKWSCSFASS-AMDXRBSFSA-N 1 2 485.592 2.239 20 0 JEADLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)c1ccnnc1 ZINC001164877262 721321104 /nfs/dbraw/zinc/32/11/04/721321104.db2.gz KUIDLKWSCSFASS-AMDXRBSFSA-N 1 2 485.592 2.239 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001165014960 721765256 /nfs/dbraw/zinc/76/52/56/721765256.db2.gz KNCOOVARAPWUIK-UHFFFAOYSA-N 1 2 453.856 2.342 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001165017093 721765289 /nfs/dbraw/zinc/76/52/89/721765289.db2.gz ZSDKRZNVQWGHNU-UHFFFAOYSA-N 1 2 471.299 2.251 20 0 JEADLO COc1ccc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1Cl ZINC001165014733 721765823 /nfs/dbraw/zinc/76/58/23/721765823.db2.gz IDQQEKASKVCNKB-UHFFFAOYSA-N 1 2 465.892 2.211 20 0 JEADLO O=C(c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2)N1CCCCC1 ZINC001164911370 721770131 /nfs/dbraw/zinc/77/01/31/721770131.db2.gz GNZFWZUXTARKSB-RUZDIDTESA-N 1 2 451.571 2.211 20 0 JEADLO O=C(c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)N1CCCCC1 ZINC001164911370 721770136 /nfs/dbraw/zinc/77/01/36/721770136.db2.gz GNZFWZUXTARKSB-RUZDIDTESA-N 1 2 451.571 2.211 20 0 JEADLO CCOC(=O)c1cc2cccnc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916746 721781989 /nfs/dbraw/zinc/78/19/89/721781989.db2.gz SZRUTUXUZVHNJM-RUZDIDTESA-N 1 2 463.538 2.309 20 0 JEADLO CCOC(=O)c1cc2cccnc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916746 721781990 /nfs/dbraw/zinc/78/19/90/721781990.db2.gz SZRUTUXUZVHNJM-RUZDIDTESA-N 1 2 463.538 2.309 20 0 JEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917491 721786051 /nfs/dbraw/zinc/78/60/51/721786051.db2.gz XQDMNJPWDRMTGY-OAQYLSRUSA-N 1 2 482.368 2.463 20 0 JEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917491 721786055 /nfs/dbraw/zinc/78/60/55/721786055.db2.gz XQDMNJPWDRMTGY-OAQYLSRUSA-N 1 2 482.368 2.463 20 0 JEADLO CC1CCN(C(=O)c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)CC1 ZINC001164913212 721794117 /nfs/dbraw/zinc/79/41/17/721794117.db2.gz BGLRQPLPQLDDSF-AREMUKBSSA-N 1 2 465.598 2.457 20 0 JEADLO CC1CCN(C(=O)c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)CC1 ZINC001164913212 721794120 /nfs/dbraw/zinc/79/41/20/721794120.db2.gz BGLRQPLPQLDDSF-AREMUKBSSA-N 1 2 465.598 2.457 20 0 JEADLO C[C@H]1CCCN(C(=O)c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)C1 ZINC001164914646 721794254 /nfs/dbraw/zinc/79/42/54/721794254.db2.gz OVGUJHMYWFWWBP-HFZDXXHNSA-N 1 2 465.598 2.457 20 0 JEADLO C[C@H]1CCCN(C(=O)c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)C1 ZINC001164914646 721794257 /nfs/dbraw/zinc/79/42/57/721794257.db2.gz OVGUJHMYWFWWBP-HFZDXXHNSA-N 1 2 465.598 2.457 20 0 JEADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@@H]21 ZINC001164947212 721960184 /nfs/dbraw/zinc/96/01/84/721960184.db2.gz PGNNYKOFUYEZIF-BJKOFHAPSA-N 1 2 475.597 2.498 20 0 JEADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@H]21 ZINC001164947227 721960233 /nfs/dbraw/zinc/96/02/33/721960233.db2.gz PGNNYKOFUYEZIF-RPWUZVMVSA-N 1 2 475.597 2.498 20 0 JEADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949336 721981257 /nfs/dbraw/zinc/98/12/57/721981257.db2.gz OSVXHMJEOIWNLC-MRXNPFEDSA-N 1 2 457.962 2.378 20 0 JEADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949336 721981259 /nfs/dbraw/zinc/98/12/59/721981259.db2.gz OSVXHMJEOIWNLC-MRXNPFEDSA-N 1 2 457.962 2.378 20 0 JEADLO CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1 ZINC001164955602 722008012 /nfs/dbraw/zinc/00/80/12/722008012.db2.gz XPVZGITUVDPFCP-CPJSRVTESA-N 1 2 450.587 2.434 20 0 JEADLO CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1 ZINC001164955602 722008015 /nfs/dbraw/zinc/00/80/15/722008015.db2.gz XPVZGITUVDPFCP-CPJSRVTESA-N 1 2 450.587 2.434 20 0 JEADLO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1 ZINC001164955601 722008091 /nfs/dbraw/zinc/00/80/91/722008091.db2.gz XPVZGITUVDPFCP-CJFMBICVSA-N 1 2 450.587 2.434 20 0 JEADLO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1 ZINC001164955601 722008096 /nfs/dbraw/zinc/00/80/96/722008096.db2.gz XPVZGITUVDPFCP-CJFMBICVSA-N 1 2 450.587 2.434 20 0 JEADLO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c12 ZINC001165005005 722262122 /nfs/dbraw/zinc/26/21/22/722262122.db2.gz SUISYMUWNYMCIC-QHCPKHFHSA-N 1 2 452.490 2.201 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3cncc(OCc4cccc(Cl)c4)n3)CC2)C1=O ZINC001164644926 719284043 /nfs/dbraw/zinc/28/40/43/719284043.db2.gz WXXQNHBAGIHGGF-UHFFFAOYSA-N 1 2 459.978 2.468 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cncc(OCc4cccc(Cl)c4)n3)CC2)C1=O ZINC001164644926 719284044 /nfs/dbraw/zinc/28/40/44/719284044.db2.gz WXXQNHBAGIHGGF-UHFFFAOYSA-N 1 2 459.978 2.468 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164705195 719843799 /nfs/dbraw/zinc/84/37/99/719843799.db2.gz SSZLKLBAMVXHMS-QFQXNSOFSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1 ZINC001164698380 719853734 /nfs/dbraw/zinc/85/37/34/719853734.db2.gz BVFQIGANGIPYIJ-VVBPWWLESA-N 1 2 478.981 2.412 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(C(=O)N(C)C)n(C3CCCC3)c2n1 ZINC001164706872 719854758 /nfs/dbraw/zinc/85/47/58/719854758.db2.gz ZJTQWIQKCGSOEN-RXFWQSSRSA-N 1 2 498.628 2.481 20 0 JEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705971 719858223 /nfs/dbraw/zinc/85/82/23/719858223.db2.gz VSDHGZYCLICQEK-CWTRNNRKSA-N 1 2 461.346 2.193 20 0 JEADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164706733 719858253 /nfs/dbraw/zinc/85/82/53/719858253.db2.gz YQOJOBPYPGTQRD-VGOFRKELSA-N 1 2 452.983 2.450 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001164698495 719859834 /nfs/dbraw/zinc/85/98/34/719859834.db2.gz CRYDEUCRLLCDBF-NBGIEHNGSA-N 1 2 481.601 2.157 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(C)sc2c(N2CCOCC2)n1 ZINC001164697813 719860127 /nfs/dbraw/zinc/86/01/27/719860127.db2.gz BAFHYPGCZVWDIN-SBUREZEXSA-N 1 2 475.615 2.069 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164707641 719871672 /nfs/dbraw/zinc/87/16/72/719871672.db2.gz USFUQZDCTRZHCS-VMDGZTHMSA-N 1 2 466.888 2.168 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164707642 719871772 /nfs/dbraw/zinc/87/17/72/719871772.db2.gz USFUQZDCTRZHCS-ZNZDAUKMSA-N 1 2 466.888 2.168 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(NC(=O)c2ccccc2)n1 ZINC001164707818 719874931 /nfs/dbraw/zinc/87/49/31/719874931.db2.gz VRQMADHAUXFSGL-YADARESESA-N 1 2 453.543 2.270 20 0 JEADLO O=C([C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21)N1CCCCO1 ZINC001164706252 719912728 /nfs/dbraw/zinc/91/27/28/719912728.db2.gz GLNVUZPIQWIBBX-MQSCRBSSSA-N 1 2 463.582 2.288 20 0 JEADLO O=C([C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21)N1CCCCO1 ZINC001164706252 719912730 /nfs/dbraw/zinc/91/27/30/719912730.db2.gz GLNVUZPIQWIBBX-MQSCRBSSSA-N 1 2 463.582 2.288 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164709769 719916116 /nfs/dbraw/zinc/91/61/16/719916116.db2.gz ZWAJWXYEZHBNCJ-UHFFFAOYSA-N 1 2 486.939 2.140 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164708321 719928100 /nfs/dbraw/zinc/92/81/00/719928100.db2.gz IUOXNPSBKLQYQC-UHFFFAOYSA-N 1 2 453.497 2.106 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164701647 719933198 /nfs/dbraw/zinc/93/31/98/719933198.db2.gz AFNULPXQEFHWIN-UHFFFAOYSA-N 1 2 460.316 2.012 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164708938 719936750 /nfs/dbraw/zinc/93/67/50/719936750.db2.gz VFLHETMYPHUBOI-UHFFFAOYSA-N 1 2 481.988 2.393 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164720571 720237601 /nfs/dbraw/zinc/23/76/01/720237601.db2.gz YKSVEOMKWNEBPE-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164720571 720237607 /nfs/dbraw/zinc/23/76/07/720237607.db2.gz YKSVEOMKWNEBPE-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164718285 720265223 /nfs/dbraw/zinc/26/52/23/720265223.db2.gz DFNBTHZKSLZBMI-OAQYLSRUSA-N 1 2 464.929 2.121 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164718285 720265240 /nfs/dbraw/zinc/26/52/40/720265240.db2.gz DFNBTHZKSLZBMI-OAQYLSRUSA-N 1 2 464.929 2.121 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164724234 720290111 /nfs/dbraw/zinc/29/01/11/720290111.db2.gz ZXEMLTJPOQAPGC-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164724234 720290120 /nfs/dbraw/zinc/29/01/20/720290120.db2.gz ZXEMLTJPOQAPGC-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C2)C1 ZINC001164720848 720304386 /nfs/dbraw/zinc/30/43/86/720304386.db2.gz BDKBQDUMKJPNKW-KRWDZBQOSA-N 1 2 453.317 2.478 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C2)C1 ZINC001164720848 720304393 /nfs/dbraw/zinc/30/43/93/720304393.db2.gz BDKBQDUMKJPNKW-KRWDZBQOSA-N 1 2 453.317 2.478 20 0 JEADLO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826847 720364735 /nfs/dbraw/zinc/36/47/35/720364735.db2.gz ZSIQMWOLASADRE-UHFFFAOYSA-N 1 2 458.588 2.040 20 0 JEADLO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826847 720364739 /nfs/dbraw/zinc/36/47/39/720364739.db2.gz ZSIQMWOLASADRE-UHFFFAOYSA-N 1 2 458.588 2.040 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4nc(C)n5C)CC3)C2=O)cs1 ZINC001164819843 720377234 /nfs/dbraw/zinc/37/72/34/720377234.db2.gz IVSLCSPDYGHPSQ-UHFFFAOYSA-N 1 2 475.022 2.403 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4nc(C)n5C)CC3)C2=O)cs1 ZINC001164819843 720377238 /nfs/dbraw/zinc/37/72/38/720377238.db2.gz IVSLCSPDYGHPSQ-UHFFFAOYSA-N 1 2 475.022 2.403 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)CC3)C2=O)cs1 ZINC001164826952 720386029 /nfs/dbraw/zinc/38/60/29/720386029.db2.gz YYIUFBYNMSUZAE-QGZVFWFLSA-N 1 2 493.033 2.376 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)CC3)C2=O)cs1 ZINC001164826952 720386039 /nfs/dbraw/zinc/38/60/39/720386039.db2.gz YYIUFBYNMSUZAE-QGZVFWFLSA-N 1 2 493.033 2.376 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)CC3)C2=O)cs1 ZINC001164826948 720386237 /nfs/dbraw/zinc/38/62/37/720386237.db2.gz YYIUFBYNMSUZAE-KRWDZBQOSA-N 1 2 493.033 2.376 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)CC3)C2=O)cs1 ZINC001164826948 720386243 /nfs/dbraw/zinc/38/62/43/720386243.db2.gz YYIUFBYNMSUZAE-KRWDZBQOSA-N 1 2 493.033 2.376 20 0 JEADLO CCOC(=O)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1Cl ZINC001164824652 720433429 /nfs/dbraw/zinc/43/34/29/720433429.db2.gz ORRIJJYVZNFQFG-INIZCTEOSA-N 1 2 463.966 2.098 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001164824547 720433869 /nfs/dbraw/zinc/43/38/69/720433869.db2.gz NVHGGQSSLSCOQD-HXUWFJFHSA-N 1 2 482.629 2.330 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Oc3ccccc3)ncn1)C2 ZINC001164825734 720437813 /nfs/dbraw/zinc/43/78/13/720437813.db2.gz UQBHNMJNNPTGKJ-LJQANCHMSA-N 1 2 450.543 2.455 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(NC(=O)OC(C)(C)C)ncn1)C2 ZINC001164825530 720437865 /nfs/dbraw/zinc/43/78/65/720437865.db2.gz RTKBKPCUXUSHMA-KRWDZBQOSA-N 1 2 473.578 2.010 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(Oc3ccccc3)n1)C2 ZINC001164822340 720441561 /nfs/dbraw/zinc/44/15/61/720441561.db2.gz CVVGOPNWQJYHLK-LJQANCHMSA-N 1 2 450.543 2.455 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccnc(NC(=O)OC(C)(C)C)n1)C2 ZINC001164827113 720443759 /nfs/dbraw/zinc/44/37/59/720443759.db2.gz ZEPOFLYNUXTYCM-KRWDZBQOSA-N 1 2 473.578 2.010 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccnc(NC(=O)OC(C)(C)C)n1)C2 ZINC001164827115 720444530 /nfs/dbraw/zinc/44/45/30/720444530.db2.gz ZEPOFLYNUXTYCM-QGZVFWFLSA-N 1 2 473.578 2.010 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001164825760 720451912 /nfs/dbraw/zinc/45/19/12/720451912.db2.gz UVEYGJGCYAPVEY-LJQANCHMSA-N 1 2 457.575 2.223 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164822755 720454145 /nfs/dbraw/zinc/45/41/45/720454145.db2.gz HOACCCKZYKTADU-AWEZNQCLSA-N 1 2 456.925 2.048 20 0 JEADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164822454 720454729 /nfs/dbraw/zinc/45/47/29/720454729.db2.gz FHOYHFCGLUMHBY-QGZVFWFLSA-N 1 2 463.966 2.098 20 0 JEADLO CCOc1ccc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164829850 720456202 /nfs/dbraw/zinc/45/62/02/720456202.db2.gz HHWLKGFTGJKPPA-SFHVURJKSA-N 1 2 452.559 2.215 20 0 JEADLO CCOC(=O)c1cnc(Cl)c(C)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164830223 720457669 /nfs/dbraw/zinc/45/76/69/720457669.db2.gz JMLJOFNOKPNUBH-QGZVFWFLSA-N 1 2 477.993 2.406 20 0 JEADLO CCOC(=O)c1cnc(Cl)c(C)c1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164830220 720458020 /nfs/dbraw/zinc/45/80/20/720458020.db2.gz JMLJOFNOKPNUBH-KRWDZBQOSA-N 1 2 477.993 2.406 20 0 JEADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc(C)c2c1 ZINC001164829671 720459636 /nfs/dbraw/zinc/45/96/36/720459636.db2.gz GNICJRNITQDDHH-SFHVURJKSA-N 1 2 452.559 2.133 20 0 JEADLO CC(C)n1cnc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829909 720464437 /nfs/dbraw/zinc/46/44/37/720464437.db2.gz HPNPKGUSNUXSCF-INIZCTEOSA-N 1 2 474.997 2.247 20 0 JEADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164830246 720467752 /nfs/dbraw/zinc/46/77/52/720467752.db2.gz JXDDLGFORSJIOT-INIZCTEOSA-N 1 2 499.946 2.253 20 0 JEADLO COC(=O)c1ccc2cc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ncc2c1 ZINC001164833148 720467849 /nfs/dbraw/zinc/46/78/49/720467849.db2.gz YZENSNCKKKKAAS-NRFANRHFSA-N 1 2 465.554 2.208 20 0 JEADLO COC(=O)C[C@H](c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1)C1CC1 ZINC001164831285 720469385 /nfs/dbraw/zinc/46/93/85/720469385.db2.gz OGBKYWFNXUGEJU-VXKWHMMOSA-N 1 2 483.613 2.324 20 0 JEADLO COC(=O)C[C@@H](c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1)C1CC1 ZINC001164831281 720469483 /nfs/dbraw/zinc/46/94/83/720469483.db2.gz OGBKYWFNXUGEJU-FCHUYYIVSA-N 1 2 483.613 2.324 20 0 JEADLO COC(=O)C[C@@H](c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1)C1CC1 ZINC001164831283 720470130 /nfs/dbraw/zinc/47/01/30/720470130.db2.gz OGBKYWFNXUGEJU-FGZHOGPDSA-N 1 2 483.613 2.324 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3cccc(F)c3)nn1)C2 ZINC001164830713 720474563 /nfs/dbraw/zinc/47/45/63/720474563.db2.gz LCBULUUYZLATRA-IBGZPJMESA-N 1 2 452.534 2.469 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccccc3F)nn1)C2 ZINC001164829282 720475252 /nfs/dbraw/zinc/47/52/52/720475252.db2.gz FGAFPWSJCDDCMV-GOSISDBHSA-N 1 2 452.534 2.469 20 0 JEADLO Cc1nc(-c2ccncc2)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164830800 720476179 /nfs/dbraw/zinc/47/61/79/720476179.db2.gz MERNUAPHJYLLLB-NRFANRHFSA-N 1 2 463.586 2.342 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001164832591 720483640 /nfs/dbraw/zinc/48/36/40/720483640.db2.gz JVYRQEYPMXWRAO-INIZCTEOSA-N 1 2 465.533 2.436 20 0 JEADLO COC(=O)c1ccc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c(Cl)n1 ZINC001164855312 720895528 /nfs/dbraw/zinc/89/55/28/720895528.db2.gz BDRKTUKFEJEFMM-UHFFFAOYSA-N 1 2 464.860 2.278 20 0 JEADLO CNC(=O)[C@@]12CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164867519 721202700 /nfs/dbraw/zinc/20/27/00/721202700.db2.gz GSASEKRXLSKXJO-HOFKKMOUSA-N 1 2 484.608 2.046 20 0 JEADLO CNC(=O)[C@@]12CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164867519 721202706 /nfs/dbraw/zinc/20/27/06/721202706.db2.gz GSASEKRXLSKXJO-HOFKKMOUSA-N 1 2 484.608 2.046 20 0 JEADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782925 721363819 /nfs/dbraw/zinc/36/38/19/721363819.db2.gz NNMDAPJPPCGMBK-GRMGDBHTSA-N 1 2 491.614 2.115 20 0 JEADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782925 721363824 /nfs/dbraw/zinc/36/38/24/721363824.db2.gz NNMDAPJPPCGMBK-GRMGDBHTSA-N 1 2 491.614 2.115 20 0 JEADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782926 721364100 /nfs/dbraw/zinc/36/41/00/721364100.db2.gz NNMDAPJPPCGMBK-HUBRWUETSA-N 1 2 491.614 2.115 20 0 JEADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782926 721364104 /nfs/dbraw/zinc/36/41/04/721364104.db2.gz NNMDAPJPPCGMBK-HUBRWUETSA-N 1 2 491.614 2.115 20 0 JEADLO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164788554 721455833 /nfs/dbraw/zinc/45/58/33/721455833.db2.gz RHMZVRGPLDUCME-GOSISDBHSA-N 1 2 477.631 2.095 20 0 JEADLO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164788554 721455837 /nfs/dbraw/zinc/45/58/37/721455837.db2.gz RHMZVRGPLDUCME-GOSISDBHSA-N 1 2 477.631 2.095 20 0 JEADLO O=C([C@@H]1CCO[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21)N1CCCO1 ZINC001164793105 721479618 /nfs/dbraw/zinc/47/96/18/721479618.db2.gz SIFHHQRSUPYVBM-PQNGQFLHSA-N 1 2 463.582 2.430 20 0 JEADLO O=C([C@@H]1CCO[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21)N1CCCO1 ZINC001164793105 721479622 /nfs/dbraw/zinc/47/96/22/721479622.db2.gz SIFHHQRSUPYVBM-PQNGQFLHSA-N 1 2 463.582 2.430 20 0 JEADLO O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]12)N1CCCO1 ZINC001164793101 721479637 /nfs/dbraw/zinc/47/96/37/721479637.db2.gz SIFHHQRSUPYVBM-DPLHUUCSSA-N 1 2 463.582 2.430 20 0 JEADLO O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]12)N1CCCO1 ZINC001164793101 721479641 /nfs/dbraw/zinc/47/96/41/721479641.db2.gz SIFHHQRSUPYVBM-DPLHUUCSSA-N 1 2 463.582 2.430 20 0 JEADLO CCOC(=O)C1CCN(c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)CC1 ZINC001165009519 721708512 /nfs/dbraw/zinc/70/85/12/721708512.db2.gz USQFHDYWCRIHLM-UHFFFAOYSA-N 1 2 456.595 2.098 20 0 JEADLO CCOC(=O)C1CCN(c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)CC1 ZINC001165009519 721708518 /nfs/dbraw/zinc/70/85/18/721708518.db2.gz USQFHDYWCRIHLM-UHFFFAOYSA-N 1 2 456.595 2.098 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001165015540 721765161 /nfs/dbraw/zinc/76/51/61/721765161.db2.gz QPFUPARTVFYQRO-UHFFFAOYSA-N 1 2 471.299 2.251 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001165015964 721765326 /nfs/dbraw/zinc/76/53/26/721765326.db2.gz UJKOZKXZRXEWJC-UHFFFAOYSA-N 1 2 471.299 2.251 20 0 JEADLO C[C@@H]1CCCN(C(=O)c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)C1 ZINC001164914648 721793960 /nfs/dbraw/zinc/79/39/60/721793960.db2.gz OVGUJHMYWFWWBP-QFQXNSOFSA-N 1 2 465.598 2.457 20 0 JEADLO C[C@@H]1CCCN(C(=O)c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)C1 ZINC001164914648 721793961 /nfs/dbraw/zinc/79/39/61/721793961.db2.gz OVGUJHMYWFWWBP-QFQXNSOFSA-N 1 2 465.598 2.457 20 0 JEADLO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)cc2C1 ZINC001164948865 721981947 /nfs/dbraw/zinc/98/19/47/721981947.db2.gz MKSZMFFJKMKQGV-HXUWFJFHSA-N 1 2 463.582 2.116 20 0 JEADLO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)cc2C1 ZINC001164948865 721981949 /nfs/dbraw/zinc/98/19/49/721981949.db2.gz MKSZMFFJKMKQGV-HXUWFJFHSA-N 1 2 463.582 2.116 20 0 JEADLO CS(=O)(=O)c1nc(Cl)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961171 722051979 /nfs/dbraw/zinc/05/19/79/722051979.db2.gz TZHWIDAJKJVCKR-UHFFFAOYSA-N 1 2 451.980 2.048 20 0 JEADLO CS(=O)(=O)c1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164961171 722051982 /nfs/dbraw/zinc/05/19/82/722051982.db2.gz TZHWIDAJKJVCKR-UHFFFAOYSA-N 1 2 451.980 2.048 20 0 JEADLO C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)CC3)CC1 ZINC001165001733 722238720 /nfs/dbraw/zinc/23/87/20/722238720.db2.gz KSMGGVDLHMPQTH-UHFFFAOYSA-N 1 2 497.600 2.169 20 0 JEADLO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001165006594 722242482 /nfs/dbraw/zinc/24/24/82/722242482.db2.gz ZUNLUUOWKUSWCK-PXDATVDWSA-N 1 2 472.593 2.351 20 0 JEADLO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001165006594 722242485 /nfs/dbraw/zinc/24/24/85/722242485.db2.gz ZUNLUUOWKUSWCK-PXDATVDWSA-N 1 2 472.593 2.351 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)CC2)C1=O ZINC001164634716 719269871 /nfs/dbraw/zinc/26/98/71/719269871.db2.gz MISPXEKSSNBPQN-UHFFFAOYSA-N 1 2 499.059 2.448 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)CC2)C1=O ZINC001164634716 719269877 /nfs/dbraw/zinc/26/98/77/719269877.db2.gz MISPXEKSSNBPQN-UHFFFAOYSA-N 1 2 499.059 2.448 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)ncc3OCc3ccccc3)CC2)C1=O ZINC001164641103 719274812 /nfs/dbraw/zinc/27/48/12/719274812.db2.gz RYKOXMXBRRPNPW-UHFFFAOYSA-N 1 2 459.978 2.468 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)ncc3OCc3ccccc3)CC2)C1=O ZINC001164641103 719274820 /nfs/dbraw/zinc/27/48/20/719274820.db2.gz RYKOXMXBRRPNPW-UHFFFAOYSA-N 1 2 459.978 2.468 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCCCC3)CC2)C1=O ZINC001164638105 719279563 /nfs/dbraw/zinc/27/95/63/719279563.db2.gz CQKQPWWBBHJNMO-UHFFFAOYSA-N 1 2 452.603 2.380 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCCCC3)CC2)C1=O ZINC001164638105 719279565 /nfs/dbraw/zinc/27/95/65/719279565.db2.gz CQKQPWWBBHJNMO-UHFFFAOYSA-N 1 2 452.603 2.380 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)C1=O ZINC001164644071 719281215 /nfs/dbraw/zinc/28/12/15/719281215.db2.gz BHLJSAOSLGSRCH-UHFFFAOYSA-N 1 2 464.010 2.121 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)C1=O ZINC001164644071 719281218 /nfs/dbraw/zinc/28/12/18/719281218.db2.gz BHLJSAOSLGSRCH-UHFFFAOYSA-N 1 2 464.010 2.121 20 0 JEADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(S(N)(=O)=O)n1)CC2 ZINC001164665407 719356024 /nfs/dbraw/zinc/35/60/24/719356024.db2.gz WQOQEJTUJVXXRY-UHFFFAOYSA-N 1 2 452.584 2.424 20 0 JEADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(S(N)(=O)=O)n1)CC2 ZINC001164665407 719356028 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Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(OCc3ccccc3)cnn1)C2 ZINC001164831777 720459585 /nfs/dbraw/zinc/45/95/85/720459585.db2.gz QFOUECCPQDWLHV-NRFANRHFSA-N 1 2 464.570 2.242 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(C(C)(C)C)nc3[nH]ccc31)C2 ZINC001164833067 720466435 /nfs/dbraw/zinc/46/64/35/720466435.db2.gz XXOCLOVCIQDVKP-KRWDZBQOSA-N 1 2 453.591 2.442 20 0 JEADLO CC1CCN(C(=O)c2cccnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)CC1 ZINC001164832274 720471475 /nfs/dbraw/zinc/47/14/75/720471475.db2.gz SLPSJFICWJRQPY-OAQYLSRUSA-N 1 2 482.629 2.140 20 0 JEADLO COc1ccccc1-c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164832298 720473918 /nfs/dbraw/zinc/47/39/18/720473918.db2.gz SYWWCLAZKXJYLT-LJQANCHMSA-N 1 2 464.570 2.338 20 0 JEADLO CC(C)c1noc(-c2ccnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2)n1 ZINC001164831791 720476143 /nfs/dbraw/zinc/47/61/43/720476143.db2.gz QJYHYBMBDAHLMI-IBGZPJMESA-N 1 2 467.574 2.441 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Oc1ccnc(Cl)c1)C2 ZINC001164830254 720481697 /nfs/dbraw/zinc/48/16/97/720481697.db2.gz AACSFVDDAGSMFW-HNNXBMFYSA-N 1 2 457.909 2.346 20 0 JEADLO CSc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(SC)n1 ZINC001164830980 720482476 /nfs/dbraw/zinc/48/24/76/720482476.db2.gz DOHLRXXDNUMOIB-HNNXBMFYSA-N 1 2 450.634 2.107 20 0 JEADLO CSc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(SC)n1 ZINC001164830982 720482533 /nfs/dbraw/zinc/48/25/33/720482533.db2.gz DOHLRXXDNUMOIB-OAHLLOKOSA-N 1 2 450.634 2.107 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(C(N)=S)c3ccsc31)C2 ZINC001164835106 720484539 /nfs/dbraw/zinc/48/45/39/720484539.db2.gz WVRVQAJIBJHXIE-OAHLLOKOSA-N 1 2 472.640 2.117 20 0 JEADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164857945 720895250 /nfs/dbraw/zinc/89/52/50/720895250.db2.gz LJMLUAMACMPLSA-UHFFFAOYSA-N 1 2 464.860 2.278 20 0 JEADLO CNC(=O)[C@@]12CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164867522 721202823 /nfs/dbraw/zinc/20/28/23/721202823.db2.gz GSASEKRXLSKXJO-KCWPFWIISA-N 1 2 484.608 2.046 20 0 JEADLO CNC(=O)[C@@]12CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164867522 721202827 /nfs/dbraw/zinc/20/28/27/721202827.db2.gz GSASEKRXLSKXJO-KCWPFWIISA-N 1 2 484.608 2.046 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)Oc1cccc(Cl)n1)CC2 ZINC001165014256 721765396 /nfs/dbraw/zinc/76/53/96/721765396.db2.gz FXILDDNSEWYVPQ-UHFFFAOYSA-N 1 2 451.865 2.082 20 0 JEADLO COc1ccc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)c(Cl)n1 ZINC001165016027 721765595 /nfs/dbraw/zinc/76/55/95/721765595.db2.gz VOTZKWYAIUOCGP-UHFFFAOYSA-N 1 2 465.892 2.211 20 0 JEADLO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001165020915 721786399 /nfs/dbraw/zinc/78/63/99/721786399.db2.gz MKMUVVFBGRYZMU-SANMLTNESA-N 1 2 465.598 2.125 20 0 JEADLO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001165020915 721786403 /nfs/dbraw/zinc/78/64/03/721786403.db2.gz MKMUVVFBGRYZMU-SANMLTNESA-N 1 2 465.598 2.125 20 0 JEADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917152 721790447 /nfs/dbraw/zinc/79/04/47/721790447.db2.gz XGHZSMFLSNATHO-AREMUKBSSA-N 1 2 497.596 2.356 20 0 JEADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917152 721790454 /nfs/dbraw/zinc/79/04/54/721790454.db2.gz XGHZSMFLSNATHO-AREMUKBSSA-N 1 2 497.596 2.356 20 0 JEADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCO[C@@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164920207 721830760 /nfs/dbraw/zinc/83/07/60/721830760.db2.gz BVHFAQHOTSEDFO-OIUIXCLQSA-N 1 2 458.584 2.449 20 0 JEADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)C1 ZINC001164951401 721978981 /nfs/dbraw/zinc/97/89/81/721978981.db2.gz YWLTUKOAUCQKSL-JOCHJYFZSA-N 1 2 492.624 2.227 20 0 JEADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)C1 ZINC001164951401 721978986 /nfs/dbraw/zinc/97/89/86/721978986.db2.gz YWLTUKOAUCQKSL-JOCHJYFZSA-N 1 2 492.624 2.227 20 0 JEADLO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC[C@@H]23)cn1 ZINC001164957050 722030702 /nfs/dbraw/zinc/03/07/02/722030702.db2.gz KXBSLFVJQKPTKS-FBLLAGFSSA-N 1 2 487.608 2.040 20 0 JEADLO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC[C@@H]23)cn1 ZINC001164957050 722030704 /nfs/dbraw/zinc/03/07/04/722030704.db2.gz KXBSLFVJQKPTKS-FBLLAGFSSA-N 1 2 487.608 2.040 20 0 JEADLO CC(=O)N1CCC[C@]2(C1)CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001164969503 722083605 /nfs/dbraw/zinc/08/36/05/722083605.db2.gz OUBUVAKWTDTAHT-MHZLTWQESA-N 1 2 477.609 2.257 20 0 JEADLO O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000025514356 563020488 /nfs/dbraw/zinc/02/04/88/563020488.db2.gz AQNYNIZCMUXTEO-HOTGVXAUSA-N 1 2 486.940 2.222 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5CCCO[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421527 718901403 /nfs/dbraw/zinc/90/14/03/718901403.db2.gz TYXVIADSTHCLQA-GHTZIAJQSA-N 1 2 472.659 2.281 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC2)C1=O ZINC001164632812 719270294 /nfs/dbraw/zinc/27/02/94/719270294.db2.gz CWSOBOIOUNNEEP-UHFFFAOYSA-N 1 2 486.016 2.424 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC2)C1=O ZINC001164632812 719270296 /nfs/dbraw/zinc/27/02/96/719270296.db2.gz CWSOBOIOUNNEEP-UHFFFAOYSA-N 1 2 486.016 2.424 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4cc(OC)c(OC)cc4nc3Cl)CC2)C1=O ZINC001164639921 719274990 /nfs/dbraw/zinc/27/49/90/719274990.db2.gz LWTVSAKQGXXEHV-UHFFFAOYSA-N 1 2 463.966 2.060 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4cc(OC)c(OC)cc4nc3Cl)CC2)C1=O ZINC001164639921 719274992 /nfs/dbraw/zinc/27/49/92/719274992.db2.gz LWTVSAKQGXXEHV-UHFFFAOYSA-N 1 2 463.966 2.060 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164705191 719843744 /nfs/dbraw/zinc/84/37/44/719843744.db2.gz SSZLKLBAMVXHMS-HFZDXXHNSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(C)sc2c(N2CCOCC2)n1 ZINC001164697812 719860271 /nfs/dbraw/zinc/86/02/71/719860271.db2.gz BAFHYPGCZVWDIN-HXOBKFHXSA-N 1 2 475.615 2.069 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)Nc2nncs2)cc1Cl ZINC001164705740 719871432 /nfs/dbraw/zinc/87/14/32/719871432.db2.gz OJFGCLDEDWMWHR-XOBRGWDASA-N 1 2 480.978 2.072 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cc(OC)ccc2OC)nn1 ZINC001164708002 719873034 /nfs/dbraw/zinc/87/30/34/719873034.db2.gz XDFRRCQYACGKQM-OSPHWJPCSA-N 1 2 456.543 2.394 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC001164703699 719873319 /nfs/dbraw/zinc/87/33/19/719873319.db2.gz KETCNHIIHJXDGU-NVQXNPDNSA-N 1 2 480.613 2.036 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)c(OC)c2OC)nn1 ZINC001164702366 719874919 /nfs/dbraw/zinc/87/49/19/719874919.db2.gz IOTBMMZYQCLOMF-SSOJOUAXSA-N 1 2 486.569 2.402 20 0 JEADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697076 719897554 /nfs/dbraw/zinc/89/75/54/719897554.db2.gz JGSSEZLYLABOJV-WJOKGBTCSA-N 1 2 464.613 2.324 20 0 JEADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697076 719897555 /nfs/dbraw/zinc/89/75/55/719897555.db2.gz JGSSEZLYLABOJV-WJOKGBTCSA-N 1 2 464.613 2.324 20 0 JEADLO O=C([C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21)N1CCCCO1 ZINC001164706251 719912899 /nfs/dbraw/zinc/91/28/99/719912899.db2.gz GLNVUZPIQWIBBX-FUPPJEDESA-N 1 2 463.582 2.288 20 0 JEADLO O=C([C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21)N1CCCCO1 ZINC001164706251 719912907 /nfs/dbraw/zinc/91/29/07/719912907.db2.gz GLNVUZPIQWIBBX-FUPPJEDESA-N 1 2 463.582 2.288 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164709220 719917677 /nfs/dbraw/zinc/91/76/77/719917677.db2.gz QTJVXBUSYANSJD-UHFFFAOYSA-N 1 2 451.506 2.092 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CC2 ZINC001164708340 719920153 /nfs/dbraw/zinc/92/01/53/719920153.db2.gz JVOXDLGUQGMXJK-UHFFFAOYSA-N 1 2 464.961 2.448 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164708544 719927855 /nfs/dbraw/zinc/92/78/55/719927855.db2.gz KULSFRDUZAEMDH-UHFFFAOYSA-N 1 2 451.962 2.481 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Oc1ccc(Cl)nc1Cl)CC2 ZINC001164708060 719936455 /nfs/dbraw/zinc/93/64/55/719936455.db2.gz BAYFDJKRYONTGQ-UHFFFAOYSA-N 1 2 475.327 2.497 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)nnc(Cl)c1N1CCCCC1)CC2 ZINC001164716291 720049638 /nfs/dbraw/zinc/04/96/38/720049638.db2.gz VKGKIVVVGQOBEN-UHFFFAOYSA-N 1 2 493.443 2.458 20 0 JEADLO O=C([C@@H]1Cn2nccc2CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164817221 720263322 /nfs/dbraw/zinc/26/33/22/720263322.db2.gz PYTYHYWPYWYVEK-NRFANRHFSA-N 1 2 457.582 2.490 20 0 JEADLO O=C([C@@H]1Cn2nccc2CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164817221 720263328 /nfs/dbraw/zinc/26/33/28/720263328.db2.gz PYTYHYWPYWYVEK-NRFANRHFSA-N 1 2 457.582 2.490 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164719956 720265499 /nfs/dbraw/zinc/26/54/99/720265499.db2.gz QBHKYUURUUNXAO-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164719956 720265515 /nfs/dbraw/zinc/26/55/15/720265515.db2.gz QBHKYUURUUNXAO-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164721293 720267889 /nfs/dbraw/zinc/26/78/89/720267889.db2.gz JDSKSLHWPXYLRV-OAQYLSRUSA-N 1 2 464.929 2.121 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164721293 720267901 /nfs/dbraw/zinc/26/79/01/720267901.db2.gz JDSKSLHWPXYLRV-OAQYLSRUSA-N 1 2 464.929 2.121 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C2)C1 ZINC001164722340 720302707 /nfs/dbraw/zinc/30/27/07/720302707.db2.gz KOWVZXVZYTVKFR-QFIPXVFZSA-N 1 2 452.983 2.355 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C2)C1 ZINC001164722340 720302716 /nfs/dbraw/zinc/30/27/16/720302716.db2.gz KOWVZXVZYTVKFR-QFIPXVFZSA-N 1 2 452.983 2.355 20 0 JEADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820682 720373127 /nfs/dbraw/zinc/37/31/27/720373127.db2.gz QOLNVHORLVZKBH-UHFFFAOYSA-N 1 2 473.599 2.345 20 0 JEADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820682 720373140 /nfs/dbraw/zinc/37/31/40/720373140.db2.gz QOLNVHORLVZKBH-UHFFFAOYSA-N 1 2 473.599 2.345 20 0 JEADLO CCCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820297 720378700 /nfs/dbraw/zinc/37/87/00/720378700.db2.gz NKARHMBVSZJPSF-UHFFFAOYSA-N 1 2 456.616 2.300 20 0 JEADLO CCCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820297 720378708 /nfs/dbraw/zinc/37/87/08/720378708.db2.gz NKARHMBVSZJPSF-UHFFFAOYSA-N 1 2 456.616 2.300 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4CN(C)CC5)CC3)C2=O)cs1 ZINC001164822916 720384473 /nfs/dbraw/zinc/38/44/73/720384473.db2.gz NBBXTTJMRQDULB-UHFFFAOYSA-N 1 2 476.050 2.196 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4CN(C)CC5)CC3)C2=O)cs1 ZINC001164822916 720384479 /nfs/dbraw/zinc/38/44/79/720384479.db2.gz NBBXTTJMRQDULB-UHFFFAOYSA-N 1 2 476.050 2.196 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3[nH]cc(Cl)c31)C2 ZINC001164827548 720428901 /nfs/dbraw/zinc/42/89/01/720428901.db2.gz SXIXPAOEYMAGOE-ZDUSSCGKSA-N 1 2 466.373 2.451 20 0 JEADLO CCOC(=O)c1c(Cl)cc(C)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829111 720432295 /nfs/dbraw/zinc/43/22/95/720432295.db2.gz ZXVPREVVHRZZHE-KRWDZBQOSA-N 1 2 477.993 2.406 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001164823436 720436597 /nfs/dbraw/zinc/43/65/97/720436597.db2.gz JSUGXGAXKMUNNG-LJQANCHMSA-N 1 2 457.575 2.223 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164827008 720441263 /nfs/dbraw/zinc/44/12/63/720441263.db2.gz YFTJNHQSGUECDR-OAHLLOKOSA-N 1 2 457.909 2.346 20 0 JEADLO COC(=O)c1ccc2c(ccnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164824632 720446875 /nfs/dbraw/zinc/44/68/75/720446875.db2.gz OHBGNHLUVGNMIP-FQEVSTJZSA-N 1 2 465.554 2.208 20 0 JEADLO COC(=O)c1ccc2c(ccnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164824634 720447645 /nfs/dbraw/zinc/44/76/45/720447645.db2.gz OHBGNHLUVGNMIP-HXUWFJFHSA-N 1 2 465.554 2.208 20 0 JEADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c(Cl)nc2c1 ZINC001164826408 720447699 /nfs/dbraw/zinc/44/76/99/720447699.db2.gz WFMSZTAJTQKJSU-INIZCTEOSA-N 1 2 472.977 2.478 20 0 JEADLO CSc1nc2c(c(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)n1)CCCC2 ZINC001164823414 720448570 /nfs/dbraw/zinc/44/85/70/720448570.db2.gz JIYCRRYFANGMQX-QGZVFWFLSA-N 1 2 458.632 2.263 20 0 JEADLO CCOC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164824681 720451516 /nfs/dbraw/zinc/45/15/16/720451516.db2.gz PJYLGWATSRPJDV-QGZVFWFLSA-N 1 2 477.993 2.406 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164822757 720454719 /nfs/dbraw/zinc/45/47/19/720454719.db2.gz HOACCCKZYKTADU-CQSZACIVSA-N 1 2 456.925 2.048 20 0 JEADLO COC(=O)c1cc2ccccc2nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833162 720461891 /nfs/dbraw/zinc/46/18/91/720461891.db2.gz ZDJTTWKZGAPMBP-IBGZPJMESA-N 1 2 465.554 2.208 20 0 JEADLO CCOC(=O)c1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164833242 720465496 /nfs/dbraw/zinc/46/54/96/720465496.db2.gz ZNSCAFKTYAPCGW-MRXNPFEDSA-N 1 2 463.966 2.098 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc(OCc3ccccc3)cn1)C2 ZINC001164830203 720465708 /nfs/dbraw/zinc/46/57/08/720465708.db2.gz JJPQPVHJQNIRHL-NRFANRHFSA-N 1 2 464.570 2.242 20 0 JEADLO CCc1cc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)[nH]1 ZINC001164832702 720466443 /nfs/dbraw/zinc/46/64/43/720466443.db2.gz VVSOUNYPGVNWCD-OAHLLOKOSA-N 1 2 459.982 2.360 20 0 JEADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829848 720470723 /nfs/dbraw/zinc/47/07/23/720470723.db2.gz HGPZFTGNMXUVDD-OAHLLOKOSA-N 1 2 499.946 2.253 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3sc4c(c31)CCC4)C2 ZINC001164832699 720470904 /nfs/dbraw/zinc/47/09/04/720470904.db2.gz VVIRONPCAMIFBB-INIZCTEOSA-N 1 2 454.600 2.366 20 0 JEADLO CC1CCN(C(=O)c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2)CC1 ZINC001164831799 720470969 /nfs/dbraw/zinc/47/09/69/720470969.db2.gz QVERPMXQPAPBHD-JOCHJYFZSA-N 1 2 482.629 2.140 20 0 JEADLO COc1ccc(-c2cc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ncn2)cc1 ZINC001164829767 720473132 /nfs/dbraw/zinc/47/31/32/720473132.db2.gz GYWIJSNSRGKCGK-HXUWFJFHSA-N 1 2 464.570 2.338 20 0 JEADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c(C)nc2c1 ZINC001164829305 720473525 /nfs/dbraw/zinc/47/35/25/720473525.db2.gz FLAKMKGQOXCXEM-GOSISDBHSA-N 1 2 452.559 2.133 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccc(F)cc3)nn1)C2 ZINC001164829328 720474252 /nfs/dbraw/zinc/47/42/52/720474252.db2.gz FRAZAUPCHYGJHY-IBGZPJMESA-N 1 2 452.534 2.469 20 0 JEADLO COC(=O)c1cccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ccc21 ZINC001164833186 720476840 /nfs/dbraw/zinc/47/68/40/720476840.db2.gz NECPEPHNOMJGMS-SFHVURJKSA-N 1 2 465.554 2.208 20 0 JEADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164832212 720477724 /nfs/dbraw/zinc/47/77/24/720477724.db2.gz JFXPGVNJRCQRBT-OAQYLSRUSA-N 1 2 491.596 2.223 20 0 JEADLO Cc1nc(C)c(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)s1 ZINC001164830923 720478221 /nfs/dbraw/zinc/47/82/21/720478221.db2.gz CLOBVLFAIHNJBM-GOSISDBHSA-N 1 2 469.615 2.403 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(OCC3CCCC3)n1)C2 ZINC001164831516 720480865 /nfs/dbraw/zinc/48/08/65/720480865.db2.gz HAXKAOBKGQBIOY-HXUWFJFHSA-N 1 2 456.591 2.232 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(OCC3CCCC3)n1)C2 ZINC001164831514 720481017 /nfs/dbraw/zinc/48/10/17/720481017.db2.gz HAXKAOBKGQBIOY-FQEVSTJZSA-N 1 2 456.591 2.232 20 0 JEADLO COc1cc(C)c2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164834135 720483755 /nfs/dbraw/zinc/48/37/55/720483755.db2.gz RXLGOSVXSZZDLS-GOSISDBHSA-N 1 2 452.559 2.133 20 0 JEADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164739864 720741382 /nfs/dbraw/zinc/74/13/82/720741382.db2.gz JBGXNGIYNPNAKA-PZJWPPBQSA-N 1 2 496.593 2.413 20 0 JEADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164739864 720741389 /nfs/dbraw/zinc/74/13/89/720741389.db2.gz JBGXNGIYNPNAKA-PZJWPPBQSA-N 1 2 496.593 2.413 20 0 JEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164859999 720895584 /nfs/dbraw/zinc/89/55/84/720895584.db2.gz RSWWEBMPZXBFSZ-UHFFFAOYSA-N 1 2 476.919 2.487 20 0 JEADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cnc1Cl ZINC001164855943 720896590 /nfs/dbraw/zinc/89/65/90/720896590.db2.gz DMMGLLPIENFGDP-UHFFFAOYSA-N 1 2 498.943 2.285 20 0 JEADLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164758391 721023971 /nfs/dbraw/zinc/02/39/71/721023971.db2.gz ILYDDBPXYRUXQP-FQEVSTJZSA-N 1 2 471.569 2.062 20 0 JEADLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164758391 721023976 /nfs/dbraw/zinc/02/39/76/721023976.db2.gz ILYDDBPXYRUXQP-FQEVSTJZSA-N 1 2 471.569 2.062 20 0 JEADLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164862064 721035085 /nfs/dbraw/zinc/03/50/85/721035085.db2.gz LSKYKXMVDXWLFL-MUUNZHRXSA-N 1 2 497.603 2.274 20 0 JEADLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164862064 721035088 /nfs/dbraw/zinc/03/50/88/721035088.db2.gz LSKYKXMVDXWLFL-MUUNZHRXSA-N 1 2 497.603 2.274 20 0 JEADLO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)c1ccnnc1 ZINC001164877267 721320651 /nfs/dbraw/zinc/32/06/51/721320651.db2.gz KUIDLKWSCSFASS-OPXMRZJTSA-N 1 2 485.592 2.239 20 0 JEADLO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)c1ccnnc1 ZINC001164877267 721320655 /nfs/dbraw/zinc/32/06/55/721320655.db2.gz KUIDLKWSCSFASS-OPXMRZJTSA-N 1 2 485.592 2.239 20 0 JEADLO COc1cc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)cc(Cl)n1 ZINC001165015180 721765202 /nfs/dbraw/zinc/76/52/02/721765202.db2.gz NGUMCPFQWRQEFK-UHFFFAOYSA-N 1 2 465.892 2.211 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001165017017 721766005 /nfs/dbraw/zinc/76/60/05/721766005.db2.gz ZLCIBZHWYOOYAF-UHFFFAOYSA-N 1 2 453.856 2.342 20 0 JEADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1OCC ZINC001164916022 721781783 /nfs/dbraw/zinc/78/17/83/721781783.db2.gz NWOHPMPLRCNLJQ-DEOSSOPVSA-N 1 2 456.543 2.160 20 0 JEADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1OCC ZINC001164916022 721781788 /nfs/dbraw/zinc/78/17/88/721781788.db2.gz NWOHPMPLRCNLJQ-DEOSSOPVSA-N 1 2 456.543 2.160 20 0 JEADLO Cc1cc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc(N3CCOCC3)c2s1 ZINC001164917488 721788196 /nfs/dbraw/zinc/78/81/96/721788196.db2.gz XPUIOPMTYXZVLF-RUZDIDTESA-N 1 2 496.637 2.339 20 0 JEADLO Cc1cc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc(N3CCOCC3)c2s1 ZINC001164917488 721788206 /nfs/dbraw/zinc/78/82/06/721788206.db2.gz XPUIOPMTYXZVLF-RUZDIDTESA-N 1 2 496.637 2.339 20 0 JEADLO C[C@H]1CCCN(C(=O)c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)C1 ZINC001164914647 721793833 /nfs/dbraw/zinc/79/38/33/721793833.db2.gz OVGUJHMYWFWWBP-LVXARBLLSA-N 1 2 465.598 2.457 20 0 JEADLO C[C@H]1CCCN(C(=O)c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)C1 ZINC001164914647 721793836 /nfs/dbraw/zinc/79/38/36/721793836.db2.gz OVGUJHMYWFWWBP-LVXARBLLSA-N 1 2 465.598 2.457 20 0 JEADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914423 721795211 /nfs/dbraw/zinc/79/52/11/721795211.db2.gz NFJNDQGGLZKZDP-DEOSSOPVSA-N 1 2 489.642 2.051 20 0 JEADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914423 721795216 /nfs/dbraw/zinc/79/52/16/721795216.db2.gz NFJNDQGGLZKZDP-DEOSSOPVSA-N 1 2 489.642 2.051 20 0 JEADLO Clc1nnc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1N1CCOCC1 ZINC001164914383 721801776 /nfs/dbraw/zinc/80/17/76/721801776.db2.gz MTKXJGHKDIQOFD-JOCHJYFZSA-N 1 2 495.411 2.123 20 0 JEADLO Clc1nnc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1N1CCOCC1 ZINC001164914383 721801777 /nfs/dbraw/zinc/80/17/77/721801777.db2.gz MTKXJGHKDIQOFD-JOCHJYFZSA-N 1 2 495.411 2.123 20 0 JEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(-c5cc6c([nH]5)CCNC6=O)cc[nH+]4)CCO3)C2)cs1 ZINC001164922130 721827097 /nfs/dbraw/zinc/82/70/97/721827097.db2.gz DKDKRYGMZMFQMM-VWLOTQADSA-N 1 2 494.621 2.235 20 0 JEADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164920205 721830781 /nfs/dbraw/zinc/83/07/81/721830781.db2.gz BVHFAQHOTSEDFO-NVIZVJJSSA-N 1 2 458.584 2.449 20 0 JEADLO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949877 721969120 /nfs/dbraw/zinc/96/91/20/721969120.db2.gz ZFQKEVYYKDYGFK-UHFFFAOYSA-N 1 2 455.584 2.346 20 0 JEADLO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949877 721969122 /nfs/dbraw/zinc/96/91/22/721969122.db2.gz ZFQKEVYYKDYGFK-UHFFFAOYSA-N 1 2 455.584 2.346 20 0 JEADLO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164951237 721981993 /nfs/dbraw/zinc/98/19/93/721981993.db2.gz YNNKHDZEXDOPFG-UHFFFAOYSA-N 1 2 456.978 2.241 20 0 JEADLO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164951237 721981994 /nfs/dbraw/zinc/98/19/94/721981994.db2.gz YNNKHDZEXDOPFG-UHFFFAOYSA-N 1 2 456.978 2.241 20 0 JEADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@@H]12 ZINC001164958647 722036156 /nfs/dbraw/zinc/03/61/56/722036156.db2.gz PEICFGJULQVADE-BGWNEDDSSA-N 1 2 458.566 2.007 20 0 JEADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@@H]12 ZINC001164958647 722036157 /nfs/dbraw/zinc/03/61/57/722036157.db2.gz PEICFGJULQVADE-BGWNEDDSSA-N 1 2 458.566 2.007 20 0 JEADLO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001165006597 722242566 /nfs/dbraw/zinc/24/25/66/722242566.db2.gz ZUNLUUOWKUSWCK-SQJMNOBHSA-N 1 2 472.593 2.351 20 0 JEADLO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001165006597 722242570 /nfs/dbraw/zinc/24/25/70/722242570.db2.gz ZUNLUUOWKUSWCK-SQJMNOBHSA-N 1 2 472.593 2.351 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@H]5CCCO[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421530 718901054 /nfs/dbraw/zinc/90/10/54/718901054.db2.gz TYXVIADSTHCLQA-WIYYLYMNSA-N 1 2 472.659 2.281 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC2)C1=O ZINC001164632777 719270938 /nfs/dbraw/zinc/27/09/38/719270938.db2.gz CGVXUQNJFHNGIT-UHFFFAOYSA-N 1 2 474.780 2.139 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC2)C1=O ZINC001164632777 719270939 /nfs/dbraw/zinc/27/09/39/719270939.db2.gz CGVXUQNJFHNGIT-UHFFFAOYSA-N 1 2 474.780 2.139 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)CC2)C1=O ZINC001164641110 719276121 /nfs/dbraw/zinc/27/61/21/719276121.db2.gz SBLUTJNRJCFAKS-UHFFFAOYSA-N 1 2 451.999 2.023 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)CC2)C1=O ZINC001164641110 719276123 /nfs/dbraw/zinc/27/61/23/719276123.db2.gz SBLUTJNRJCFAKS-UHFFFAOYSA-N 1 2 451.999 2.023 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC2)C1=O ZINC001164644110 719284034 /nfs/dbraw/zinc/28/40/34/719284034.db2.gz DEMLCTGUXNIXFQ-UHFFFAOYSA-N 1 2 475.924 2.131 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC2)C1=O ZINC001164644110 719284035 /nfs/dbraw/zinc/28/40/35/719284035.db2.gz DEMLCTGUXNIXFQ-UHFFFAOYSA-N 1 2 475.924 2.131 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)CC2)C1=O ZINC001164644247 719284096 /nfs/dbraw/zinc/28/40/96/719284096.db2.gz FLVYRXJSQAKCEA-UHFFFAOYSA-N 1 2 467.614 2.452 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)CC2)C1=O ZINC001164644247 719284099 /nfs/dbraw/zinc/28/40/99/719284099.db2.gz FLVYRXJSQAKCEA-UHFFFAOYSA-N 1 2 467.614 2.452 20 0 JEADLO CCn1nnc2c1[C@@H](COC)CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164662725 719361333 /nfs/dbraw/zinc/36/13/33/719361333.db2.gz FNJCMPLLCLKRHM-OAQYLSRUSA-N 1 2 475.597 2.401 20 0 JEADLO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2c1 ZINC001164706574 719841888 /nfs/dbraw/zinc/84/18/88/719841888.db2.gz XUYGGYBHVJMTFF-IVZQSRNASA-N 1 2 462.934 2.303 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164705197 719843878 /nfs/dbraw/zinc/84/38/78/719843878.db2.gz SSZLKLBAMVXHMS-RLWLMLJZSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164701112 719851390 /nfs/dbraw/zinc/85/13/90/719851390.db2.gz JJGWBIUZDMNINH-LVXARBLLSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164701112 719851391 /nfs/dbraw/zinc/85/13/91/719851391.db2.gz JJGWBIUZDMNINH-LVXARBLLSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1 ZINC001164698379 719853779 /nfs/dbraw/zinc/85/37/79/719853779.db2.gz BVFQIGANGIPYIJ-MCFFVMPBSA-N 1 2 478.981 2.412 20 0 JEADLO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2N1C1CCCC1 ZINC001164704761 719854190 /nfs/dbraw/zinc/85/41/90/719854190.db2.gz SOXSYFDCRYIGME-RQBNJVACSA-N 1 2 486.617 2.189 20 0 JEADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164700478 719854229 /nfs/dbraw/zinc/85/42/29/719854229.db2.gz HLEIOUJRCQPOHX-XCLFUZPHSA-N 1 2 472.995 2.261 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(C(=O)N(C)C)n(C3CCCC3)c2n1 ZINC001164706870 719854406 /nfs/dbraw/zinc/85/44/06/719854406.db2.gz ZJTQWIQKCGSOEN-FQRUVTKNSA-N 1 2 498.628 2.481 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1C(=O)NC(C)(C)C ZINC001164704053 719858184 /nfs/dbraw/zinc/85/81/84/719858184.db2.gz QQRGGPVYLUMMHD-QRQCRPRQSA-N 1 2 452.983 2.496 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NC(C)(C)C)cc(Cl)n1 ZINC001164703424 719858369 /nfs/dbraw/zinc/85/83/69/719858369.db2.gz PSNSYMBPRWZMHP-KSFYIVLOSA-N 1 2 452.983 2.496 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cc(OC)ccc2OC)nn1 ZINC001164708003 719872802 /nfs/dbraw/zinc/87/28/02/719872802.db2.gz XDFRRCQYACGKQM-XDHUDOTRSA-N 1 2 456.543 2.394 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cc(OC)ccc2OC)nn1 ZINC001164708001 719872948 /nfs/dbraw/zinc/87/29/48/719872948.db2.gz XDFRRCQYACGKQM-MZNJEOGPSA-N 1 2 456.543 2.394 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC001164703693 719873309 /nfs/dbraw/zinc/87/33/09/719873309.db2.gz KETCNHIIHJXDGU-BKMJKUGQSA-N 1 2 480.613 2.036 20 0 JEADLO CC(C)n1ccc2c1nc(Cl)nc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708812 719920494 /nfs/dbraw/zinc/92/04/94/719920494.db2.gz RWUFANGOCCFEHP-UHFFFAOYSA-N 1 2 456.982 2.349 20 0 JEADLO CCc1nc2sc3c(c2c(N2CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C2)n1)CCC3 ZINC001164708748 719922120 /nfs/dbraw/zinc/92/21/20/719922120.db2.gz OODTXRHNEYMOKH-UHFFFAOYSA-N 1 2 465.627 2.426 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164702406 719935091 /nfs/dbraw/zinc/93/50/91/719935091.db2.gz FWOOBYSOZDTTTF-UHFFFAOYSA-N 1 2 460.316 2.012 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C2)C1 ZINC001164717218 720222238 /nfs/dbraw/zinc/22/22/38/720222238.db2.gz GRFGJEHAUBPWQJ-AREMUKBSSA-N 1 2 499.059 2.353 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C2)C1 ZINC001164717218 720222247 /nfs/dbraw/zinc/22/22/47/720222247.db2.gz GRFGJEHAUBPWQJ-AREMUKBSSA-N 1 2 499.059 2.353 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164719765 720225716 /nfs/dbraw/zinc/22/57/16/720225716.db2.gz TZBCKLQLSOIURS-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164719765 720225723 /nfs/dbraw/zinc/22/57/23/720225723.db2.gz TZBCKLQLSOIURS-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3OCc3ccccc3)C2)C1 ZINC001164720435 720253034 /nfs/dbraw/zinc/25/30/34/720253034.db2.gz VVYJBWBQFXFOBC-QHCPKHFHSA-N 1 2 459.978 2.374 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3OCc3ccccc3)C2)C1 ZINC001164720435 720253041 /nfs/dbraw/zinc/25/30/41/720253041.db2.gz VVYJBWBQFXFOBC-QHCPKHFHSA-N 1 2 459.978 2.374 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3OCc3ccccc3)C2)C1 ZINC001164720434 720253680 /nfs/dbraw/zinc/25/36/80/720253680.db2.gz VVYJBWBQFXFOBC-HSZRJFAPSA-N 1 2 459.978 2.374 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3OCc3ccccc3)C2)C1 ZINC001164720434 720253693 /nfs/dbraw/zinc/25/36/93/720253693.db2.gz VVYJBWBQFXFOBC-HSZRJFAPSA-N 1 2 459.978 2.374 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164718282 720264568 /nfs/dbraw/zinc/26/45/68/720264568.db2.gz DFNBTHZKSLZBMI-NRFANRHFSA-N 1 2 464.929 2.121 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164718282 720264583 /nfs/dbraw/zinc/26/45/83/720264583.db2.gz DFNBTHZKSLZBMI-NRFANRHFSA-N 1 2 464.929 2.121 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C2)C1 ZINC001164721245 720289299 /nfs/dbraw/zinc/28/92/99/720289299.db2.gz IMQPPLQFTPFVHU-QHCPKHFHSA-N 1 2 464.010 2.072 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)NC4CCCC4)cc3Cl)C2)C1 ZINC001164721245 720289308 /nfs/dbraw/zinc/28/93/08/720289308.db2.gz IMQPPLQFTPFVHU-QHCPKHFHSA-N 1 2 464.010 2.072 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C2)C1 ZINC001164723989 720311689 /nfs/dbraw/zinc/31/16/89/720311689.db2.gz PXIJOIILENEDRS-GOSISDBHSA-N 1 2 474.965 2.035 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C2)C1 ZINC001164723989 720311702 /nfs/dbraw/zinc/31/17/02/720311702.db2.gz PXIJOIILENEDRS-GOSISDBHSA-N 1 2 474.965 2.035 20 0 JEADLO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1 ZINC001164724949 720319749 /nfs/dbraw/zinc/31/97/49/720319749.db2.gz SWOMTYLCLYDXIG-ZTCOLXNVSA-N 1 2 465.598 2.266 20 0 JEADLO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1 ZINC001164724949 720319754 /nfs/dbraw/zinc/31/97/54/720319754.db2.gz SWOMTYLCLYDXIG-ZTCOLXNVSA-N 1 2 465.598 2.266 20 0 JEADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820546 720371458 /nfs/dbraw/zinc/37/14/58/720371458.db2.gz PTSSTXLETNDMPS-UHFFFAOYSA-N 1 2 493.033 2.314 20 0 JEADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820546 720371466 /nfs/dbraw/zinc/37/14/66/720371466.db2.gz PTSSTXLETNDMPS-UHFFFAOYSA-N 1 2 493.033 2.314 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(OCc3ccccc3)n1)C2 ZINC001164822706 720439410 /nfs/dbraw/zinc/43/94/10/720439410.db2.gz GSDHDRWZORCBED-OAQYLSRUSA-N 1 2 464.570 2.242 20 0 JEADLO COC(=O)c1ccc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164822298 720450243 /nfs/dbraw/zinc/45/02/43/720450243.db2.gz CNPQYVIROWSLJI-HNNXBMFYSA-N 1 2 499.946 2.253 20 0 JEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164828937 720457054 /nfs/dbraw/zinc/45/70/54/720457054.db2.gz CJXGBLNCBCSQKO-CQSZACIVSA-N 1 2 499.399 2.146 20 0 JEADLO COc1cccc2nc(Cl)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164829194 720457577 /nfs/dbraw/zinc/45/75/77/720457577.db2.gz DJIDZVSBLRPJAS-INIZCTEOSA-N 1 2 472.977 2.478 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(OCc3ccccc3)cnn1)C2 ZINC001164831778 720458557 /nfs/dbraw/zinc/45/85/57/720458557.db2.gz QFOUECCPQDWLHV-OAQYLSRUSA-N 1 2 464.570 2.242 20 0 JEADLO COC(=O)c1cc2ccccc2nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833164 720462525 /nfs/dbraw/zinc/46/25/25/720462525.db2.gz ZDJTTWKZGAPMBP-LJQANCHMSA-N 1 2 465.554 2.208 20 0 JEADLO COc1cccc(Oc2cncc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)n2)c1 ZINC001164831769 720464424 /nfs/dbraw/zinc/46/44/24/720464424.db2.gz QAOHNIUWLMJAEZ-IBGZPJMESA-N 1 2 480.569 2.464 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(C(C)(C)C)nc3[nH]ccc31)C2 ZINC001164833068 720467311 /nfs/dbraw/zinc/46/73/11/720467311.db2.gz XXOCLOVCIQDVKP-QGZVFWFLSA-N 1 2 453.591 2.442 20 0 JEADLO C[C@H]1CCCN(C(=O)c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2)C1 ZINC001164830697 720470611 /nfs/dbraw/zinc/47/06/11/720470611.db2.gz KYBREBDITUNSFK-RBBKRZOGSA-N 1 2 482.629 2.140 20 0 JEADLO COc1ccccc1-c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164832643 720471521 /nfs/dbraw/zinc/47/15/21/720471521.db2.gz URZFWIRECKVQLR-IBGZPJMESA-N 1 2 464.570 2.338 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164831275 720472235 /nfs/dbraw/zinc/47/22/35/720472235.db2.gz ODILXFKUDYFCNC-HNNXBMFYSA-N 1 2 482.963 2.350 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001164829889 720472239 /nfs/dbraw/zinc/47/22/39/720472239.db2.gz HNXSGKZYWBXACU-FQEVSTJZSA-N 1 2 492.580 2.101 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164831277 720472586 /nfs/dbraw/zinc/47/25/86/720472586.db2.gz ODILXFKUDYFCNC-OAHLLOKOSA-N 1 2 482.963 2.350 20 0 JEADLO COC(=O)c1cc2ccccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830756 720474125 /nfs/dbraw/zinc/47/41/25/720474125.db2.gz LSQWNJIELFKEGV-IBGZPJMESA-N 1 2 465.554 2.208 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(N3CCCCCC3)n1)C2 ZINC001164833082 720476509 /nfs/dbraw/zinc/47/65/09/720476509.db2.gz YHMOGFHSNIRUPQ-HXUWFJFHSA-N 1 2 455.607 2.043 20 0 JEADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164739861 720741935 /nfs/dbraw/zinc/74/19/35/720741935.db2.gz JBGXNGIYNPNAKA-CTNGQTDRSA-N 1 2 496.593 2.413 20 0 JEADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164739861 720741942 /nfs/dbraw/zinc/74/19/42/720741942.db2.gz JBGXNGIYNPNAKA-CTNGQTDRSA-N 1 2 496.593 2.413 20 0 JEADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164739865 720741967 /nfs/dbraw/zinc/74/19/67/720741967.db2.gz JBGXNGIYNPNAKA-TZIWHRDSSA-N 1 2 496.593 2.413 20 0 JEADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164739865 720741979 /nfs/dbraw/zinc/74/19/79/720741979.db2.gz JBGXNGIYNPNAKA-TZIWHRDSSA-N 1 2 496.593 2.413 20 0 JEADLO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164757575 720989074 /nfs/dbraw/zinc/98/90/74/720989074.db2.gz PELYUNHTCRQUCH-JTAQYXEDSA-N 1 2 450.587 2.147 20 0 JEADLO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164757575 720989085 /nfs/dbraw/zinc/98/90/85/720989085.db2.gz PELYUNHTCRQUCH-JTAQYXEDSA-N 1 2 450.587 2.147 20 0 JEADLO O=C1COC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)CN1c1cncnc1 ZINC001164862696 721037988 /nfs/dbraw/zinc/03/79/88/721037988.db2.gz OTLBFQAVOOKIBO-UHFFFAOYSA-N 1 2 471.565 2.227 20 0 JEADLO O=C1COC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)CN1c1cncnc1 ZINC001164862696 721037997 /nfs/dbraw/zinc/03/79/97/721037997.db2.gz OTLBFQAVOOKIBO-UHFFFAOYSA-N 1 2 471.565 2.227 20 0 JEADLO O=C(N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)c1cnccn1 ZINC001164866439 721210487 /nfs/dbraw/zinc/21/04/87/721210487.db2.gz ALBFEFPOHQJCJZ-IDISGSTGSA-N 1 2 485.592 2.383 20 0 JEADLO O=C(N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)c1cnccn1 ZINC001164866439 721210496 /nfs/dbraw/zinc/21/04/96/721210496.db2.gz ALBFEFPOHQJCJZ-IDISGSTGSA-N 1 2 485.592 2.383 20 0 JEADLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)c1ccnnc1 ZINC001164877264 721320825 /nfs/dbraw/zinc/32/08/25/721320825.db2.gz KUIDLKWSCSFASS-BUUDZMLXSA-N 1 2 485.592 2.239 20 0 JEADLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)c1ccnnc1 ZINC001164877264 721320831 /nfs/dbraw/zinc/32/08/31/721320831.db2.gz KUIDLKWSCSFASS-BUUDZMLXSA-N 1 2 485.592 2.239 20 0 JEADLO COc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(S(C)(=O)=O)n1 ZINC001164908072 721705412 /nfs/dbraw/zinc/70/54/12/721705412.db2.gz VBCPXHFAZIWYCH-IBGZPJMESA-N 1 2 453.515 2.021 20 0 JEADLO COc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(S(C)(=O)=O)n1 ZINC001164908072 721705415 /nfs/dbraw/zinc/70/54/15/721705415.db2.gz VBCPXHFAZIWYCH-IBGZPJMESA-N 1 2 453.515 2.021 20 0 JEADLO CC(C)(C)OC(=O)Nc1nccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913309 721776809 /nfs/dbraw/zinc/77/68/09/721776809.db2.gz WBULXJKIAKFBCT-QHCPKHFHSA-N 1 2 456.547 2.326 20 0 JEADLO CC(C)(C)OC(=O)Nc1nccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913309 721776812 /nfs/dbraw/zinc/77/68/12/721776812.db2.gz WBULXJKIAKFBCT-QHCPKHFHSA-N 1 2 456.547 2.326 20 0 JEADLO CCOC(=O)c1cc2cccnc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916748 721782820 /nfs/dbraw/zinc/78/28/20/721782820.db2.gz SZRUTUXUZVHNJM-VWLOTQADSA-N 1 2 463.538 2.309 20 0 JEADLO CCOC(=O)c1cc2cccnc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916748 721782823 /nfs/dbraw/zinc/78/28/23/721782823.db2.gz SZRUTUXUZVHNJM-VWLOTQADSA-N 1 2 463.538 2.309 20 0 JEADLO CN(C)c1nc(-c2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914144 721787541 /nfs/dbraw/zinc/78/75/41/721787541.db2.gz CDGWDRNEZXVCRG-VWLOTQADSA-N 1 2 461.570 2.107 20 0 JEADLO CN(C)c1nc(-c2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914144 721787544 /nfs/dbraw/zinc/78/75/44/721787544.db2.gz CDGWDRNEZXVCRG-VWLOTQADSA-N 1 2 461.570 2.107 20 0 JEADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914425 721795564 /nfs/dbraw/zinc/79/55/64/721795564.db2.gz NFJNDQGGLZKZDP-XMMPIXPASA-N 1 2 489.642 2.051 20 0 JEADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914425 721795565 /nfs/dbraw/zinc/79/55/65/721795565.db2.gz NFJNDQGGLZKZDP-XMMPIXPASA-N 1 2 489.642 2.051 20 0 JEADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164915292 721795675 /nfs/dbraw/zinc/79/56/75/721795675.db2.gz VRBYIEATPYKFQH-DEOSSOPVSA-N 1 2 489.642 2.051 20 0 JEADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164915292 721795678 /nfs/dbraw/zinc/79/56/78/721795678.db2.gz VRBYIEATPYKFQH-DEOSSOPVSA-N 1 2 489.642 2.051 20 0 JEADLO Clc1nc2c(Cl)ncnc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914494 721798696 /nfs/dbraw/zinc/79/86/96/721798696.db2.gz ODXIFQMJBUTIPY-FQEVSTJZSA-N 1 2 462.341 2.229 20 0 JEADLO Clc1nc2c(Cl)ncnc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914494 721798700 /nfs/dbraw/zinc/79/87/00/721798700.db2.gz ODXIFQMJBUTIPY-FQEVSTJZSA-N 1 2 462.341 2.229 20 0 JEADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)C1 ZINC001164917809 721819592 /nfs/dbraw/zinc/81/95/92/721819592.db2.gz HVARKXUXPXIKQP-LJQANCHMSA-N 1 2 453.591 2.202 20 0 JEADLO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC[C@H]23)cn1 ZINC001164957052 722030908 /nfs/dbraw/zinc/03/09/08/722030908.db2.gz KXBSLFVJQKPTKS-HWBMXIPRSA-N 1 2 487.608 2.040 20 0 JEADLO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC[C@H]23)cn1 ZINC001164957052 722030909 /nfs/dbraw/zinc/03/09/09/722030909.db2.gz KXBSLFVJQKPTKS-HWBMXIPRSA-N 1 2 487.608 2.040 20 0 JEADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@H]12 ZINC001164958653 722036189 /nfs/dbraw/zinc/03/61/89/722036189.db2.gz PEICFGJULQVADE-KIFXHHALSA-N 1 2 458.566 2.007 20 0 JEADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2COC[C@H]12 ZINC001164958653 722036192 /nfs/dbraw/zinc/03/61/92/722036192.db2.gz PEICFGJULQVADE-KIFXHHALSA-N 1 2 458.566 2.007 20 0 JEADLO O=C(NC[C@H]1Cn2ccnc2CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1)c1ccnnc1 ZINC001165002007 722241144 /nfs/dbraw/zinc/24/11/44/722241144.db2.gz ARUFISJIMXJXSC-NRFANRHFSA-N 1 2 495.591 2.088 20 0 JEADLO O=C(NC[C@H]1Cn2ccnc2CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1)c1ccnnc1 ZINC001165002007 722241149 /nfs/dbraw/zinc/24/11/49/722241149.db2.gz ARUFISJIMXJXSC-NRFANRHFSA-N 1 2 495.591 2.088 20 0 JEADLO O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000025514352 563020472 /nfs/dbraw/zinc/02/04/72/563020472.db2.gz AQNYNIZCMUXTEO-CVEARBPZSA-N 1 2 486.940 2.222 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4CCC5(C[C@@H]5CCO)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164393698 718811208 /nfs/dbraw/zinc/81/12/08/718811208.db2.gz TVYRWSITBNLBTM-IBGZPJMESA-N 1 2 486.686 2.264 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC2)C1=O ZINC001164636537 719271635 /nfs/dbraw/zinc/27/16/35/719271635.db2.gz VFEXJEUCIJZMJS-UHFFFAOYSA-N 1 2 485.032 2.405 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC2)C1=O ZINC001164636537 719271636 /nfs/dbraw/zinc/27/16/36/719271636.db2.gz VFEXJEUCIJZMJS-UHFFFAOYSA-N 1 2 485.032 2.405 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)OCc4ccccc4)cn3)CC2)C1=O ZINC001164644672 719281511 /nfs/dbraw/zinc/28/15/11/719281511.db2.gz PPJDNPCGDYZLMX-UHFFFAOYSA-N 1 2 452.555 2.198 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)OCc4ccccc4)cn3)CC2)C1=O ZINC001164644672 719281514 /nfs/dbraw/zinc/28/15/14/719281514.db2.gz PPJDNPCGDYZLMX-UHFFFAOYSA-N 1 2 452.555 2.198 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC2)C1=O ZINC001164644060 719281567 /nfs/dbraw/zinc/28/15/67/719281567.db2.gz AULMULXEQMCQNH-UHFFFAOYSA-N 1 2 450.543 2.353 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC2)C1=O ZINC001164644060 719281571 /nfs/dbraw/zinc/28/15/71/719281571.db2.gz AULMULXEQMCQNH-UHFFFAOYSA-N 1 2 450.543 2.353 20 0 JEADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164660501 719354530 /nfs/dbraw/zinc/35/45/30/719354530.db2.gz UJLSOYDORTVUPN-UHFFFAOYSA-N 1 2 452.584 2.424 20 0 JEADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164660501 719354532 /nfs/dbraw/zinc/35/45/32/719354532.db2.gz UJLSOYDORTVUPN-UHFFFAOYSA-N 1 2 452.584 2.424 20 0 JEADLO CCn1nnc2c1[C@H](COC)CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164662724 719361244 /nfs/dbraw/zinc/36/12/44/719361244.db2.gz FNJCMPLLCLKRHM-NRFANRHFSA-N 1 2 475.597 2.401 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)NCc1ccccc1 ZINC001164700380 719842220 /nfs/dbraw/zinc/84/22/20/719842220.db2.gz JVCWHQSACUYUEI-NBGIEHNGSA-N 1 2 452.555 2.244 20 0 JEADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164700469 719853946 /nfs/dbraw/zinc/85/39/46/719853946.db2.gz HLEIOUJRCQPOHX-RBZFPXEDSA-N 1 2 472.995 2.261 20 0 JEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705969 719858380 /nfs/dbraw/zinc/85/83/80/719858380.db2.gz VSDHGZYCLICQEK-BLVKFPJESA-N 1 2 461.346 2.193 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC001164707235 719868784 /nfs/dbraw/zinc/86/87/84/719868784.db2.gz RQYKPAPJVZFPJP-GJZUVCINSA-N 1 2 480.613 2.036 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)cc2OC)nn1 ZINC001164699903 719872856 /nfs/dbraw/zinc/87/28/56/719872856.db2.gz CSMDHBZHIZMGCS-XDHUDOTRSA-N 1 2 456.543 2.394 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC001164703690 719873216 /nfs/dbraw/zinc/87/32/16/719873216.db2.gz KETCNHIIHJXDGU-ATIYNZHBSA-N 1 2 480.613 2.036 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC001164703696 719873503 /nfs/dbraw/zinc/87/35/03/719873503.db2.gz KETCNHIIHJXDGU-GJZUVCINSA-N 1 2 480.613 2.036 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 ZINC001164705025 719875142 /nfs/dbraw/zinc/87/51/42/719875142.db2.gz NBLLFMMILILQJC-ATIYNZHBSA-N 1 2 481.597 2.213 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(N(C)Cc2ccc(OC)cc2)n1 ZINC001164705747 719876295 /nfs/dbraw/zinc/87/62/95/719876295.db2.gz OLGDSWLGPNNBOO-NBGIEHNGSA-N 1 2 469.586 2.354 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164708930 719915879 /nfs/dbraw/zinc/91/58/79/719915879.db2.gz NTLNAONFTDJPQN-UHFFFAOYSA-N 1 2 486.939 2.140 20 0 JEADLO Cc1nc2sc3c(c2c(N2CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C2)n1)CCC3 ZINC001164708599 719921451 /nfs/dbraw/zinc/92/14/51/719921451.db2.gz MIZHOUWWUOGWFO-UHFFFAOYSA-N 1 2 451.600 2.172 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CC2 ZINC001164715780 720049619 /nfs/dbraw/zinc/04/96/19/720049619.db2.gz UJLADDSESGNEDG-UHFFFAOYSA-N 1 2 473.792 2.382 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164718423 720222728 /nfs/dbraw/zinc/22/27/28/720222728.db2.gz LKOJENVHCDGHBD-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164718423 720222738 /nfs/dbraw/zinc/22/27/38/720222738.db2.gz LKOJENVHCDGHBD-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO O=C([C@H]1Cn2nccc2CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164817223 720262417 /nfs/dbraw/zinc/26/24/17/720262417.db2.gz PYTYHYWPYWYVEK-OAQYLSRUSA-N 1 2 457.582 2.490 20 0 JEADLO O=C([C@H]1Cn2nccc2CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164817223 720262425 /nfs/dbraw/zinc/26/24/25/720262425.db2.gz PYTYHYWPYWYVEK-OAQYLSRUSA-N 1 2 457.582 2.490 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)COC(=O)Nc3cccnc3Cl)C2)C1 ZINC001164726154 720304894 /nfs/dbraw/zinc/30/48/94/720304894.db2.gz YDVUVTCGSYEKSA-LJQANCHMSA-N 1 2 475.924 2.037 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)COC(=O)Nc3cccnc3Cl)C2)C1 ZINC001164726154 720304899 /nfs/dbraw/zinc/30/48/99/720304899.db2.gz YDVUVTCGSYEKSA-LJQANCHMSA-N 1 2 475.924 2.037 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nnc(Cl)c3N3CCCCC3)C2)C1 ZINC001164724604 720311050 /nfs/dbraw/zinc/31/10/50/720311050.db2.gz RYKVNMMZTYPMAR-NRFANRHFSA-N 1 2 471.433 2.439 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nnc(Cl)c3N3CCCCC3)C2)C1 ZINC001164724604 720311056 /nfs/dbraw/zinc/31/10/56/720311056.db2.gz RYKVNMMZTYPMAR-NRFANRHFSA-N 1 2 471.433 2.439 20 0 JEADLO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823089 720357646 /nfs/dbraw/zinc/35/76/46/720357646.db2.gz AJDLBYOOSXDDGZ-UHFFFAOYSA-N 1 2 490.655 2.453 20 0 JEADLO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823089 720357656 /nfs/dbraw/zinc/35/76/56/720357656.db2.gz AJDLBYOOSXDDGZ-UHFFFAOYSA-N 1 2 490.655 2.453 20 0 JEADLO CCOC(=O)Cc1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826528 720361389 /nfs/dbraw/zinc/36/13/89/720361389.db2.gz WTQIJQYTBIONHP-UHFFFAOYSA-N 1 2 457.600 2.265 20 0 JEADLO CCOC(=O)Cc1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826528 720361398 /nfs/dbraw/zinc/36/13/98/720361398.db2.gz WTQIJQYTBIONHP-UHFFFAOYSA-N 1 2 457.600 2.265 20 0 JEADLO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820354 720369115 /nfs/dbraw/zinc/36/91/15/720369115.db2.gz ODZSUXKIDZOYIP-UHFFFAOYSA-N 1 2 461.563 2.394 20 0 JEADLO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820354 720369120 /nfs/dbraw/zinc/36/91/20/720369120.db2.gz ODZSUXKIDZOYIP-UHFFFAOYSA-N 1 2 461.563 2.394 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)CC3)C2=O)cs1 ZINC001164821171 720371593 /nfs/dbraw/zinc/37/15/93/720371593.db2.gz YXJUBXDPZCMATF-UHFFFAOYSA-N 1 2 460.991 2.308 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)CC3)C2=O)cs1 ZINC001164821171 720371596 /nfs/dbraw/zinc/37/15/96/720371596.db2.gz YXJUBXDPZCMATF-UHFFFAOYSA-N 1 2 460.991 2.308 20 0 JEADLO CNC(=O)c1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ccc1Cl ZINC001164819298 720374639 /nfs/dbraw/zinc/37/46/39/720374639.db2.gz BGZJASQMXHNASL-UHFFFAOYSA-N 1 2 463.007 2.173 20 0 JEADLO CNC(=O)c1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ccc1Cl ZINC001164819298 720374644 /nfs/dbraw/zinc/37/46/44/720374644.db2.gz BGZJASQMXHNASL-UHFFFAOYSA-N 1 2 463.007 2.173 20 0 JEADLO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)cc2C1 ZINC001164820111 720379815 /nfs/dbraw/zinc/37/98/15/720379815.db2.gz LIOSQIGXTRWOMT-UHFFFAOYSA-N 1 2 499.641 2.069 20 0 JEADLO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)cc2C1 ZINC001164820111 720379823 /nfs/dbraw/zinc/37/98/23/720379823.db2.gz LIOSQIGXTRWOMT-UHFFFAOYSA-N 1 2 499.641 2.069 20 0 JEADLO CCOC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828528 720427279 /nfs/dbraw/zinc/42/72/79/720427279.db2.gz WUXZPINDRPKAOI-QGZVFWFLSA-N 1 2 463.966 2.098 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Oc3ccccc3)ncn1)C2 ZINC001164825731 720438151 /nfs/dbraw/zinc/43/81/51/720438151.db2.gz UQBHNMJNNPTGKJ-IBGZPJMESA-N 1 2 450.543 2.455 20 0 JEADLO Cc1nc(Cl)cc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824101 720438592 /nfs/dbraw/zinc/43/85/92/720438592.db2.gz LVMPRAXCXPDBIE-OAHLLOKOSA-N 1 2 456.925 2.169 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164826442 720442410 /nfs/dbraw/zinc/44/24/10/720442410.db2.gz WOOKRWHKPZBHAQ-HNNXBMFYSA-N 1 2 457.909 2.346 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001164824161 720442418 /nfs/dbraw/zinc/44/24/18/720442418.db2.gz NAYTWYDFTDLUMT-OAHLLOKOSA-N 1 2 462.982 2.081 20 0 JEADLO COC(=O)c1ccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ccc2c1 ZINC001164825165 720446909 /nfs/dbraw/zinc/44/69/09/720446909.db2.gz QJPGLHGBDYVJPY-FQEVSTJZSA-N 1 2 465.554 2.208 20 0 JEADLO COC(=O)c1ccc2ccnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164827084 720447246 /nfs/dbraw/zinc/44/72/46/720447246.db2.gz YZCWAZQQPBEZPI-FQEVSTJZSA-N 1 2 465.554 2.208 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(OCc3ccccc3)n1)C2 ZINC001164827117 720450986 /nfs/dbraw/zinc/45/09/86/720450986.db2.gz ZEVWGTCIXZZLIA-NRFANRHFSA-N 1 2 464.570 2.242 20 0 JEADLO CCOC(=O)c1cc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2s1 ZINC001164832684 720462270 /nfs/dbraw/zinc/46/22/70/720462270.db2.gz VOXFXNJYCRROCF-MRXNPFEDSA-N 1 2 486.598 2.054 20 0 JEADLO COC(=O)C[C@H](c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1)C1CC1 ZINC001164831287 720470156 /nfs/dbraw/zinc/47/01/56/720470156.db2.gz OGBKYWFNXUGEJU-YADHBBJMSA-N 1 2 483.613 2.324 20 0 JEADLO COc1ccc(-c2cc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ncn2)cc1 ZINC001164829765 720474234 /nfs/dbraw/zinc/47/42/34/720474234.db2.gz GYWIJSNSRGKCGK-FQEVSTJZSA-N 1 2 464.570 2.338 20 0 JEADLO CC(C)c1noc(-c2ccnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2)n1 ZINC001164831792 720476366 /nfs/dbraw/zinc/47/63/66/720476366.db2.gz QJYHYBMBDAHLMI-LJQANCHMSA-N 1 2 467.574 2.441 20 0 JEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001164856805 720895890 /nfs/dbraw/zinc/89/58/90/720895890.db2.gz GVOZIWGTQRLNEK-UHFFFAOYSA-N 1 2 458.860 2.435 20 0 JEADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001164757341 720977975 /nfs/dbraw/zinc/97/79/75/720977975.db2.gz OIEVITYTHRIJRV-CYBMUJFWSA-N 1 2 461.922 2.187 20 0 JEADLO O=C(NCc1cnc2n1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2)c1ccno1 ZINC001164769303 721268295 /nfs/dbraw/zinc/26/82/95/721268295.db2.gz XKCDYYXWWIKRIO-UHFFFAOYSA-N 1 2 470.537 2.170 20 0 JEADLO O=C(NCc1cnc2n1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2)c1ccno1 ZINC001164769303 721268297 /nfs/dbraw/zinc/26/82/97/721268297.db2.gz XKCDYYXWWIKRIO-UHFFFAOYSA-N 1 2 470.537 2.170 20 0 JEADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778429 721338500 /nfs/dbraw/zinc/33/85/00/721338500.db2.gz WGVDCDDZCOIBDV-HSZRJFAPSA-N 1 2 454.531 2.420 20 0 JEADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778429 721338502 /nfs/dbraw/zinc/33/85/02/721338502.db2.gz WGVDCDDZCOIBDV-HSZRJFAPSA-N 1 2 454.531 2.420 20 0 JEADLO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164788555 721455660 /nfs/dbraw/zinc/45/56/60/721455660.db2.gz RHMZVRGPLDUCME-SFHVURJKSA-N 1 2 477.631 2.095 20 0 JEADLO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164788555 721455661 /nfs/dbraw/zinc/45/56/61/721455661.db2.gz RHMZVRGPLDUCME-SFHVURJKSA-N 1 2 477.631 2.095 20 0 JEADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)C1 ZINC001165009404 721714060 /nfs/dbraw/zinc/71/40/60/721714060.db2.gz UBECIQBUWGBAMD-GOSISDBHSA-N 1 2 456.595 2.098 20 0 JEADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)C1 ZINC001165009404 721714065 /nfs/dbraw/zinc/71/40/65/721714065.db2.gz UBECIQBUWGBAMD-GOSISDBHSA-N 1 2 456.595 2.098 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)Oc1ccc(Cl)nc1)CC2 ZINC001165015221 721765381 /nfs/dbraw/zinc/76/53/81/721765381.db2.gz OEHNHWFRUUCLCY-UHFFFAOYSA-N 1 2 451.865 2.082 20 0 JEADLO O=C([C@@H]1C[C@]2(CO1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2)N1CCOCC1 ZINC001165017079 721774879 /nfs/dbraw/zinc/77/48/79/721774879.db2.gz QTOVTZGMZKETII-RPLLCQBOSA-N 1 2 477.609 2.269 20 0 JEADLO O=C([C@@H]1C[C@]2(CO1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2)N1CCOCC1 ZINC001165017079 721774883 /nfs/dbraw/zinc/77/48/83/721774883.db2.gz QTOVTZGMZKETII-RPLLCQBOSA-N 1 2 477.609 2.269 20 0 JEADLO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001165020914 721786175 /nfs/dbraw/zinc/78/61/75/721786175.db2.gz MKMUVVFBGRYZMU-AREMUKBSSA-N 1 2 465.598 2.125 20 0 JEADLO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001165020914 721786179 /nfs/dbraw/zinc/78/61/79/721786179.db2.gz MKMUVVFBGRYZMU-AREMUKBSSA-N 1 2 465.598 2.125 20 0 JEADLO CC1CCN(C(=O)c2cccnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)CC1 ZINC001164915249 721794174 /nfs/dbraw/zinc/79/41/74/721794174.db2.gz USJRJIOIQSOJFE-SANMLTNESA-N 1 2 465.598 2.457 20 0 JEADLO CC1CCN(C(=O)c2cccnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001164915249 721794179 /nfs/dbraw/zinc/79/41/79/721794179.db2.gz USJRJIOIQSOJFE-SANMLTNESA-N 1 2 465.598 2.457 20 0 JEADLO FC(F)(COc1cncc(Cl)n1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913896 721795612 /nfs/dbraw/zinc/79/56/12/721795612.db2.gz IKMAMORQNZPSRL-LJQANCHMSA-N 1 2 455.893 2.100 20 0 JEADLO FC(F)(COc1cncc(Cl)n1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913896 721795615 /nfs/dbraw/zinc/79/56/15/721795615.db2.gz IKMAMORQNZPSRL-LJQANCHMSA-N 1 2 455.893 2.100 20 0 JEADLO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)CC1 ZINC001164917718 721817023 /nfs/dbraw/zinc/81/70/23/721817023.db2.gz HAMWLZXATQQLIG-UHFFFAOYSA-N 1 2 453.591 2.202 20 0 JEADLO COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164920203 721830719 /nfs/dbraw/zinc/83/07/19/721830719.db2.gz BVHFAQHOTSEDFO-CHFIUFFRSA-N 1 2 458.584 2.449 20 0 JEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164944990 721970438 /nfs/dbraw/zinc/97/04/38/721970438.db2.gz MCPTWCNTIZKKLN-UHFFFAOYSA-N 1 2 478.622 2.499 20 0 JEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164944990 721970441 /nfs/dbraw/zinc/97/04/41/721970441.db2.gz MCPTWCNTIZKKLN-UHFFFAOYSA-N 1 2 478.622 2.499 20 0 JEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CC2 ZINC001164947098 721978145 /nfs/dbraw/zinc/97/81/45/721978145.db2.gz NURAVCCHUCDVSO-UHFFFAOYSA-N 1 2 483.638 2.227 20 0 JEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CC2 ZINC001164947098 721978150 /nfs/dbraw/zinc/97/81/50/721978150.db2.gz NURAVCCHUCDVSO-UHFFFAOYSA-N 1 2 483.638 2.227 20 0 JEADLO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164951050 721978877 /nfs/dbraw/zinc/97/88/77/721978877.db2.gz XCMUVISYGCZPSE-UHFFFAOYSA-N 1 2 485.654 2.377 20 0 JEADLO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164951050 721978879 /nfs/dbraw/zinc/97/88/79/721978879.db2.gz XCMUVISYGCZPSE-UHFFFAOYSA-N 1 2 485.654 2.377 20 0 JEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncccc1S(=O)(=O)N1CCCCC1)CC2 ZINC001164949978 721980245 /nfs/dbraw/zinc/98/02/45/721980245.db2.gz RXRZILDZYUWEQQ-UHFFFAOYSA-N 1 2 483.638 2.227 20 0 JEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncccc1S(=O)(=O)N1CCCCC1)CC2 ZINC001164949978 721980247 /nfs/dbraw/zinc/98/02/47/721980247.db2.gz RXRZILDZYUWEQQ-UHFFFAOYSA-N 1 2 483.638 2.227 20 0 JEADLO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC[C@@H]32)cn1 ZINC001164957057 722030753 /nfs/dbraw/zinc/03/07/53/722030753.db2.gz KXBSLFVJQKPTKS-SLSDLSHTSA-N 1 2 487.608 2.040 20 0 JEADLO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC[C@@H]32)cn1 ZINC001164957057 722030756 /nfs/dbraw/zinc/03/07/56/722030756.db2.gz KXBSLFVJQKPTKS-SLSDLSHTSA-N 1 2 487.608 2.040 20 0 JEADLO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC[C@H]32)cn1 ZINC001164957055 722030887 /nfs/dbraw/zinc/03/08/87/722030887.db2.gz KXBSLFVJQKPTKS-RQTOMXEWSA-N 1 2 487.608 2.040 20 0 JEADLO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC[C@H]32)cn1 ZINC001164957055 722030890 /nfs/dbraw/zinc/03/08/90/722030890.db2.gz KXBSLFVJQKPTKS-RQTOMXEWSA-N 1 2 487.608 2.040 20 0 JEADLO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c12 ZINC001165005002 722262109 /nfs/dbraw/zinc/26/21/09/722262109.db2.gz SUISYMUWNYMCIC-HSZRJFAPSA-N 1 2 452.490 2.201 20 0 JEADLO O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000025514360 563020465 /nfs/dbraw/zinc/02/04/65/563020465.db2.gz AQNYNIZCMUXTEO-HZPDHXFCSA-N 1 2 486.940 2.222 20 0 JEADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)cnc1Cl ZINC001164690600 719758399 /nfs/dbraw/zinc/75/83/99/719758399.db2.gz FTDWTGHCPJBLQI-UHFFFAOYSA-N 1 2 464.966 2.254 20 0 JEADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)cnc1Cl ZINC001164690600 719758417 /nfs/dbraw/zinc/75/84/17/719758417.db2.gz FTDWTGHCPJBLQI-UHFFFAOYSA-N 1 2 464.966 2.254 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)NCc1ccccc1 ZINC001164700381 719842453 /nfs/dbraw/zinc/84/24/53/719842453.db2.gz JVCWHQSACUYUEI-NLFFAJNJSA-N 1 2 452.555 2.244 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164705193 719843963 /nfs/dbraw/zinc/84/39/63/719843963.db2.gz SSZLKLBAMVXHMS-LVXARBLLSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164706633 719862836 /nfs/dbraw/zinc/86/28/36/719862836.db2.gz YGAMNGUTVZWNCK-UPCLLVRISA-N 1 2 476.574 2.086 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc3c(c2)OCCO3)nn1 ZINC001164707966 719869218 /nfs/dbraw/zinc/86/92/18/719869218.db2.gz WWJCUMHERVFNKA-HOYKHHGWSA-N 1 2 454.527 2.148 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)c(OC)c2OC)nn1 ZINC001164702363 719875221 /nfs/dbraw/zinc/87/52/21/719875221.db2.gz IOTBMMZYQCLOMF-GKVSMKOHSA-N 1 2 486.569 2.402 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164709470 719910276 /nfs/dbraw/zinc/91/02/76/719910276.db2.gz VMSDZBBGQCVMJW-UHFFFAOYSA-N 1 2 451.962 2.481 20 0 JEADLO O=C([C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21)N1CCCCO1 ZINC001164706254 719912344 /nfs/dbraw/zinc/91/23/44/719912344.db2.gz GLNVUZPIQWIBBX-QZNHQXDQSA-N 1 2 463.582 2.288 20 0 JEADLO O=C([C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21)N1CCCCO1 ZINC001164706254 719912363 /nfs/dbraw/zinc/91/23/63/719912363.db2.gz GLNVUZPIQWIBBX-QZNHQXDQSA-N 1 2 463.582 2.288 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001164709151 719917107 /nfs/dbraw/zinc/91/71/07/719917107.db2.gz ZPNRYANYZMRLFY-UHFFFAOYSA-N 1 2 491.930 2.392 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164708264 719922334 /nfs/dbraw/zinc/92/23/34/719922334.db2.gz GRXORIUZOHJFKP-UHFFFAOYSA-N 1 2 455.563 2.112 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164708804 719923660 /nfs/dbraw/zinc/92/36/60/719923660.db2.gz RLMKNMKWKNHFOS-UHFFFAOYSA-N 1 2 474.594 2.437 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164708294 719928482 /nfs/dbraw/zinc/92/84/82/719928482.db2.gz HRBOGXZCVKGRQN-UHFFFAOYSA-N 1 2 464.545 2.484 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164708309 719936310 /nfs/dbraw/zinc/93/63/10/719936310.db2.gz IKRIGUAZGRHUQM-UHFFFAOYSA-N 1 2 463.611 2.453 20 0 JEADLO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001164711964 720072901 /nfs/dbraw/zinc/07/29/01/720072901.db2.gz OJUMBFXDHBDJQV-BJKOFHAPSA-N 1 2 485.592 2.157 20 0 JEADLO O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)N1CCCC1 ZINC001164712380 720080912 /nfs/dbraw/zinc/08/09/12/720080912.db2.gz PGJUOBXSBZRJNJ-BFLUCZKCSA-N 1 2 477.609 2.410 20 0 JEADLO O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)N1CCCC1 ZINC001164712380 720080921 /nfs/dbraw/zinc/08/09/21/720080921.db2.gz PGJUOBXSBZRJNJ-BFLUCZKCSA-N 1 2 477.609 2.410 20 0 JEADLO O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)N1CCCC1 ZINC001164712385 720081516 /nfs/dbraw/zinc/08/15/16/720081516.db2.gz PGJUOBXSBZRJNJ-MZKUHISZSA-N 1 2 477.609 2.410 20 0 JEADLO O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)N1CCCC1 ZINC001164712385 720081523 /nfs/dbraw/zinc/08/15/23/720081523.db2.gz PGJUOBXSBZRJNJ-MZKUHISZSA-N 1 2 477.609 2.410 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164720076 720216796 /nfs/dbraw/zinc/21/67/96/720216796.db2.gz VRCYQMYRRRBRGN-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164720076 720216801 /nfs/dbraw/zinc/21/68/01/720216801.db2.gz VRCYQMYRRRBRGN-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C2)C1 ZINC001164719774 720231375 /nfs/dbraw/zinc/23/13/75/720231375.db2.gz UCEPXVIAONGVHY-RUZDIDTESA-N 1 2 485.032 2.311 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C2)C1 ZINC001164719774 720231388 /nfs/dbraw/zinc/23/13/88/720231388.db2.gz UCEPXVIAONGVHY-RUZDIDTESA-N 1 2 485.032 2.311 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C2)C1 ZINC001164719777 720232160 /nfs/dbraw/zinc/23/21/60/720232160.db2.gz UCEPXVIAONGVHY-VWLOTQADSA-N 1 2 485.032 2.311 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C2)C1 ZINC001164719777 720232171 /nfs/dbraw/zinc/23/21/71/720232171.db2.gz UCEPXVIAONGVHY-VWLOTQADSA-N 1 2 485.032 2.311 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C2)C1 ZINC001164723232 720280725 /nfs/dbraw/zinc/28/07/25/720280725.db2.gz UZHVKHVFKXSUGU-NRFANRHFSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C2)C1 ZINC001164723232 720280732 /nfs/dbraw/zinc/28/07/32/720280732.db2.gz UZHVKHVFKXSUGU-NRFANRHFSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)C2)C1 ZINC001164724613 720302388 /nfs/dbraw/zinc/30/23/88/720302388.db2.gz SCRCJDHZOOUCLH-SANMLTNESA-N 1 2 467.614 2.358 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)C2)C1 ZINC001164724613 720302397 /nfs/dbraw/zinc/30/23/97/720302397.db2.gz SCRCJDHZOOUCLH-SANMLTNESA-N 1 2 467.614 2.358 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164722779 720306721 /nfs/dbraw/zinc/30/67/21/720306721.db2.gz LJLIZNSJGMMGGH-KRWDZBQOSA-N 1 2 453.317 2.478 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164722779 720306727 /nfs/dbraw/zinc/30/67/27/720306727.db2.gz LJLIZNSJGMMGGH-KRWDZBQOSA-N 1 2 453.317 2.478 20 0 JEADLO Cc1nc(CN2CCN(C)C3(CCN(c4nc(N5CCCC5)c(C)c[nH+]4)CC3)C2=O)cs1 ZINC001164827377 720356761 /nfs/dbraw/zinc/35/67/61/720356761.db2.gz LHGXSHAQRBJGEA-UHFFFAOYSA-N 1 2 455.632 2.463 20 0 JEADLO COC(=O)c1c[nH]c2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ccc12 ZINC001164823154 720364522 /nfs/dbraw/zinc/36/45/22/720364522.db2.gz BHXMQACTLSVJGT-UHFFFAOYSA-N 1 2 468.583 2.428 20 0 JEADLO COC(=O)c1c[nH]c2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ccc12 ZINC001164823154 720364533 /nfs/dbraw/zinc/36/45/33/720364533.db2.gz BHXMQACTLSVJGT-UHFFFAOYSA-N 1 2 468.583 2.428 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc[nH]c5nc(=S)sc4-5)CC3)C2=O)cs1 ZINC001164820759 720378021 /nfs/dbraw/zinc/37/80/21/720378021.db2.gz TZXAVPAFVZVYCZ-UHFFFAOYSA-N 1 2 461.642 2.453 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc[nH]c5nc(=S)sc4-5)CC3)C2=O)cs1 ZINC001164820759 720378026 /nfs/dbraw/zinc/37/80/26/720378026.db2.gz TZXAVPAFVZVYCZ-UHFFFAOYSA-N 1 2 461.642 2.453 20 0 JEADLO CCCNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164820767 720380078 /nfs/dbraw/zinc/38/00/78/720380078.db2.gz UKAUPZARIGPVQJ-UHFFFAOYSA-N 1 2 456.616 2.300 20 0 JEADLO CCCNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164820767 720380084 /nfs/dbraw/zinc/38/00/84/720380084.db2.gz UKAUPZARIGPVQJ-UHFFFAOYSA-N 1 2 456.616 2.300 20 0 JEADLO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826918 720383107 /nfs/dbraw/zinc/38/31/07/720383107.db2.gz YOOLQUUWVHYQKN-UHFFFAOYSA-N 1 2 472.615 2.294 20 0 JEADLO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826918 720383109 /nfs/dbraw/zinc/38/31/09/720383109.db2.gz YOOLQUUWVHYQKN-UHFFFAOYSA-N 1 2 472.615 2.294 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN([C@H](F)Oc4ccc(Cl)nn4)CC3)C2=O)cs1 ZINC001164821804 720386134 /nfs/dbraw/zinc/38/61/34/720386134.db2.gz IRGAOTRDTIMCQN-SFHVURJKSA-N 1 2 454.959 2.336 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN([C@H](F)Oc4ccc(Cl)nn4)CC3)C2=O)cs1 ZINC001164821804 720386143 /nfs/dbraw/zinc/38/61/43/720386143.db2.gz IRGAOTRDTIMCQN-SFHVURJKSA-N 1 2 454.959 2.336 20 0 JEADLO CCOC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828527 720428142 /nfs/dbraw/zinc/42/81/42/720428142.db2.gz WUXZPINDRPKAOI-KRWDZBQOSA-N 1 2 463.966 2.098 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001164824546 720433017 /nfs/dbraw/zinc/43/30/17/720433017.db2.gz NVHGGQSSLSCOQD-FQEVSTJZSA-N 1 2 482.629 2.330 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(=O)NCc1ccccc1)C2 ZINC001164822765 720434463 /nfs/dbraw/zinc/43/44/63/720434463.db2.gz HRBLHQCARGSGEV-QFIPXVFZSA-N 1 2 490.608 2.198 20 0 JEADLO Cc1nc(Cl)cc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824099 720438103 /nfs/dbraw/zinc/43/81/03/720438103.db2.gz LVMPRAXCXPDBIE-HNNXBMFYSA-N 1 2 456.925 2.169 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CSC3)C2 ZINC001164822817 720441983 /nfs/dbraw/zinc/44/19/83/720441983.db2.gz INIGZNJUHZNVTD-CQSZACIVSA-N 1 2 450.996 2.063 20 0 JEADLO CCOC(=O)c1c(C)cc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826438 720444253 /nfs/dbraw/zinc/44/42/53/720444253.db2.gz WLRNVMMGZDTIQC-QGZVFWFLSA-N 1 2 477.993 2.406 20 0 JEADLO COC(=O)c1cc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cnc1Cl ZINC001164821965 720444370 /nfs/dbraw/zinc/44/43/70/720444370.db2.gz BJXKEBVOCHLWQD-OAHLLOKOSA-N 1 2 499.946 2.253 20 0 JEADLO COc1cccc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824014 720451458 /nfs/dbraw/zinc/45/14/58/720451458.db2.gz KUZFMQSLSHJYHC-INIZCTEOSA-N 1 2 472.977 2.478 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(OCc3ccccc3)n1)C2 ZINC001164827119 720451640 /nfs/dbraw/zinc/45/16/40/720451640.db2.gz ZEVWGTCIXZZLIA-OAQYLSRUSA-N 1 2 464.570 2.242 20 0 JEADLO CCOC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164824679 720451694 /nfs/dbraw/zinc/45/16/94/720451694.db2.gz PJYLGWATSRPJDV-KRWDZBQOSA-N 1 2 477.993 2.406 20 0 JEADLO COc1ccc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1Cl ZINC001164832329 720457642 /nfs/dbraw/zinc/45/76/42/720457642.db2.gz UNWKUYPFSFGSJJ-HNNXBMFYSA-N 1 2 471.936 2.475 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001164831803 720465668 /nfs/dbraw/zinc/46/56/68/720465668.db2.gz QYTNCDINTUEXMP-NRFANRHFSA-N 1 2 460.582 2.428 20 0 JEADLO CN(C)c1ccc(-c2ccnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)n2)cc1 ZINC001164829291 720465737 /nfs/dbraw/zinc/46/57/37/720465737.db2.gz FHOKEVXJPBMCIR-OAQYLSRUSA-N 1 2 477.613 2.396 20 0 JEADLO CCc1cc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)[nH]1 ZINC001164832701 720466759 /nfs/dbraw/zinc/46/67/59/720466759.db2.gz VVSOUNYPGVNWCD-HNNXBMFYSA-N 1 2 459.982 2.360 20 0 JEADLO COC(=O)c1ccc2cc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ncc2c1 ZINC001164833151 720467733 /nfs/dbraw/zinc/46/77/33/720467733.db2.gz YZENSNCKKKKAAS-OAQYLSRUSA-N 1 2 465.554 2.208 20 0 JEADLO COC(=O)c1cc2ccccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830760 720473770 /nfs/dbraw/zinc/47/37/70/720473770.db2.gz LSQWNJIELFKEGV-LJQANCHMSA-N 1 2 465.554 2.208 20 0 JEADLO COC(=O)c1cccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ccc21 ZINC001164833185 720476524 /nfs/dbraw/zinc/47/65/24/720476524.db2.gz NECPEPHNOMJGMS-GOSISDBHSA-N 1 2 465.554 2.208 20 0 JEADLO O=C(NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]12)c1ccno1 ZINC001164861806 720905258 /nfs/dbraw/zinc/90/52/58/720905258.db2.gz UOZAPMOOGWQHTN-NMMYMHLASA-N 1 2 474.565 2.294 20 0 JEADLO O=C(NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]12)c1ccno1 ZINC001164861806 720905265 /nfs/dbraw/zinc/90/52/65/720905265.db2.gz UOZAPMOOGWQHTN-NMMYMHLASA-N 1 2 474.565 2.294 20 0 JEADLO Cn1cc(N2C[C@]3(CCN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C3)CC2=O)cn1 ZINC001164889404 721372220 /nfs/dbraw/zinc/37/22/20/721372220.db2.gz ZTEYQYARFHOUNK-MUUNZHRXSA-N 1 2 499.619 2.407 20 0 JEADLO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)O1 ZINC001164885975 721458202 /nfs/dbraw/zinc/45/82/02/721458202.db2.gz GAJYBQMMBGUBFM-SDHOMARFSA-N 1 2 489.620 2.302 20 0 JEADLO Cc1nc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc(Cl)c1C ZINC001165016303 721765815 /nfs/dbraw/zinc/76/58/15/721765815.db2.gz VTDUNBJDLVHOGR-UHFFFAOYSA-N 1 2 464.908 2.214 20 0 JEADLO O=C([C@H]1C[C@@]2(CO1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2)N1CCOCC1 ZINC001165017086 721774910 /nfs/dbraw/zinc/77/49/10/721774910.db2.gz QTOVTZGMZKETII-SQHAQQRYSA-N 1 2 477.609 2.269 20 0 JEADLO O=C([C@H]1C[C@@]2(CO1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2)N1CCOCC1 ZINC001165017086 721774911 /nfs/dbraw/zinc/77/49/11/721774911.db2.gz QTOVTZGMZKETII-SQHAQQRYSA-N 1 2 477.609 2.269 20 0 JEADLO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915207 721786920 /nfs/dbraw/zinc/78/69/20/721786920.db2.gz KHKQLUCAYJALMG-QFIPXVFZSA-N 1 2 495.411 2.123 20 0 JEADLO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915207 721786923 /nfs/dbraw/zinc/78/69/23/721786923.db2.gz KHKQLUCAYJALMG-QFIPXVFZSA-N 1 2 495.411 2.123 20 0 JEADLO Cc1cc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc(N3CCOCC3)c2s1 ZINC001164917489 721787586 /nfs/dbraw/zinc/78/75/86/721787586.db2.gz XPUIOPMTYXZVLF-VWLOTQADSA-N 1 2 496.637 2.339 20 0 JEADLO Cc1cc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc(N3CCOCC3)c2s1 ZINC001164917489 721787589 /nfs/dbraw/zinc/78/75/89/721787589.db2.gz XPUIOPMTYXZVLF-VWLOTQADSA-N 1 2 496.637 2.339 20 0 JEADLO Cc1cc(NC(=O)c2cccnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)no1 ZINC001164915254 721793268 /nfs/dbraw/zinc/79/32/68/721793268.db2.gz UWGKPICCTGKALP-DEOSSOPVSA-N 1 2 464.526 2.133 20 0 JEADLO Cc1cc(NC(=O)c2cccnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)no1 ZINC001164915254 721793271 /nfs/dbraw/zinc/79/32/71/721793271.db2.gz UWGKPICCTGKALP-DEOSSOPVSA-N 1 2 464.526 2.133 20 0 JEADLO C[C@@H]1CCCN(C(=O)c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)C1 ZINC001164914649 721793779 /nfs/dbraw/zinc/79/37/79/721793779.db2.gz OVGUJHMYWFWWBP-RLWLMLJZSA-N 1 2 465.598 2.457 20 0 JEADLO C[C@@H]1CCCN(C(=O)c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)C1 ZINC001164914649 721793782 /nfs/dbraw/zinc/79/37/82/721793782.db2.gz OVGUJHMYWFWWBP-RLWLMLJZSA-N 1 2 465.598 2.457 20 0 JEADLO FC(F)(COc1ccc(Cl)nn1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913883 721793879 /nfs/dbraw/zinc/79/38/79/721793879.db2.gz IDRMPKHNPMWSSC-IBGZPJMESA-N 1 2 455.893 2.100 20 0 JEADLO FC(F)(COc1ccc(Cl)nn1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913883 721793886 /nfs/dbraw/zinc/79/38/86/721793886.db2.gz IDRMPKHNPMWSSC-IBGZPJMESA-N 1 2 455.893 2.100 20 0 JEADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914519 721795684 /nfs/dbraw/zinc/79/56/84/721795684.db2.gz ONSSGDYMDWDOEB-GBXCKJPGSA-N 1 2 489.642 2.051 20 0 JEADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914519 721795687 /nfs/dbraw/zinc/79/56/87/721795687.db2.gz ONSSGDYMDWDOEB-GBXCKJPGSA-N 1 2 489.642 2.051 20 0 JEADLO O=C(CO[C@H]1CO[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)N1CCCC1 ZINC001164939974 721916802 /nfs/dbraw/zinc/91/68/02/721916802.db2.gz XORBAOYNJZLTSU-AJTFRIOCSA-N 1 2 477.609 2.412 20 0 JEADLO O=C(CO[C@H]1CO[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)N1CCCC1 ZINC001164939974 721916803 /nfs/dbraw/zinc/91/68/03/721916803.db2.gz XORBAOYNJZLTSU-AJTFRIOCSA-N 1 2 477.609 2.412 20 0 JEADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945664 721973166 /nfs/dbraw/zinc/97/31/66/721973166.db2.gz PNDLYGQJGUEBBS-UHFFFAOYSA-N 1 2 457.962 2.207 20 0 JEADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945664 721973168 /nfs/dbraw/zinc/97/31/68/721973168.db2.gz PNDLYGQJGUEBBS-UHFFFAOYSA-N 1 2 457.962 2.207 20 0 JEADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2COC[C@@H]21 ZINC001164958648 722036249 /nfs/dbraw/zinc/03/62/49/722036249.db2.gz PEICFGJULQVADE-BKULYWANSA-N 1 2 458.566 2.007 20 0 JEADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2COC[C@@H]21 ZINC001164958648 722036250 /nfs/dbraw/zinc/03/62/50/722036250.db2.gz PEICFGJULQVADE-BKULYWANSA-N 1 2 458.566 2.007 20 0 JEADLO O=C(c1cccnc1N1CCCn2c(Cn3cccn3)nnc2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164975816 722089099 /nfs/dbraw/zinc/08/90/99/722089099.db2.gz QUABSHGZVVIDGB-UHFFFAOYSA-N 1 2 497.607 2.286 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@H]5CCCO[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421528 718900297 /nfs/dbraw/zinc/90/02/97/718900297.db2.gz TYXVIADSTHCLQA-NQIIRXRSSA-N 1 2 472.659 2.281 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)CC2)C1=O ZINC001164639116 719276497 /nfs/dbraw/zinc/27/64/97/719276497.db2.gz HQFZKASMFHCAGX-UHFFFAOYSA-N 1 2 451.999 2.023 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)CC2)C1=O ZINC001164639116 719276500 /nfs/dbraw/zinc/27/65/00/719276500.db2.gz HQFZKASMFHCAGX-UHFFFAOYSA-N 1 2 451.999 2.023 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C(=O)N3CCc4ccccc43)CC2)C1=O ZINC001164639164 719279659 /nfs/dbraw/zinc/27/96/59/719279659.db2.gz IVMIYZCCAHTQHN-UHFFFAOYSA-N 1 2 463.582 2.044 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C(=O)N3CCc4ccccc43)CC2)C1=O ZINC001164639164 719279663 /nfs/dbraw/zinc/27/96/63/719279663.db2.gz IVMIYZCCAHTQHN-UHFFFAOYSA-N 1 2 463.582 2.044 20 0 JEADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(N)(=O)=O)cn1)CC2 ZINC001164664147 719348867 /nfs/dbraw/zinc/34/88/67/719348867.db2.gz SKBDIURGLOPHRY-UHFFFAOYSA-N 1 2 452.584 2.424 20 0 JEADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(N)(=O)=O)cn1)CC2 ZINC001164664147 719348869 /nfs/dbraw/zinc/34/88/69/719348869.db2.gz SKBDIURGLOPHRY-UHFFFAOYSA-N 1 2 452.584 2.424 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)NCc1ccccc1 ZINC001164700378 719842486 /nfs/dbraw/zinc/84/24/86/719842486.db2.gz JVCWHQSACUYUEI-CJFMBICVSA-N 1 2 452.555 2.244 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1 ZINC001164698381 719853470 /nfs/dbraw/zinc/85/34/70/719853470.db2.gz BVFQIGANGIPYIJ-WCJKSRRJSA-N 1 2 478.981 2.412 20 0 JEADLO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2N1C1CCCC1 ZINC001164704755 719854043 /nfs/dbraw/zinc/85/40/43/719854043.db2.gz SOXSYFDCRYIGME-DMJCMNNJSA-N 1 2 486.617 2.189 20 0 JEADLO CCOC(Cc1c(Cl)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC)OCC ZINC001164703600 719854693 /nfs/dbraw/zinc/85/46/93/719854693.db2.gz QHJIEVBZEIQRMS-AOMKIAJQSA-N 1 2 470.998 2.304 20 0 JEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705970 719858338 /nfs/dbraw/zinc/85/83/38/719858338.db2.gz VSDHGZYCLICQEK-BUXKBTBVSA-N 1 2 461.346 2.193 20 0 JEADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164706619 719863119 /nfs/dbraw/zinc/86/31/19/719863119.db2.gz YGAMNGUTVZWNCK-FYSMJZIKSA-N 1 2 476.574 2.086 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)Nc2nncs2)cc1Cl ZINC001164705739 719871325 /nfs/dbraw/zinc/87/13/25/719871325.db2.gz OJFGCLDEDWMWHR-VLIAUNLRSA-N 1 2 480.978 2.072 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)cc2OC)nn1 ZINC001164699896 719872992 /nfs/dbraw/zinc/87/29/92/719872992.db2.gz CSMDHBZHIZMGCS-BXKMTCNYSA-N 1 2 456.543 2.394 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164708657 719912976 /nfs/dbraw/zinc/91/29/76/719912976.db2.gz FJUSDALVPCFFTR-UHFFFAOYSA-N 1 2 474.993 2.374 20 0 JEADLO CCOC(=O)c1cc2ccccc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709218 719915646 /nfs/dbraw/zinc/91/56/46/719915646.db2.gz QSKVLRWPKMISOY-UHFFFAOYSA-N 1 2 462.554 2.095 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164708538 719924239 /nfs/dbraw/zinc/92/42/39/719924239.db2.gz KPJGZACKTUMBNW-UHFFFAOYSA-N 1 2 486.020 2.045 20 0 JEADLO Cc1noc([C@@]23COC[C@H]2CN(c2ncccc2C(=O)N2CC[NH+](Cc4ccccc4)CC2)C3)n1 ZINC001164807524 720058107 /nfs/dbraw/zinc/05/81/07/720058107.db2.gz VSEUTPOVTFHZOQ-RLWLMLJZSA-N 1 2 474.565 2.135 20 0 JEADLO Cc1noc([C@]23COC[C@@H]2CN(c2ncccc2C(=O)N2CC[NH+](Cc4ccccc4)CC2)C3)n1 ZINC001164807497 720058439 /nfs/dbraw/zinc/05/84/39/720058439.db2.gz VSEUTPOVTFHZOQ-HFZDXXHNSA-N 1 2 474.565 2.135 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC001164717539 720240735 /nfs/dbraw/zinc/24/07/35/720240735.db2.gz AOMCLZHZYNXMJX-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC001164717539 720240746 /nfs/dbraw/zinc/24/07/46/720240746.db2.gz AOMCLZHZYNXMJX-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C2)C1 ZINC001164724971 720307624 /nfs/dbraw/zinc/30/76/24/720307624.db2.gz UEAJAJYSVXJSKQ-LJQANCHMSA-N 1 2 475.924 2.037 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C2)C1 ZINC001164724971 720307634 /nfs/dbraw/zinc/30/76/34/720307634.db2.gz UEAJAJYSVXJSKQ-LJQANCHMSA-N 1 2 475.924 2.037 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)OC(C)C)nn4)CC3)C2=O)cs1 ZINC001164825819 720363009 /nfs/dbraw/zinc/36/30/09/720363009.db2.gz VDAQRQOKOFADPO-UHFFFAOYSA-N 1 2 458.588 2.120 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)OC(C)C)nn4)CC3)C2=O)cs1 ZINC001164825819 720363016 /nfs/dbraw/zinc/36/30/16/720363016.db2.gz VDAQRQOKOFADPO-UHFFFAOYSA-N 1 2 458.588 2.120 20 0 JEADLO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819378 720375756 /nfs/dbraw/zinc/37/57/56/720375756.db2.gz DNYGTALOTLGMPB-UHFFFAOYSA-N 1 2 472.615 2.102 20 0 JEADLO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819378 720375762 /nfs/dbraw/zinc/37/57/62/720375762.db2.gz DNYGTALOTLGMPB-UHFFFAOYSA-N 1 2 472.615 2.102 20 0 JEADLO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820762 720376447 /nfs/dbraw/zinc/37/64/47/720376447.db2.gz UDWSMTUMFGHFQH-UHFFFAOYSA-N 1 2 497.625 2.223 20 0 JEADLO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820762 720376458 /nfs/dbraw/zinc/37/64/58/720376458.db2.gz UDWSMTUMFGHFQH-UHFFFAOYSA-N 1 2 497.625 2.223 20 0 JEADLO COC(=O)c1cc2c[nH]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)cc-2n1 ZINC001164819691 720376864 /nfs/dbraw/zinc/37/68/64/720376864.db2.gz GBTPBKUCHMGDMM-UHFFFAOYSA-N 1 2 468.583 2.428 20 0 JEADLO COC(=O)c1cc2c[nH]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)cc-2n1 ZINC001164819691 720376869 /nfs/dbraw/zinc/37/68/69/720376869.db2.gz GBTPBKUCHMGDMM-UHFFFAOYSA-N 1 2 468.583 2.428 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)c5c4N(C)CCO5)CC3)C2=O)cs1 ZINC001164821105 720377355 /nfs/dbraw/zinc/37/73/55/720377355.db2.gz WQAHFXLEUUTDDS-UHFFFAOYSA-N 1 2 478.022 2.037 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)c5c4N(C)CCO5)CC3)C2=O)cs1 ZINC001164821105 720377358 /nfs/dbraw/zinc/37/73/58/720377358.db2.gz WQAHFXLEUUTDDS-UHFFFAOYSA-N 1 2 478.022 2.037 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4ncn5C4CC4)CC3)C2=O)cs1 ZINC001164820749 720378873 /nfs/dbraw/zinc/37/88/73/720378873.db2.gz SXKCUKBYRDELJU-UHFFFAOYSA-N 1 2 452.588 2.239 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4ncn5C4CC4)CC3)C2=O)cs1 ZINC001164820749 720378882 /nfs/dbraw/zinc/37/88/82/720378882.db2.gz SXKCUKBYRDELJU-UHFFFAOYSA-N 1 2 452.588 2.239 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5ncn(C(C)C)c5n4)CC3)C2=O)cs1 ZINC001164821176 720379524 /nfs/dbraw/zinc/37/95/24/720379524.db2.gz ZIYILCLCUWSVEN-UHFFFAOYSA-N 1 2 454.604 2.485 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5ncn(C(C)C)c5n4)CC3)C2=O)cs1 ZINC001164821176 720379531 /nfs/dbraw/zinc/37/95/31/720379531.db2.gz ZIYILCLCUWSVEN-UHFFFAOYSA-N 1 2 454.604 2.485 20 0 JEADLO CCOC(=O)c1c(Cl)cc(C)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829112 720431934 /nfs/dbraw/zinc/43/19/34/720431934.db2.gz ZXVPREVVHRZZHE-QGZVFWFLSA-N 1 2 477.993 2.406 20 0 JEADLO COc1cc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc(Cl)n1 ZINC001164826446 720435372 /nfs/dbraw/zinc/43/53/72/720435372.db2.gz WRMQVMJITLFVIC-HNNXBMFYSA-N 1 2 471.936 2.475 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)cc1-c1ccncc1)C2 ZINC001164826471 720436023 /nfs/dbraw/zinc/43/60/23/720436023.db2.gz XJVDFDGJQHUUKC-GOSISDBHSA-N 1 2 469.977 2.378 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)cc1-c1ccncc1)C2 ZINC001164826474 720436945 /nfs/dbraw/zinc/43/69/45/720436945.db2.gz XJVDFDGJQHUUKC-SFHVURJKSA-N 1 2 469.977 2.378 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164826444 720441686 /nfs/dbraw/zinc/44/16/86/720441686.db2.gz WOOKRWHKPZBHAQ-OAHLLOKOSA-N 1 2 457.909 2.346 20 0 JEADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822020 720446789 /nfs/dbraw/zinc/44/67/89/720446789.db2.gz BXFMXPKOLGUWFG-HNNXBMFYSA-N 1 2 499.946 2.253 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(-c3ccc(F)cc3)n1)C2 ZINC001164825268 720450603 /nfs/dbraw/zinc/45/06/03/720450603.db2.gz QYQAUCAGKNDKJK-IBGZPJMESA-N 1 2 452.534 2.469 20 0 JEADLO Cc1nc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164829180 720455814 /nfs/dbraw/zinc/45/58/14/720455814.db2.gz DCYMRAQQKDZSBZ-CQSZACIVSA-N 1 2 463.995 2.234 20 0 JEADLO CCOC(=O)c1cc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2s1 ZINC001164832683 720461966 /nfs/dbraw/zinc/46/19/66/720461966.db2.gz VOXFXNJYCRROCF-INIZCTEOSA-N 1 2 486.598 2.054 20 0 JEADLO CCCN(CCC)c1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831280 720463490 /nfs/dbraw/zinc/46/34/90/720463490.db2.gz OEVRTZUWNWDFAG-HXUWFJFHSA-N 1 2 457.623 2.289 20 0 JEADLO CC1CCN(C(=O)c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2)CC1 ZINC001164831800 720471187 /nfs/dbraw/zinc/47/11/87/720471187.db2.gz QVERPMXQPAPBHD-QFIPXVFZSA-N 1 2 482.629 2.140 20 0 JEADLO COc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164829607 720471341 /nfs/dbraw/zinc/47/13/41/720471341.db2.gz GGKMDPJXCNYXFL-HXUWFJFHSA-N 1 2 464.570 2.338 20 0 JEADLO COc1ccccc1-c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164832297 720473724 /nfs/dbraw/zinc/47/37/24/720473724.db2.gz SYWWCLAZKXJYLT-IBGZPJMESA-N 1 2 464.570 2.338 20 0 JEADLO COc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)c(OC)c1 ZINC001164831267 720475285 /nfs/dbraw/zinc/47/52/85/720475285.db2.gz OCAINKJCOJGHLJ-IBGZPJMESA-N 1 2 494.596 2.347 20 0 JEADLO COC(=O)c1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c2ccccc2c1OC ZINC001164829686 720477158 /nfs/dbraw/zinc/47/71/58/720477158.db2.gz GSJCFMZGGJMAHQ-GOSISDBHSA-N 1 2 495.580 2.216 20 0 JEADLO COC(=O)c1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cnc1Cl ZINC001164856897 720895161 /nfs/dbraw/zinc/89/51/61/720895161.db2.gz HSBJVGABJKOACT-UHFFFAOYSA-N 1 2 464.860 2.278 20 0 JEADLO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001164767746 721037327 /nfs/dbraw/zinc/03/73/27/721037327.db2.gz SSWQIQNFQSJWDY-LOSJGSFVSA-N 1 2 499.619 2.267 20 0 JEADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c1 ZINC001164770726 721275776 /nfs/dbraw/zinc/27/57/76/721275776.db2.gz YCUCUUYNNMXHHJ-CYBMUJFWSA-N 1 2 484.916 2.234 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001165016019 721765298 /nfs/dbraw/zinc/76/52/98/721765298.db2.gz VLJFZGYWKKADJL-UHFFFAOYSA-N 1 2 451.865 2.082 20 0 JEADLO c1cc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc(N3CCOCC3)c2s1 ZINC001164911128 721773102 /nfs/dbraw/zinc/77/31/02/721773102.db2.gz FLYPJVIOVZAWCK-XMMPIXPASA-N 1 2 482.610 2.031 20 0 JEADLO c1cc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc(N3CCOCC3)c2s1 ZINC001164911128 721773104 /nfs/dbraw/zinc/77/31/04/721773104.db2.gz FLYPJVIOVZAWCK-XMMPIXPASA-N 1 2 482.610 2.031 20 0 JEADLO CC(C)(C)OC(=O)Nc1nccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913308 721777152 /nfs/dbraw/zinc/77/71/52/721777152.db2.gz WBULXJKIAKFBCT-HSZRJFAPSA-N 1 2 456.547 2.326 20 0 JEADLO CC(C)(C)OC(=O)Nc1nccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913308 721777158 /nfs/dbraw/zinc/77/71/58/721777158.db2.gz WBULXJKIAKFBCT-HSZRJFAPSA-N 1 2 456.547 2.326 20 0 JEADLO COc1cc2ncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164916778 721780599 /nfs/dbraw/zinc/78/05/99/721780599.db2.gz UENUGTPHMWWIEV-DEOSSOPVSA-N 1 2 451.527 2.150 20 0 JEADLO COc1cc2ncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164916778 721780604 /nfs/dbraw/zinc/78/06/04/721780604.db2.gz UENUGTPHMWWIEV-DEOSSOPVSA-N 1 2 451.527 2.150 20 0 JEADLO CC1CCN(C(=O)c2cccnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)CC1 ZINC001164915248 721793937 /nfs/dbraw/zinc/79/39/37/721793937.db2.gz USJRJIOIQSOJFE-AREMUKBSSA-N 1 2 465.598 2.457 20 0 JEADLO CC1CCN(C(=O)c2cccnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001164915248 721793938 /nfs/dbraw/zinc/79/39/38/721793938.db2.gz USJRJIOIQSOJFE-AREMUKBSSA-N 1 2 465.598 2.457 20 0 JEADLO COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCO[C@@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164920209 721830721 /nfs/dbraw/zinc/83/07/21/721830721.db2.gz BVHFAQHOTSEDFO-VMXOYPLMSA-N 1 2 458.584 2.449 20 0 JEADLO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)CC1 ZINC001164945087 721976344 /nfs/dbraw/zinc/97/63/44/721976344.db2.gz CBDQLHSRQUTAIT-UHFFFAOYSA-N 1 2 492.624 2.227 20 0 JEADLO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)CC1 ZINC001164945087 721976347 /nfs/dbraw/zinc/97/63/47/721976347.db2.gz CBDQLHSRQUTAIT-UHFFFAOYSA-N 1 2 492.624 2.227 20 0 JEADLO O=C(c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1)N1CCOCC1 ZINC001164946436 721978840 /nfs/dbraw/zinc/97/88/40/721978840.db2.gz FTEWNIFVJWVJMT-UHFFFAOYSA-N 1 2 484.000 2.178 20 0 JEADLO O=C(c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1)N1CCOCC1 ZINC001164946436 721978843 /nfs/dbraw/zinc/97/88/43/721978843.db2.gz FTEWNIFVJWVJMT-UHFFFAOYSA-N 1 2 484.000 2.178 20 0 JEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164951494 721981416 /nfs/dbraw/zinc/98/14/16/721981416.db2.gz ZTACFONZRWRJOS-SFHVURJKSA-N 1 2 457.962 2.269 20 0 JEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164951494 721981420 /nfs/dbraw/zinc/98/14/20/721981420.db2.gz ZTACFONZRWRJOS-SFHVURJKSA-N 1 2 457.962 2.269 20 0 JEADLO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1 ZINC001164955604 722007939 /nfs/dbraw/zinc/00/79/39/722007939.db2.gz XPVZGITUVDPFCP-NLFFAJNJSA-N 1 2 450.587 2.434 20 0 JEADLO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1 ZINC001164955604 722007941 /nfs/dbraw/zinc/00/79/41/722007941.db2.gz XPVZGITUVDPFCP-NLFFAJNJSA-N 1 2 450.587 2.434 20 0 JEADLO CC(C)C(=O)NCc1nnc2n1CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164989478 722189968 /nfs/dbraw/zinc/18/99/68/722189968.db2.gz OGABYIFAEYVHPP-UHFFFAOYSA-N 1 2 460.586 2.309 20 0 JEADLO CC(C)C(=O)NCc1nnc2n1CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164989478 722189970 /nfs/dbraw/zinc/18/99/70/722189970.db2.gz OGABYIFAEYVHPP-UHFFFAOYSA-N 1 2 460.586 2.309 20 0 JEADLO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001165006590 722242493 /nfs/dbraw/zinc/24/24/93/722242493.db2.gz ZUNLUUOWKUSWCK-BWKNWUBXSA-N 1 2 472.593 2.351 20 0 JEADLO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001165006590 722242495 /nfs/dbraw/zinc/24/24/95/722242495.db2.gz ZUNLUUOWKUSWCK-BWKNWUBXSA-N 1 2 472.593 2.351 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4C[C@H]5[C@H](CC5(F)F)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164408630 718870445 /nfs/dbraw/zinc/87/04/45/718870445.db2.gz MUIYULQENMHUSN-WBVHZDCISA-N 1 2 464.586 2.367 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5CCCO[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421529 718901126 /nfs/dbraw/zinc/90/11/26/718901126.db2.gz TYXVIADSTHCLQA-RXVVDRJESA-N 1 2 472.659 2.281 20 0 JEADLO NS(=O)(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164674467 719504833 /nfs/dbraw/zinc/50/48/33/719504833.db2.gz XWHVPAATWQQSCU-UHFFFAOYSA-N 1 2 454.955 2.393 20 0 JEADLO NS(=O)(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164674467 719504836 /nfs/dbraw/zinc/50/48/36/719504836.db2.gz XWHVPAATWQQSCU-UHFFFAOYSA-N 1 2 454.955 2.393 20 0 JEADLO COC(=O)c1ccc2nc(Cl)c(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2c1 ZINC001164706577 719841983 /nfs/dbraw/zinc/84/19/83/719841983.db2.gz XUYGGYBHVJMTFF-NYHFZMIOSA-N 1 2 462.934 2.303 20 0 JEADLO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164701116 719851362 /nfs/dbraw/zinc/85/13/62/719851362.db2.gz JJGWBIUZDMNINH-RLWLMLJZSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164701116 719851364 /nfs/dbraw/zinc/85/13/64/719851364.db2.gz JJGWBIUZDMNINH-RLWLMLJZSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCN(c3ccccc3F)CC2)ncn1 ZINC001164702347 719870726 /nfs/dbraw/zinc/87/07/26/719870726.db2.gz ILUYXARSOKKTKE-RXFWQSSRSA-N 1 2 498.603 2.175 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164707639 719871985 /nfs/dbraw/zinc/87/19/85/719871985.db2.gz USFUQZDCTRZHCS-AGRHKRQWSA-N 1 2 466.888 2.168 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(NC(=O)c2ccccc2)n1 ZINC001164707815 719874895 /nfs/dbraw/zinc/87/48/95/719874895.db2.gz VRQMADHAUXFSGL-CYFREDJKSA-N 1 2 453.543 2.270 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)c(OC)c2OC)nn1 ZINC001164702364 719875184 /nfs/dbraw/zinc/87/51/84/719875184.db2.gz IOTBMMZYQCLOMF-NSYGIPOTSA-N 1 2 486.569 2.402 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(N(C)Cc2ccc(OC)cc2)n1 ZINC001164705745 719876070 /nfs/dbraw/zinc/87/60/70/719876070.db2.gz OLGDSWLGPNNBOO-CJFMBICVSA-N 1 2 469.586 2.354 20 0 JEADLO C[C@H]1CCc2c(sc3ncnc(N4CCc5c(C(=O)N6CC[NH+](C)CC6)nn(C)c5C4)c23)C1 ZINC001164708649 719907441 /nfs/dbraw/zinc/90/74/41/719907441.db2.gz FDTUKVBCSVTZKF-HNNXBMFYSA-N 1 2 465.627 2.500 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164709763 719909732 /nfs/dbraw/zinc/90/97/32/719909732.db2.gz ZPUKGPVDSFDUAL-UHFFFAOYSA-N 1 2 463.920 2.445 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164708760 719926041 /nfs/dbraw/zinc/92/60/41/719926041.db2.gz OZLFOTDNQAIQDO-UHFFFAOYSA-N 1 2 451.962 2.481 20 0 JEADLO CCOc1ccc(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)cc1 ZINC001164708762 719931696 /nfs/dbraw/zinc/93/16/96/719931696.db2.gz PCWWTJLPGNVAEI-UHFFFAOYSA-N 1 2 461.570 2.226 20 0 JEADLO COc1ccc(Cc2c(C)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2C)cc1 ZINC001164708297 719935047 /nfs/dbraw/zinc/93/50/47/719935047.db2.gz HXSRAPNIPLNCDY-UHFFFAOYSA-N 1 2 489.624 2.377 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)CC2 ZINC001164710574 719935950 /nfs/dbraw/zinc/93/59/50/719935950.db2.gz FDJFRNIDEXERIC-UHFFFAOYSA-N 1 2 497.934 2.056 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164703712 720047692 /nfs/dbraw/zinc/04/76/92/720047692.db2.gz LVMVWRRVRRNXGQ-UHFFFAOYSA-N 1 2 496.790 2.064 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164714557 720049138 /nfs/dbraw/zinc/04/91/38/720049138.db2.gz QGFBNHDNNWWCCK-UHFFFAOYSA-N 1 2 464.948 2.452 20 0 JEADLO Cc1noc([C@]23COC[C@H]2CN(c2ncccc2C(=O)N2CC[NH+](Cc4ccccc4)CC2)C3)n1 ZINC001164807519 720058734 /nfs/dbraw/zinc/05/87/34/720058734.db2.gz VSEUTPOVTFHZOQ-QFQXNSOFSA-N 1 2 474.565 2.135 20 0 JEADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719823 720239108 /nfs/dbraw/zinc/23/91/08/720239108.db2.gz PHNSLOKKUKLEBQ-QHCPKHFHSA-N 1 2 473.599 2.047 20 0 JEADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719823 720239116 /nfs/dbraw/zinc/23/91/16/720239116.db2.gz PHNSLOKKUKLEBQ-QHCPKHFHSA-N 1 2 473.599 2.047 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164721292 720266801 /nfs/dbraw/zinc/26/68/01/720266801.db2.gz JDSKSLHWPXYLRV-NRFANRHFSA-N 1 2 464.929 2.121 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164721292 720266814 /nfs/dbraw/zinc/26/68/14/720266814.db2.gz JDSKSLHWPXYLRV-NRFANRHFSA-N 1 2 464.929 2.121 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C2)C1 ZINC001164721582 720279681 /nfs/dbraw/zinc/27/96/81/720279681.db2.gz LJYYZKFOPVCSNE-NRFANRHFSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C2)C1 ZINC001164721582 720279698 /nfs/dbraw/zinc/27/96/98/720279698.db2.gz LJYYZKFOPVCSNE-NRFANRHFSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)C2)C1 ZINC001164724612 720303321 /nfs/dbraw/zinc/30/33/21/720303321.db2.gz SCRCJDHZOOUCLH-AREMUKBSSA-N 1 2 467.614 2.358 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)C2)C1 ZINC001164724612 720303330 /nfs/dbraw/zinc/30/33/30/720303330.db2.gz SCRCJDHZOOUCLH-AREMUKBSSA-N 1 2 467.614 2.358 20 0 JEADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1NC(C)C ZINC001164829367 720356966 /nfs/dbraw/zinc/35/69/66/720356966.db2.gz RQMGKKPADSHPEV-UHFFFAOYSA-N 1 2 459.620 2.384 20 0 JEADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1NC(C)C ZINC001164829367 720356972 /nfs/dbraw/zinc/35/69/72/720356972.db2.gz RQMGKKPADSHPEV-UHFFFAOYSA-N 1 2 459.620 2.384 20 0 JEADLO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826542 720360721 /nfs/dbraw/zinc/36/07/21/720360721.db2.gz WVTYFBXREAPKQB-UHFFFAOYSA-N 1 2 461.563 2.476 20 0 JEADLO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826542 720360727 /nfs/dbraw/zinc/36/07/27/720360727.db2.gz WVTYFBXREAPKQB-UHFFFAOYSA-N 1 2 461.563 2.476 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(Cn5ccccc5=O)cn4)CC3)C2=O)cs1 ZINC001164820747 720379346 /nfs/dbraw/zinc/37/93/46/720379346.db2.gz SSNYLJGEBOGATP-UHFFFAOYSA-N 1 2 478.622 2.370 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(Cn5ccccc5=O)cn4)CC3)C2=O)cs1 ZINC001164820747 720379354 /nfs/dbraw/zinc/37/93/54/720379354.db2.gz SSNYLJGEBOGATP-UHFFFAOYSA-N 1 2 478.622 2.370 20 0 JEADLO Cc1cc(Cl)nc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823653 720432022 /nfs/dbraw/zinc/43/20/22/720432022.db2.gz IPRBJXIGKNAXGB-OAHLLOKOSA-N 1 2 456.925 2.169 20 0 JEADLO COCc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccccc2)n1 ZINC001164824709 720433397 /nfs/dbraw/zinc/43/33/97/720433397.db2.gz PQPMRYPVGUDQSV-OAQYLSRUSA-N 1 2 478.597 2.476 20 0 JEADLO COC(=O)c1cc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cnc1Cl ZINC001164821964 720443898 /nfs/dbraw/zinc/44/38/98/720443898.db2.gz BJXKEBVOCHLWQD-HNNXBMFYSA-N 1 2 499.946 2.253 20 0 JEADLO COc1cc2nc(C)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2cc1OC ZINC001164824058 720453309 /nfs/dbraw/zinc/45/33/09/720453309.db2.gz LOMDCRZXBQMIAC-GOSISDBHSA-N 1 2 482.585 2.142 20 0 JEADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164822453 720454540 /nfs/dbraw/zinc/45/45/40/720454540.db2.gz FHOYHFCGLUMHBY-KRWDZBQOSA-N 1 2 463.966 2.098 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)COc1cccc(Cl)n1)C2 ZINC001164832327 720460128 /nfs/dbraw/zinc/46/01/28/720460128.db2.gz UKTVDJHDMZJVQW-INIZCTEOSA-N 1 2 471.936 2.388 20 0 JEADLO COC(=O)c1cc2c(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)[nH]c(Cl)cc-2n1 ZINC001164828761 720463938 /nfs/dbraw/zinc/46/39/38/720463938.db2.gz AKGKBLHRKSBROA-OAHLLOKOSA-N 1 2 488.976 2.189 20 0 JEADLO COc1cccc(Oc2cncc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)n2)c1 ZINC001164831770 720464274 /nfs/dbraw/zinc/46/42/74/720464274.db2.gz QAOHNIUWLMJAEZ-LJQANCHMSA-N 1 2 480.569 2.464 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001164829892 720472661 /nfs/dbraw/zinc/47/26/61/720472661.db2.gz HNXSGKZYWBXACU-HXUWFJFHSA-N 1 2 492.580 2.101 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccc(F)cc3)nn1)C2 ZINC001164829330 720473434 /nfs/dbraw/zinc/47/34/34/720473434.db2.gz FRAZAUPCHYGJHY-LJQANCHMSA-N 1 2 452.534 2.469 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccnc1Oc1ccccc1)C2 ZINC001164835072 720477125 /nfs/dbraw/zinc/47/71/25/720477125.db2.gz WIPGLTMZGNZOQM-LJQANCHMSA-N 1 2 450.543 2.455 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3nc(C4CC4)no3)ccn1)C2 ZINC001164832847 720478177 /nfs/dbraw/zinc/47/81/77/720478177.db2.gz LMFLIJNGIGGYMZ-LJQANCHMSA-N 1 2 465.558 2.195 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001164833842 720480450 /nfs/dbraw/zinc/48/04/50/720480450.db2.gz QQJKCVPUGYNGDP-GOSISDBHSA-N 1 2 469.977 2.378 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(C(N)=S)c3ccsc31)C2 ZINC001164835105 720484189 /nfs/dbraw/zinc/48/41/89/720484189.db2.gz WVRVQAJIBJHXIE-HNNXBMFYSA-N 1 2 472.640 2.117 20 0 JEADLO O=C(N[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]2COC[C@@H]21)C1CCC1 ZINC001164850649 720802400 /nfs/dbraw/zinc/80/24/00/720802400.db2.gz VQTOLXBQMKXKMF-SDHSZQHLSA-N 1 2 489.620 2.160 20 0 JEADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164855151 720895235 /nfs/dbraw/zinc/89/52/35/720895235.db2.gz ANWGZQBWJJWXKD-UHFFFAOYSA-N 1 2 479.875 2.063 20 0 JEADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164856013 720896004 /nfs/dbraw/zinc/89/60/04/720896004.db2.gz FUMSRSUOFHPCHK-UHFFFAOYSA-N 1 2 464.860 2.278 20 0 JEADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c1 ZINC001164855370 720896184 /nfs/dbraw/zinc/89/61/84/720896184.db2.gz BJCMWZPBLIXWNJ-UHFFFAOYSA-N 1 2 464.860 2.278 20 0 JEADLO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001164767749 721036848 /nfs/dbraw/zinc/03/68/48/721036848.db2.gz SSWQIQNFQSJWDY-RPBOFIJWSA-N 1 2 499.619 2.267 20 0 JEADLO O=C(N[C@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)c1cnccn1 ZINC001164866441 721211552 /nfs/dbraw/zinc/21/15/52/721211552.db2.gz ALBFEFPOHQJCJZ-KDYSTLNUSA-N 1 2 485.592 2.383 20 0 JEADLO O=C(N[C@H]1CCO[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)c1cnccn1 ZINC001164866441 721211561 /nfs/dbraw/zinc/21/15/61/721211561.db2.gz ALBFEFPOHQJCJZ-KDYSTLNUSA-N 1 2 485.592 2.383 20 0 JEADLO Cc1ccc(N2CCO[C@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)nn1 ZINC001164776138 721311806 /nfs/dbraw/zinc/31/18/06/721311806.db2.gz LMZGIKVEQILUEB-RPBOFIJWSA-N 1 2 499.619 2.232 20 0 JEADLO O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]12)N1CCCO1 ZINC001164793103 721479847 /nfs/dbraw/zinc/47/98/47/721479847.db2.gz SIFHHQRSUPYVBM-LGVFNWMJSA-N 1 2 463.582 2.430 20 0 JEADLO O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]12)N1CCCO1 ZINC001164793103 721479853 /nfs/dbraw/zinc/47/98/53/721479853.db2.gz SIFHHQRSUPYVBM-LGVFNWMJSA-N 1 2 463.582 2.430 20 0 JEADLO O=C(c1cnccn1)N1CCOC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)C1 ZINC001165012405 721759046 /nfs/dbraw/zinc/75/90/46/721759046.db2.gz CTYCNOPHOVIKDF-UHFFFAOYSA-N 1 2 485.592 2.337 20 0 JEADLO O=C(c1cnccn1)N1CCOC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)C1 ZINC001165012405 721759049 /nfs/dbraw/zinc/75/90/49/721759049.db2.gz CTYCNOPHOVIKDF-UHFFFAOYSA-N 1 2 485.592 2.337 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001165017007 721765856 /nfs/dbraw/zinc/76/58/56/721765856.db2.gz ZJTRVZAGZFQWMD-UHFFFAOYSA-N 1 2 485.326 2.337 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001165014742 721766029 /nfs/dbraw/zinc/76/60/29/721766029.db2.gz IIMYYJHBWJKFBB-UHFFFAOYSA-N 1 2 465.892 2.125 20 0 JEADLO COc1cc2ncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164916780 721781202 /nfs/dbraw/zinc/78/12/02/721781202.db2.gz UENUGTPHMWWIEV-XMMPIXPASA-N 1 2 451.527 2.150 20 0 JEADLO COc1cc2ncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164916780 721781208 /nfs/dbraw/zinc/78/12/08/721781208.db2.gz UENUGTPHMWWIEV-XMMPIXPASA-N 1 2 451.527 2.150 20 0 JEADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917156 721790650 /nfs/dbraw/zinc/79/06/50/721790650.db2.gz XGHZSMFLSNATHO-SANMLTNESA-N 1 2 497.596 2.356 20 0 JEADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917156 721790653 /nfs/dbraw/zinc/79/06/53/721790653.db2.gz XGHZSMFLSNATHO-SANMLTNESA-N 1 2 497.596 2.356 20 0 JEADLO Cc1cc(NC(=O)c2cccnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)no1 ZINC001164915255 721792883 /nfs/dbraw/zinc/79/28/83/721792883.db2.gz UWGKPICCTGKALP-XMMPIXPASA-N 1 2 464.526 2.133 20 0 JEADLO Cc1cc(NC(=O)c2cccnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)no1 ZINC001164915255 721792887 /nfs/dbraw/zinc/79/28/87/721792887.db2.gz UWGKPICCTGKALP-XMMPIXPASA-N 1 2 464.526 2.133 20 0 JEADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914525 721795550 /nfs/dbraw/zinc/79/55/50/721795550.db2.gz ONSSGDYMDWDOEB-YKSBVNFPSA-N 1 2 489.642 2.051 20 0 JEADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914525 721795553 /nfs/dbraw/zinc/79/55/53/721795553.db2.gz ONSSGDYMDWDOEB-YKSBVNFPSA-N 1 2 489.642 2.051 20 0 JEADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)CC1 ZINC001164916802 721813388 /nfs/dbraw/zinc/81/33/88/721813388.db2.gz JSCCAPJBAPJNMS-UHFFFAOYSA-N 1 2 467.952 2.458 20 0 JEADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)CC1 ZINC001164916802 721813389 /nfs/dbraw/zinc/81/33/89/721813389.db2.gz JSCCAPJBAPJNMS-UHFFFAOYSA-N 1 2 467.952 2.458 20 0 JEADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)C1 ZINC001164917804 721819559 /nfs/dbraw/zinc/81/95/59/721819559.db2.gz HVARKXUXPXIKQP-IBGZPJMESA-N 1 2 453.591 2.202 20 0 JEADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947464 721974504 /nfs/dbraw/zinc/97/45/04/721974504.db2.gz PABILUCPSPNSTQ-UHFFFAOYSA-N 1 2 457.962 2.207 20 0 JEADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947464 721974508 /nfs/dbraw/zinc/97/45/08/721974508.db2.gz PABILUCPSPNSTQ-UHFFFAOYSA-N 1 2 457.962 2.207 20 0 JEADLO O=C([C@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2)N1CCOCC1 ZINC001164959052 722044964 /nfs/dbraw/zinc/04/49/64/722044964.db2.gz GBMWOOIBUCZPHK-JOCHJYFZSA-N 1 2 477.609 2.269 20 0 JEADLO O=C([C@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2)N1CCOCC1 ZINC001164959052 722044967 /nfs/dbraw/zinc/04/49/67/722044967.db2.gz GBMWOOIBUCZPHK-JOCHJYFZSA-N 1 2 477.609 2.269 20 0 JEADLO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001165006592 722242385 /nfs/dbraw/zinc/24/23/85/722242385.db2.gz ZUNLUUOWKUSWCK-OFVILXPXSA-N 1 2 472.593 2.351 20 0 JEADLO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001165006592 722242387 /nfs/dbraw/zinc/24/23/87/722242387.db2.gz ZUNLUUOWKUSWCK-OFVILXPXSA-N 1 2 472.593 2.351 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)CC2)C1=O ZINC001164639181 719276223 /nfs/dbraw/zinc/27/62/23/719276223.db2.gz JNBWRXAEBPRSAM-UHFFFAOYSA-N 1 2 452.983 2.450 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)CC2)C1=O ZINC001164639181 719276229 /nfs/dbraw/zinc/27/62/29/719276229.db2.gz JNBWRXAEBPRSAM-UHFFFAOYSA-N 1 2 452.983 2.450 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)CC2)C1=O ZINC001164641940 719276810 /nfs/dbraw/zinc/27/68/10/719276810.db2.gz VDNHBSKJJYVMMY-UHFFFAOYSA-N 1 2 464.929 2.216 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)CC2)C1=O ZINC001164641940 719276814 /nfs/dbraw/zinc/27/68/14/719276814.db2.gz VDNHBSKJJYVMMY-UHFFFAOYSA-N 1 2 464.929 2.216 20 0 JEADLO O=C(NC1CCOCC1)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164679100 719525282 /nfs/dbraw/zinc/52/52/82/719525282.db2.gz SEKZTQRJLTZJMU-UHFFFAOYSA-N 1 2 469.561 2.396 20 0 JEADLO O=C(NC1CCOCC1)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164679100 719525287 /nfs/dbraw/zinc/52/52/87/719525287.db2.gz SEKZTQRJLTZJMU-UHFFFAOYSA-N 1 2 469.561 2.396 20 0 JEADLO NS(=O)(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164677070 719528429 /nfs/dbraw/zinc/52/84/29/719528429.db2.gz BKYYBBMLQPZARC-UHFFFAOYSA-N 1 2 454.955 2.393 20 0 JEADLO NS(=O)(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164677070 719528432 /nfs/dbraw/zinc/52/84/32/719528432.db2.gz BKYYBBMLQPZARC-UHFFFAOYSA-N 1 2 454.955 2.393 20 0 JEADLO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2c1 ZINC001164706586 719841780 /nfs/dbraw/zinc/84/17/80/719841780.db2.gz XUYGGYBHVJMTFF-QRQCRPRQSA-N 1 2 462.934 2.303 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(C(=O)N(C)C)n(C3CCCC3)c2n1 ZINC001164706869 719854436 /nfs/dbraw/zinc/85/44/36/719854436.db2.gz ZJTQWIQKCGSOEN-FNZWTVRRSA-N 1 2 498.628 2.481 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(C(=O)N(C)C)n(C3CCCC3)c2n1 ZINC001164706871 719854701 /nfs/dbraw/zinc/85/47/01/719854701.db2.gz ZJTQWIQKCGSOEN-IBVKSMDESA-N 1 2 498.628 2.481 20 0 JEADLO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC)OCC ZINC001164703617 719854716 /nfs/dbraw/zinc/85/47/16/719854716.db2.gz QHJIEVBZEIQRMS-ZHRRBRCNSA-N 1 2 470.998 2.304 20 0 JEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705972 719858111 /nfs/dbraw/zinc/85/81/11/719858111.db2.gz VSDHGZYCLICQEK-HXPMCKFVSA-N 1 2 461.346 2.193 20 0 JEADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164706736 719858150 /nfs/dbraw/zinc/85/81/50/719858150.db2.gz YQOJOBPYPGTQRD-VGSWGCGISA-N 1 2 452.983 2.450 20 0 JEADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164706728 719858201 /nfs/dbraw/zinc/85/82/01/719858201.db2.gz YQOJOBPYPGTQRD-HTAPYJJXSA-N 1 2 452.983 2.450 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(C)sc2c(N2CCOCC2)n1 ZINC001164697814 719860111 /nfs/dbraw/zinc/86/01/11/719860111.db2.gz BAFHYPGCZVWDIN-UZUQRXQVSA-N 1 2 475.615 2.069 20 0 JEADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164706636 719863170 /nfs/dbraw/zinc/86/31/70/719863170.db2.gz YGAMNGUTVZWNCK-VOIUYBSRSA-N 1 2 476.574 2.086 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc3c(c2)OCCO3)nn1 ZINC001164707969 719869336 /nfs/dbraw/zinc/86/93/36/719869336.db2.gz WWJCUMHERVFNKA-UUOWRZLLSA-N 1 2 454.527 2.148 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCN(c3ccccc3F)CC2)ncn1 ZINC001164702343 719870741 /nfs/dbraw/zinc/87/07/41/719870741.db2.gz ILUYXARSOKKTKE-FNZWTVRRSA-N 1 2 498.603 2.175 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cc(OC)ccc2OC)nn1 ZINC001164708000 719872691 /nfs/dbraw/zinc/87/26/91/719872691.db2.gz XDFRRCQYACGKQM-BXKMTCNYSA-N 1 2 456.543 2.394 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(OC)c(OC)c2OC)nn1 ZINC001164702360 719875130 /nfs/dbraw/zinc/87/51/30/719875130.db2.gz IOTBMMZYQCLOMF-CRICUBBOSA-N 1 2 486.569 2.402 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(N(C)Cc2ccc(OC)cc2)n1 ZINC001164705746 719876180 /nfs/dbraw/zinc/87/61/80/719876180.db2.gz OLGDSWLGPNNBOO-CPJSRVTESA-N 1 2 469.586 2.354 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164708714 719905292 /nfs/dbraw/zinc/90/52/92/719905292.db2.gz IPIMCIQMXOEELD-UHFFFAOYSA-N 1 2 461.904 2.245 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164708858 719908756 /nfs/dbraw/zinc/90/87/56/719908756.db2.gz KOLFKGKKOGTLAE-UHFFFAOYSA-N 1 2 451.962 2.481 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164709247 719915987 /nfs/dbraw/zinc/91/59/87/719915987.db2.gz RJPCMEOUAZASKH-UHFFFAOYSA-N 1 2 451.962 2.481 20 0 JEADLO CCOC(=O)c1cnc(Cl)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1Cl ZINC001164703685 720047892 /nfs/dbraw/zinc/04/78/92/720047892.db2.gz LIUCQSOOERUHNX-UHFFFAOYSA-N 1 2 481.384 2.249 20 0 JEADLO Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001164711966 720072942 /nfs/dbraw/zinc/07/29/42/720072942.db2.gz OJUMBFXDHBDJQV-RPWUZVMVSA-N 1 2 485.592 2.157 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164722400 720273220 /nfs/dbraw/zinc/27/32/20/720273220.db2.gz QQGRVBHGSARUTJ-HXUWFJFHSA-N 1 2 469.920 2.373 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164722400 720273227 /nfs/dbraw/zinc/27/32/27/720273227.db2.gz QQGRVBHGSARUTJ-HXUWFJFHSA-N 1 2 469.920 2.373 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C2)C1 ZINC001164721214 720274866 /nfs/dbraw/zinc/27/48/66/720274866.db2.gz HSLUEGVFUVUTCX-KRWDZBQOSA-N 1 2 452.333 2.079 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C2)C1 ZINC001164721214 720274877 /nfs/dbraw/zinc/27/48/77/720274877.db2.gz HSLUEGVFUVUTCX-KRWDZBQOSA-N 1 2 452.333 2.079 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164724235 720291827 /nfs/dbraw/zinc/29/18/27/720291827.db2.gz ZXEMLTJPOQAPGC-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164724235 720291836 /nfs/dbraw/zinc/29/18/36/720291836.db2.gz ZXEMLTJPOQAPGC-HXUWFJFHSA-N 1 2 453.921 2.493 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(C)c4C(N)=O)CC3)C2=O)cs1 ZINC001164824002 720359716 /nfs/dbraw/zinc/35/97/16/720359716.db2.gz GMLKDQXZFVKWHL-UHFFFAOYSA-N 1 2 463.007 2.220 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(C)c4C(N)=O)CC3)C2=O)cs1 ZINC001164824002 720359722 /nfs/dbraw/zinc/35/97/22/720359722.db2.gz GMLKDQXZFVKWHL-UHFFFAOYSA-N 1 2 463.007 2.220 20 0 JEADLO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CCN4C)c12 ZINC001164824828 720362385 /nfs/dbraw/zinc/36/23/85/720362385.db2.gz NLSFTPLNQRHTHW-UHFFFAOYSA-N 1 2 483.598 2.213 20 0 JEADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824013 720368424 /nfs/dbraw/zinc/36/84/24/720368424.db2.gz GZNJENRDRYJVTC-UHFFFAOYSA-N 1 2 493.033 2.314 20 0 JEADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824013 720368433 /nfs/dbraw/zinc/36/84/33/720368433.db2.gz GZNJENRDRYJVTC-UHFFFAOYSA-N 1 2 493.033 2.314 20 0 JEADLO COc1cnc2c(c1)ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819965 720377268 /nfs/dbraw/zinc/37/72/68/720377268.db2.gz JTQIMQFROPXQQN-UHFFFAOYSA-N 1 2 453.572 2.112 20 0 JEADLO COc1cnc2c(c1)ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819965 720377271 /nfs/dbraw/zinc/37/72/71/720377271.db2.gz JTQIMQFROPXQQN-UHFFFAOYSA-N 1 2 453.572 2.112 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3[nH]cc(Cl)c31)C2 ZINC001164827545 720428824 /nfs/dbraw/zinc/42/88/24/720428824.db2.gz SXIXPAOEYMAGOE-CYBMUJFWSA-N 1 2 466.373 2.451 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001164822814 720436398 /nfs/dbraw/zinc/43/63/98/720436398.db2.gz IMYHOLPKRLKBOR-HNNXBMFYSA-N 1 2 465.023 2.105 20 0 JEADLO COC(=O)c1ccc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1Cl ZINC001164825201 720441286 /nfs/dbraw/zinc/44/12/86/720441286.db2.gz QMLJIYOMDKPDRD-OAHLLOKOSA-N 1 2 499.946 2.253 20 0 JEADLO CCOC(=O)c1c(C)nc(Cl)cc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824556 720444108 /nfs/dbraw/zinc/44/41/08/720444108.db2.gz NZLUPCGVSUSEKU-KRWDZBQOSA-N 1 2 477.993 2.406 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)COc1ccnc(Cl)c1)C2 ZINC001164826456 720450369 /nfs/dbraw/zinc/45/03/69/720450369.db2.gz WVTUJYWQUUAWRO-MRXNPFEDSA-N 1 2 471.936 2.388 20 0 JEADLO COc1cc2c(cc1Cl)ncnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826303 720454991 /nfs/dbraw/zinc/45/49/91/720454991.db2.gz VPPJCRXXYAEGIQ-INIZCTEOSA-N 1 2 472.977 2.478 20 0 JEADLO CCN(CC)C(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164832724 720457426 /nfs/dbraw/zinc/45/74/26/720457426.db2.gz WGCWNZNWJYVMSO-IBGZPJMESA-N 1 2 491.036 2.403 20 0 JEADLO Cc1nc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(Cl)c1C ZINC001164829219 720460056 /nfs/dbraw/zinc/46/00/56/720460056.db2.gz DPZAYNRBPIVTNH-INIZCTEOSA-N 1 2 470.952 2.478 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc(OCc3ccccc3)cn1)C2 ZINC001164830206 720464777 /nfs/dbraw/zinc/46/47/77/720464777.db2.gz JJPQPVHJQNIRHL-OAQYLSRUSA-N 1 2 464.570 2.242 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164829603 720468179 /nfs/dbraw/zinc/46/81/79/720468179.db2.gz GFYWYUWMXYXXNI-CQSZACIVSA-N 1 2 456.925 2.048 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3nc1N1CCCC1)C2 ZINC001164832306 720469760 /nfs/dbraw/zinc/46/97/60/720469760.db2.gz TUEYZVQAVPWZKQ-HXUWFJFHSA-N 1 2 477.613 2.416 20 0 JEADLO COc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164829605 720470772 /nfs/dbraw/zinc/47/07/72/720470772.db2.gz GGKMDPJXCNYXFL-FQEVSTJZSA-N 1 2 464.570 2.338 20 0 JEADLO C[C@H]1CCCN(C(=O)c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2)C1 ZINC001164830699 720470890 /nfs/dbraw/zinc/47/08/90/720470890.db2.gz KYBREBDITUNSFK-UNMCSNQZSA-N 1 2 482.629 2.140 20 0 JEADLO COc1cccc(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)c1 ZINC001164829262 720471091 /nfs/dbraw/zinc/47/10/91/720471091.db2.gz FARDOXHMBFEQSC-HXUWFJFHSA-N 1 2 464.570 2.338 20 0 JEADLO COc1ccccc1-c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164832644 720471452 /nfs/dbraw/zinc/47/14/52/720471452.db2.gz URZFWIRECKVQLR-LJQANCHMSA-N 1 2 464.570 2.338 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3cccnc3)nc3c1CCC3)C2 ZINC001164833518 720476084 /nfs/dbraw/zinc/47/60/84/720476084.db2.gz PKEODZRDGGVHBV-HXUWFJFHSA-N 1 2 475.597 2.213 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccnc1Oc1ccccc1)C2 ZINC001164835071 720476778 /nfs/dbraw/zinc/47/67/78/720476778.db2.gz WIPGLTMZGNZOQM-IBGZPJMESA-N 1 2 450.543 2.455 20 0 JEADLO CCOC(=O)c1cnc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1Cl ZINC001164859326 720895574 /nfs/dbraw/zinc/89/55/74/720895574.db2.gz OXIPZZFWCMEZAG-UHFFFAOYSA-N 1 2 479.875 2.063 20 0 JEADLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164758392 721024235 /nfs/dbraw/zinc/02/42/35/721024235.db2.gz ILYDDBPXYRUXQP-HXUWFJFHSA-N 1 2 471.569 2.062 20 0 JEADLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164758392 721024242 /nfs/dbraw/zinc/02/42/42/721024242.db2.gz ILYDDBPXYRUXQP-HXUWFJFHSA-N 1 2 471.569 2.062 20 0 JEADLO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001164767739 721036977 /nfs/dbraw/zinc/03/69/77/721036977.db2.gz SSWQIQNFQSJWDY-DQEYMECFSA-N 1 2 499.619 2.267 20 0 JEADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782927 721364599 /nfs/dbraw/zinc/36/45/99/721364599.db2.gz NNMDAPJPPCGMBK-NHOCJEJCSA-N 1 2 491.614 2.115 20 0 JEADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782927 721364604 /nfs/dbraw/zinc/36/46/04/721364604.db2.gz NNMDAPJPPCGMBK-NHOCJEJCSA-N 1 2 491.614 2.115 20 0 JEADLO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)O1 ZINC001164885973 721458098 /nfs/dbraw/zinc/45/80/98/721458098.db2.gz GAJYBQMMBGUBFM-GVAUOCQISA-N 1 2 489.620 2.302 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001165014789 721765631 /nfs/dbraw/zinc/76/56/31/721765631.db2.gz IZPBVSZBFMOLIT-UHFFFAOYSA-N 1 2 465.892 2.125 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001165017061 721766190 /nfs/dbraw/zinc/76/61/90/721766190.db2.gz ZPXWMLJLVMBQNC-UHFFFAOYSA-N 1 2 476.919 2.086 20 0 JEADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915533 721782351 /nfs/dbraw/zinc/78/23/51/721782351.db2.gz KZVBVRWHQFCTKF-DEOSSOPVSA-N 1 2 453.543 2.034 20 0 JEADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915533 721782355 /nfs/dbraw/zinc/78/23/55/721782355.db2.gz KZVBVRWHQFCTKF-DEOSSOPVSA-N 1 2 453.543 2.034 20 0 JEADLO CCOC(=O)c1cc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH]c-2n1 ZINC001164914595 721789492 /nfs/dbraw/zinc/78/94/92/721789492.db2.gz FEAKATWOYRTWMX-DEOSSOPVSA-N 1 2 451.527 2.242 20 0 JEADLO CCOC(=O)c1cc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH]c-2n1 ZINC001164914595 721789495 /nfs/dbraw/zinc/78/94/95/721789495.db2.gz FEAKATWOYRTWMX-DEOSSOPVSA-N 1 2 451.527 2.242 20 0 JEADLO CCOC(=O)c1cc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2[nH]1 ZINC001164914595 721789500 /nfs/dbraw/zinc/78/95/00/721789500.db2.gz FEAKATWOYRTWMX-DEOSSOPVSA-N 1 2 451.527 2.242 20 0 JEADLO CCOC(=O)c1cc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2[nH]1 ZINC001164914595 721789505 /nfs/dbraw/zinc/78/95/05/721789505.db2.gz FEAKATWOYRTWMX-DEOSSOPVSA-N 1 2 451.527 2.242 20 0 JEADLO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914628 721790175 /nfs/dbraw/zinc/79/01/75/721790175.db2.gz FSHQOGHFTVRBAK-RUZDIDTESA-N 1 2 469.586 2.061 20 0 JEADLO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914628 721790180 /nfs/dbraw/zinc/79/01/80/721790180.db2.gz FSHQOGHFTVRBAK-RUZDIDTESA-N 1 2 469.586 2.061 20 0 JEADLO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914629 721790413 /nfs/dbraw/zinc/79/04/13/721790413.db2.gz FSHQOGHFTVRBAK-VWLOTQADSA-N 1 2 469.586 2.061 20 0 JEADLO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914629 721790416 /nfs/dbraw/zinc/79/04/16/721790416.db2.gz FSHQOGHFTVRBAK-VWLOTQADSA-N 1 2 469.586 2.061 20 0 JEADLO FC(F)(COc1cncc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913895 721795485 /nfs/dbraw/zinc/79/54/85/721795485.db2.gz IKMAMORQNZPSRL-IBGZPJMESA-N 1 2 455.893 2.100 20 0 JEADLO FC(F)(COc1cncc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913895 721795492 /nfs/dbraw/zinc/79/54/92/721795492.db2.gz IKMAMORQNZPSRL-IBGZPJMESA-N 1 2 455.893 2.100 20 0 JEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164951492 721981623 /nfs/dbraw/zinc/98/16/23/721981623.db2.gz ZTACFONZRWRJOS-GOSISDBHSA-N 1 2 457.962 2.269 20 0 JEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164951492 721981624 /nfs/dbraw/zinc/98/16/24/721981624.db2.gz ZTACFONZRWRJOS-GOSISDBHSA-N 1 2 457.962 2.269 20 0 JEADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cc1C(=O)OCC ZINC001164948157 721981826 /nfs/dbraw/zinc/98/18/26/721981826.db2.gz JPZFOMZVCMAHFF-UHFFFAOYSA-N 1 2 480.565 2.406 20 0 JEADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cc1C(=O)OCC ZINC001164948157 721981829 /nfs/dbraw/zinc/98/18/29/721981829.db2.gz JPZFOMZVCMAHFF-UHFFFAOYSA-N 1 2 480.565 2.406 20 0 JEADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2COC[C@H]21 ZINC001164958651 722036213 /nfs/dbraw/zinc/03/62/13/722036213.db2.gz PEICFGJULQVADE-FJIJXJHWSA-N 1 2 458.566 2.007 20 0 JEADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2COC[C@H]21 ZINC001164958651 722036216 /nfs/dbraw/zinc/03/62/16/722036216.db2.gz PEICFGJULQVADE-FJIJXJHWSA-N 1 2 458.566 2.007 20 0 JEADLO O=C(NC[C@@H]1Cn2ccnc2CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1)c1ccnnc1 ZINC001165002008 722241038 /nfs/dbraw/zinc/24/10/38/722241038.db2.gz ARUFISJIMXJXSC-OAQYLSRUSA-N 1 2 495.591 2.088 20 0 JEADLO O=C(NC[C@@H]1Cn2ccnc2CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1)c1ccnnc1 ZINC001165002008 722241041 /nfs/dbraw/zinc/24/10/41/722241041.db2.gz ARUFISJIMXJXSC-OAQYLSRUSA-N 1 2 495.591 2.088 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)CC2)C1=O ZINC001164644945 719285228 /nfs/dbraw/zinc/28/52/28/719285228.db2.gz XMJITWWEAHJWMY-UHFFFAOYSA-N 1 2 475.924 2.131 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)CC2)C1=O ZINC001164644945 719285232 /nfs/dbraw/zinc/28/52/32/719285232.db2.gz XMJITWWEAHJWMY-UHFFFAOYSA-N 1 2 475.924 2.131 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1C(=O)NC(C)(C)C ZINC001164704047 719858154 /nfs/dbraw/zinc/85/81/54/719858154.db2.gz QQRGGPVYLUMMHD-IVZQSRNASA-N 1 2 452.983 2.496 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2Cc1ccccc1F ZINC001164703085 719859822 /nfs/dbraw/zinc/85/98/22/719859822.db2.gz OPNYIOJUJVFWRQ-KOSHJBKYSA-N 1 2 468.533 2.246 20 0 JEADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164706622 719863188 /nfs/dbraw/zinc/86/31/88/719863188.db2.gz YGAMNGUTVZWNCK-GYCJOSAFSA-N 1 2 476.574 2.086 20 0 JEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc3c(c2)OCCO3)nn1 ZINC001164707967 719869527 /nfs/dbraw/zinc/86/95/27/719869527.db2.gz WWJCUMHERVFNKA-KOSHJBKYSA-N 1 2 454.527 2.148 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(-c3c[nH]c4ccccc43)n1)CC2 ZINC001164708703 719907176 /nfs/dbraw/zinc/90/71/76/719907176.db2.gz IBLKMPLCMDXLRM-UHFFFAOYSA-N 1 2 456.554 2.309 20 0 JEADLO CCOc1cc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2cc1OCC ZINC001164708418 719909378 /nfs/dbraw/zinc/90/93/78/719909378.db2.gz CVJFGHGNEZTIHX-UHFFFAOYSA-N 1 2 479.585 2.111 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164709039 719919879 /nfs/dbraw/zinc/91/98/79/719919879.db2.gz WVMJYLSKZUWQRE-UHFFFAOYSA-N 1 2 451.506 2.092 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164708788 719923153 /nfs/dbraw/zinc/92/31/53/719923153.db2.gz QJVFPAXOBRPMPZ-UHFFFAOYSA-N 1 2 468.565 2.376 20 0 JEADLO COc1ccc(Oc2cc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc(C)n2)cc1 ZINC001164708227 719933711 /nfs/dbraw/zinc/93/37/11/719933711.db2.gz FOVGKDYAPPSOTN-UHFFFAOYSA-N 1 2 477.569 2.270 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164705504 719933923 /nfs/dbraw/zinc/93/39/23/719933923.db2.gz ZLKTUHUQQZSINH-UHFFFAOYSA-N 1 2 460.316 2.012 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164708127 719934161 /nfs/dbraw/zinc/93/41/61/719934161.db2.gz DJBYCDPSIJWCDR-UHFFFAOYSA-N 1 2 474.594 2.437 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164704781 719935725 /nfs/dbraw/zinc/93/57/25/719935725.db2.gz RLVBHNKXVKHPGX-UHFFFAOYSA-N 1 2 451.962 2.481 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164708032 719936148 /nfs/dbraw/zinc/93/61/48/719936148.db2.gz ANJZYZYTFHRLGM-UHFFFAOYSA-N 1 2 450.374 2.345 20 0 JEADLO O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)N1CCCC1 ZINC001164712383 720081127 /nfs/dbraw/zinc/08/11/27/720081127.db2.gz PGJUOBXSBZRJNJ-GSLIJJQTSA-N 1 2 477.609 2.410 20 0 JEADLO O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)N1CCCC1 ZINC001164712383 720081138 /nfs/dbraw/zinc/08/11/38/720081138.db2.gz PGJUOBXSBZRJNJ-GSLIJJQTSA-N 1 2 477.609 2.410 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164718422 720223836 /nfs/dbraw/zinc/22/38/36/720223836.db2.gz LKOJENVHCDGHBD-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164718422 720223838 /nfs/dbraw/zinc/22/38/38/720223838.db2.gz LKOJENVHCDGHBD-FQEVSTJZSA-N 1 2 453.921 2.493 20 0 JEADLO CCOC(=O)c1cnc(Cl)c(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1Cl ZINC001164716430 720230847 /nfs/dbraw/zinc/23/08/47/720230847.db2.gz CTFZCDMWCKAYQZ-FQEVSTJZSA-N 1 2 459.374 2.230 20 0 JEADLO CCOC(=O)c1cnc(Cl)c(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1Cl ZINC001164716430 720230864 /nfs/dbraw/zinc/23/08/64/720230864.db2.gz CTFZCDMWCKAYQZ-FQEVSTJZSA-N 1 2 459.374 2.230 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164722398 720273087 /nfs/dbraw/zinc/27/30/87/720273087.db2.gz QQGRVBHGSARUTJ-FQEVSTJZSA-N 1 2 469.920 2.373 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164722398 720273100 /nfs/dbraw/zinc/27/31/00/720273100.db2.gz QQGRVBHGSARUTJ-FQEVSTJZSA-N 1 2 469.920 2.373 20 0 JEADLO CCOC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(Cl)n1 ZINC001164721859 720278004 /nfs/dbraw/zinc/27/80/04/720278004.db2.gz MHRKCMDMIIQPNL-FQEVSTJZSA-N 1 2 474.936 2.121 20 0 JEADLO CCOC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(Cl)n1 ZINC001164721859 720278007 /nfs/dbraw/zinc/27/80/07/720278007.db2.gz MHRKCMDMIIQPNL-FQEVSTJZSA-N 1 2 474.936 2.121 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C2)C1 ZINC001164723233 720281418 /nfs/dbraw/zinc/28/14/18/720281418.db2.gz UZHVKHVFKXSUGU-OAQYLSRUSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C2)C1 ZINC001164723233 720281429 /nfs/dbraw/zinc/28/14/29/720281429.db2.gz UZHVKHVFKXSUGU-OAQYLSRUSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C2)C1 ZINC001164723283 720288939 /nfs/dbraw/zinc/28/89/39/720288939.db2.gz VZTPKRMFCRYMHO-HSZRJFAPSA-N 1 2 464.010 2.026 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C2)C1 ZINC001164723283 720288945 /nfs/dbraw/zinc/28/89/45/720288945.db2.gz VZTPKRMFCRYMHO-HSZRJFAPSA-N 1 2 464.010 2.026 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C2)C1 ZINC001164721951 720291293 /nfs/dbraw/zinc/29/12/93/720291293.db2.gz NNMRIXNBXKTROQ-OAQYLSRUSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C2)C1 ZINC001164721951 720291297 /nfs/dbraw/zinc/29/12/97/720291297.db2.gz NNMRIXNBXKTROQ-OAQYLSRUSA-N 1 2 480.947 2.402 20 0 JEADLO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)O1 ZINC001164724947 720319693 /nfs/dbraw/zinc/31/96/93/720319693.db2.gz SWOMTYLCLYDXIG-OYDLWJJNSA-N 1 2 465.598 2.266 20 0 JEADLO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)O1 ZINC001164724947 720319698 /nfs/dbraw/zinc/31/96/98/720319698.db2.gz SWOMTYLCLYDXIG-OYDLWJJNSA-N 1 2 465.598 2.266 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4C(=O)N4CCCC4)CC3)C2=O)cs1 ZINC001164826835 720358261 /nfs/dbraw/zinc/35/82/61/720358261.db2.gz ZPWZUGRFBVYPNQ-UHFFFAOYSA-N 1 2 468.627 2.396 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4C(=O)N4CCCC4)CC3)C2=O)cs1 ZINC001164826835 720358268 /nfs/dbraw/zinc/35/82/68/720358268.db2.gz ZPWZUGRFBVYPNQ-UHFFFAOYSA-N 1 2 468.627 2.396 20 0 JEADLO COC(=O)c1ccc2cnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc2c1 ZINC001164823225 720361503 /nfs/dbraw/zinc/36/15/03/720361503.db2.gz CJVZXMSOHYXCOW-UHFFFAOYSA-N 1 2 480.594 2.495 20 0 JEADLO COC(=O)c1ccc2cnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc2c1 ZINC001164823225 720361516 /nfs/dbraw/zinc/36/15/16/720361516.db2.gz CJVZXMSOHYXCOW-UHFFFAOYSA-N 1 2 480.594 2.495 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ncc4N4CCOCC4)CC3)C2=O)cs1 ZINC001164820273 720370721 /nfs/dbraw/zinc/37/07/21/720370721.db2.gz MZMDOZJMAXMHBX-UHFFFAOYSA-N 1 2 492.049 2.045 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ncc4N4CCOCC4)CC3)C2=O)cs1 ZINC001164820273 720370726 /nfs/dbraw/zinc/37/07/26/720370726.db2.gz MZMDOZJMAXMHBX-UHFFFAOYSA-N 1 2 492.049 2.045 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)NC5CC5)cn4)CC3)C2=O)cs1 ZINC001164820203 720370951 /nfs/dbraw/zinc/37/09/51/720370951.db2.gz METRORBGTJQGEU-UHFFFAOYSA-N 1 2 454.600 2.052 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)NC5CC5)cn4)CC3)C2=O)cs1 ZINC001164820203 720370960 /nfs/dbraw/zinc/37/09/60/720370960.db2.gz METRORBGTJQGEU-UHFFFAOYSA-N 1 2 454.600 2.052 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C(C)C)nc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164819302 720372762 /nfs/dbraw/zinc/37/27/62/720372762.db2.gz BIUFUGFBROUBMQ-UHFFFAOYSA-N 1 2 458.636 2.139 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C(C)C)nc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164819302 720372769 /nfs/dbraw/zinc/37/27/69/720372769.db2.gz BIUFUGFBROUBMQ-UHFFFAOYSA-N 1 2 458.636 2.139 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc5c4CNC5=O)CC3)C2=O)cs1 ZINC001164819334 720374729 /nfs/dbraw/zinc/37/47/29/720374729.db2.gz CYAOCTYSNNHUDZ-UHFFFAOYSA-N 1 2 460.991 2.057 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc5c4CNC5=O)CC3)C2=O)cs1 ZINC001164819334 720374736 /nfs/dbraw/zinc/37/47/36/720374736.db2.gz CYAOCTYSNNHUDZ-UHFFFAOYSA-N 1 2 460.991 2.057 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5ncnc(Cl)c5n4)CC3)C2=O)cs1 ZINC001164819316 720375147 /nfs/dbraw/zinc/37/51/47/720375147.db2.gz BZFSDWNIVBXVHN-UHFFFAOYSA-N 1 2 458.979 2.151 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5ncnc(Cl)c5n4)CC3)C2=O)cs1 ZINC001164819316 720375152 /nfs/dbraw/zinc/37/51/52/720375152.db2.gz BZFSDWNIVBXVHN-UHFFFAOYSA-N 1 2 458.979 2.151 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(=O)N5CCCC5)ccn4)CC3)C2=O)cs1 ZINC001164820756 720375392 /nfs/dbraw/zinc/37/53/92/720375392.db2.gz TWZZIMGGVMDVFC-UHFFFAOYSA-N 1 2 468.627 2.396 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(=O)N5CCCC5)ccn4)CC3)C2=O)cs1 ZINC001164820756 720375399 /nfs/dbraw/zinc/37/53/99/720375399.db2.gz TWZZIMGGVMDVFC-UHFFFAOYSA-N 1 2 468.627 2.396 20 0 JEADLO CCOC(=O)Cc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164822176 720385733 /nfs/dbraw/zinc/38/57/33/720385733.db2.gz KLEUQNOUQPEODV-UHFFFAOYSA-N 1 2 457.600 2.265 20 0 JEADLO CCOC(=O)Cc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164822176 720385743 /nfs/dbraw/zinc/38/57/43/720385743.db2.gz KLEUQNOUQPEODV-UHFFFAOYSA-N 1 2 457.600 2.265 20 0 JEADLO COc1ccc2nc(Cl)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164825594 720428781 /nfs/dbraw/zinc/42/87/81/720428781.db2.gz ODDADHOXHYKKNQ-MRXNPFEDSA-N 1 2 472.977 2.478 20 0 JEADLO COc1ccc2nc(Cl)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164825591 720429055 /nfs/dbraw/zinc/42/90/55/720429055.db2.gz ODDADHOXHYKKNQ-INIZCTEOSA-N 1 2 472.977 2.478 20 0 JEADLO COCc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccccc2)n1 ZINC001164824707 720432991 /nfs/dbraw/zinc/43/29/91/720432991.db2.gz PQPMRYPVGUDQSV-NRFANRHFSA-N 1 2 478.597 2.476 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(Oc3ccccc3)n1)C2 ZINC001164822337 720441543 /nfs/dbraw/zinc/44/15/43/720441543.db2.gz CVVGOPNWQJYHLK-IBGZPJMESA-N 1 2 450.543 2.455 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CSC3)C2 ZINC001164822816 720442393 /nfs/dbraw/zinc/44/23/93/720442393.db2.gz INIGZNJUHZNVTD-AWEZNQCLSA-N 1 2 450.996 2.063 20 0 JEADLO Cc1cc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(Cl)n1 ZINC001164823440 720443656 /nfs/dbraw/zinc/44/36/56/720443656.db2.gz JWJXASYLOGUNGD-OAHLLOKOSA-N 1 2 456.925 2.169 20 0 JEADLO CCOC(=O)c1c(C)cc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826436 720444639 /nfs/dbraw/zinc/44/46/39/720444639.db2.gz WLRNVMMGZDTIQC-KRWDZBQOSA-N 1 2 477.993 2.406 20 0 JEADLO COc1ccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c(Cl)nc2c1 ZINC001164826410 720446852 /nfs/dbraw/zinc/44/68/52/720446852.db2.gz WFMSZTAJTQKJSU-MRXNPFEDSA-N 1 2 472.977 2.478 20 0 JEADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822023 720447220 /nfs/dbraw/zinc/44/72/20/720447220.db2.gz BXFMXPKOLGUWFG-OAHLLOKOSA-N 1 2 499.946 2.253 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(-c3ccc(F)cc3)n1)C2 ZINC001164825270 720449802 /nfs/dbraw/zinc/44/98/02/720449802.db2.gz QYQAUCAGKNDKJK-LJQANCHMSA-N 1 2 452.534 2.469 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)C2 ZINC001164832322 720457078 /nfs/dbraw/zinc/45/70/78/720457078.db2.gz UFBGVAHFXBMQOO-QGZVFWFLSA-N 1 2 491.036 2.449 20 0 JEADLO CC(C)n1cnc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829912 720463254 /nfs/dbraw/zinc/46/32/54/720463254.db2.gz HPNPKGUSNUXSCF-MRXNPFEDSA-N 1 2 474.997 2.247 20 0 JEADLO COc1cccc(-c2ccnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)n2)c1 ZINC001164833125 720463426 /nfs/dbraw/zinc/46/34/26/720463426.db2.gz YQQUJVWYEBIUTC-HXUWFJFHSA-N 1 2 464.570 2.338 20 0 JEADLO CCOC(=O)c1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164833241 720465765 /nfs/dbraw/zinc/46/57/65/720465765.db2.gz ZNSCAFKTYAPCGW-INIZCTEOSA-N 1 2 463.966 2.098 20 0 JEADLO COc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)c(OC)c1 ZINC001164831269 720475740 /nfs/dbraw/zinc/47/57/40/720475740.db2.gz OCAINKJCOJGHLJ-LJQANCHMSA-N 1 2 494.596 2.347 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001164829800 720476539 /nfs/dbraw/zinc/47/65/39/720476539.db2.gz HAYPGQXTVCVPOA-HXUWFJFHSA-N 1 2 475.597 2.213 20 0 JEADLO Cc1nc(-c2ccccn2)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164833039 720476924 /nfs/dbraw/zinc/47/69/24/720476924.db2.gz WYLFNCLANPUKNJ-FQEVSTJZSA-N 1 2 463.586 2.342 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Oc1ccnc(Cl)c1)C2 ZINC001164830265 720481316 /nfs/dbraw/zinc/48/13/16/720481316.db2.gz AACSFVDDAGSMFW-OAHLLOKOSA-N 1 2 457.909 2.346 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(C3CCC3)nc3[nH]ccc31)C2 ZINC001164831041 720483737 /nfs/dbraw/zinc/48/37/37/720483737.db2.gz DWTAPGFAYGBOKM-SFHVURJKSA-N 1 2 451.575 2.412 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(C3CCC3)nc3[nH]ccc31)C2 ZINC001164831039 720484064 /nfs/dbraw/zinc/48/40/64/720484064.db2.gz DWTAPGFAYGBOKM-GOSISDBHSA-N 1 2 451.575 2.412 20 0 JEADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164739863 720741147 /nfs/dbraw/zinc/74/11/47/720741147.db2.gz JBGXNGIYNPNAKA-FPOVZHCZSA-N 1 2 496.593 2.413 20 0 JEADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164739863 720741151 /nfs/dbraw/zinc/74/11/51/720741151.db2.gz JBGXNGIYNPNAKA-FPOVZHCZSA-N 1 2 496.593 2.413 20 0 JEADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c1 ZINC001164858757 720895862 /nfs/dbraw/zinc/89/58/62/720895862.db2.gz ORZUOEXOYWTPFE-UHFFFAOYSA-N 1 2 464.860 2.278 20 0 JEADLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164862065 721035439 /nfs/dbraw/zinc/03/54/39/721035439.db2.gz LSKYKXMVDXWLFL-NDEPHWFRSA-N 1 2 497.603 2.274 20 0 JEADLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164862065 721035442 /nfs/dbraw/zinc/03/54/42/721035442.db2.gz LSKYKXMVDXWLFL-NDEPHWFRSA-N 1 2 497.603 2.274 20 0 JEADLO Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001164767743 721036837 /nfs/dbraw/zinc/03/68/37/721036837.db2.gz SSWQIQNFQSJWDY-JWQCQUIFSA-N 1 2 499.619 2.267 20 0 JEADLO Cc1ccc(N2CCO[C@@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)nn1 ZINC001164776136 721312053 /nfs/dbraw/zinc/31/20/53/721312053.db2.gz LMZGIKVEQILUEB-LOSJGSFVSA-N 1 2 499.619 2.232 20 0 JEADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778430 721338554 /nfs/dbraw/zinc/33/85/54/721338554.db2.gz WGVDCDDZCOIBDV-QHCPKHFHSA-N 1 2 454.531 2.420 20 0 JEADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778430 721338558 /nfs/dbraw/zinc/33/85/58/721338558.db2.gz WGVDCDDZCOIBDV-QHCPKHFHSA-N 1 2 454.531 2.420 20 0 JEADLO Cn1cc(N2C[C@@]3(CCN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C3)CC2=O)cn1 ZINC001164889405 721371974 /nfs/dbraw/zinc/37/19/74/721371974.db2.gz ZTEYQYARFHOUNK-NDEPHWFRSA-N 1 2 499.619 2.407 20 0 JEADLO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)O1 ZINC001164885971 721458179 /nfs/dbraw/zinc/45/81/79/721458179.db2.gz GAJYBQMMBGUBFM-DSITVLBTSA-N 1 2 489.620 2.302 20 0 JEADLO O=C([C@@H]1CCO[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21)N1CCCO1 ZINC001164793108 721479553 /nfs/dbraw/zinc/47/95/53/721479553.db2.gz SIFHHQRSUPYVBM-ZFGGDYGUSA-N 1 2 463.582 2.430 20 0 JEADLO O=C([C@@H]1CCO[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21)N1CCCO1 ZINC001164793108 721479554 /nfs/dbraw/zinc/47/95/54/721479554.db2.gz SIFHHQRSUPYVBM-ZFGGDYGUSA-N 1 2 463.582 2.430 20 0 JEADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)C1 ZINC001165009406 721713966 /nfs/dbraw/zinc/71/39/66/721713966.db2.gz UBECIQBUWGBAMD-SFHVURJKSA-N 1 2 456.595 2.098 20 0 JEADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)C1 ZINC001165009406 721713976 /nfs/dbraw/zinc/71/39/76/721713976.db2.gz UBECIQBUWGBAMD-SFHVURJKSA-N 1 2 456.595 2.098 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001165016559 721765305 /nfs/dbraw/zinc/76/53/05/721765305.db2.gz XRXSRKRIRBDJTB-UHFFFAOYSA-N 1 2 471.299 2.251 20 0 JEADLO CSc1nc(Cl)cc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)n1 ZINC001165015976 721765613 /nfs/dbraw/zinc/76/56/13/721765613.db2.gz UQBVGFKXKWGIKW-UHFFFAOYSA-N 1 2 482.948 2.320 20 0 JEADLO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915206 721786602 /nfs/dbraw/zinc/78/66/02/721786602.db2.gz KHKQLUCAYJALMG-JOCHJYFZSA-N 1 2 495.411 2.123 20 0 JEADLO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915206 721786606 /nfs/dbraw/zinc/78/66/06/721786606.db2.gz KHKQLUCAYJALMG-JOCHJYFZSA-N 1 2 495.411 2.123 20 0 JEADLO CCOC(=O)c1cc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH]c-2n1 ZINC001164914597 721789536 /nfs/dbraw/zinc/78/95/36/721789536.db2.gz FEAKATWOYRTWMX-XMMPIXPASA-N 1 2 451.527 2.242 20 0 JEADLO CCOC(=O)c1cc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH]c-2n1 ZINC001164914597 721789538 /nfs/dbraw/zinc/78/95/38/721789538.db2.gz FEAKATWOYRTWMX-XMMPIXPASA-N 1 2 451.527 2.242 20 0 JEADLO CCOC(=O)c1cc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2[nH]1 ZINC001164914597 721789539 /nfs/dbraw/zinc/78/95/39/721789539.db2.gz FEAKATWOYRTWMX-XMMPIXPASA-N 1 2 451.527 2.242 20 0 JEADLO CCOC(=O)c1cc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2[nH]1 ZINC001164914597 721789541 /nfs/dbraw/zinc/78/95/41/721789541.db2.gz FEAKATWOYRTWMX-XMMPIXPASA-N 1 2 451.527 2.242 20 0 JEADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915182 721790918 /nfs/dbraw/zinc/79/09/18/721790918.db2.gz JNNFEIIXKRHISS-GOSISDBHSA-N 1 2 457.934 2.466 20 0 JEADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915182 721790921 /nfs/dbraw/zinc/79/09/21/721790921.db2.gz JNNFEIIXKRHISS-GOSISDBHSA-N 1 2 457.934 2.466 20 0 JEADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCN(c5ccccc5)CC4)nc[nH+]2)CC3)n1 ZINC001164936557 721908700 /nfs/dbraw/zinc/90/87/00/721908700.db2.gz XPDCXDCHOACPIX-UHFFFAOYSA-N 1 2 488.640 2.408 20 0 JEADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCN(c5ccccc5)CC4)[nH+]cn2)CC3)n1 ZINC001164936557 721908702 /nfs/dbraw/zinc/90/87/02/721908702.db2.gz XPDCXDCHOACPIX-UHFFFAOYSA-N 1 2 488.640 2.408 20 0 JEADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949334 721981617 /nfs/dbraw/zinc/98/16/17/721981617.db2.gz OSVXHMJEOIWNLC-INIZCTEOSA-N 1 2 457.962 2.378 20 0 JEADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949334 721981618 /nfs/dbraw/zinc/98/16/18/721981618.db2.gz OSVXHMJEOIWNLC-INIZCTEOSA-N 1 2 457.962 2.378 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4C[C@H]5CC(F)(F)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164408624 718870404 /nfs/dbraw/zinc/87/04/04/718870404.db2.gz MUIYULQENMHUSN-NVXWUHKLSA-N 1 2 464.586 2.367 20 0 JEADLO CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5CC(F)(F)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164408626 718870512 /nfs/dbraw/zinc/87/05/12/718870512.db2.gz MUIYULQENMHUSN-RDJZCZTQSA-N 1 2 464.586 2.367 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)CC2)C1=O ZINC001164632808 719270182 /nfs/dbraw/zinc/27/01/82/719270182.db2.gz CVYXEBRESRWXEM-UHFFFAOYSA-N 1 2 464.010 2.121 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)CC2)C1=O ZINC001164632808 719270184 /nfs/dbraw/zinc/27/01/84/719270184.db2.gz CVYXEBRESRWXEM-UHFFFAOYSA-N 1 2 464.010 2.121 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC2)C1=O ZINC001164639964 719278730 /nfs/dbraw/zinc/27/87/30/719278730.db2.gz MEWDWPMYZIZINR-UHFFFAOYSA-N 1 2 461.566 2.484 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC2)C1=O ZINC001164639964 719278735 /nfs/dbraw/zinc/27/87/35/719278735.db2.gz MEWDWPMYZIZINR-UHFFFAOYSA-N 1 2 461.566 2.484 20 0 JEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)CC2)C1=O ZINC001164644643 719283660 /nfs/dbraw/zinc/28/36/60/719283660.db2.gz NTSBLMBTIJDBLB-UHFFFAOYSA-N 1 2 452.983 2.450 20 0 JEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)CC2)C1=O ZINC001164644643 719283662 /nfs/dbraw/zinc/28/36/62/719283662.db2.gz NTSBLMBTIJDBLB-UHFFFAOYSA-N 1 2 452.983 2.450 20 0 JEADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(N4CCOCC4)nc4c2CCN4)CC3)cc1 ZINC001164673885 719501365 /nfs/dbraw/zinc/50/13/65/719501365.db2.gz UCQLWOXKPIBUNQ-UHFFFAOYSA-N 1 2 468.577 2.292 20 0 JEADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(N4CCOCC4)nc4c2CCN4)CC3)cc1 ZINC001164673885 719501376 /nfs/dbraw/zinc/50/13/76/719501376.db2.gz UCQLWOXKPIBUNQ-UHFFFAOYSA-N 1 2 468.577 2.292 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164701110 719851222 /nfs/dbraw/zinc/85/12/22/719851222.db2.gz JJGWBIUZDMNINH-HFZDXXHNSA-N 1 2 465.598 2.268 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164701110 719851224 /nfs/dbraw/zinc/85/12/24/719851224.db2.gz JJGWBIUZDMNINH-HFZDXXHNSA-N 1 2 465.598 2.268 20 0 JEADLO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2N1C1CCCC1 ZINC001164704752 719854097 /nfs/dbraw/zinc/85/40/97/719854097.db2.gz SOXSYFDCRYIGME-BSWQBHCVSA-N 1 2 486.617 2.189 20 0 JEADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164706730 719858359 /nfs/dbraw/zinc/85/83/59/719858359.db2.gz YQOJOBPYPGTQRD-JTSKRJEESA-N 1 2 452.983 2.450 20 0 JEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC001164707236 719868681 /nfs/dbraw/zinc/86/86/81/719868681.db2.gz RQYKPAPJVZFPJP-NVQXNPDNSA-N 1 2 480.613 2.036 20 0 JEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC001164707233 719869037 /nfs/dbraw/zinc/86/90/37/719869037.db2.gz RQYKPAPJVZFPJP-ATIYNZHBSA-N 1 2 480.613 2.036 20 0 JEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)Nc2nncs2)cc1Cl ZINC001164705738 719871130 /nfs/dbraw/zinc/87/11/30/719871130.db2.gz OJFGCLDEDWMWHR-VBKZILBWSA-N 1 2 480.978 2.072 20 0 JEADLO C[C@@H]1CCc2c(sc3ncnc(N4CCc5c(C(=O)N6CC[NH+](C)CC6)nn(C)c5C4)c23)C1 ZINC001164708650 719907547 /nfs/dbraw/zinc/90/75/47/719907547.db2.gz FDTUKVBCSVTZKF-OAHLLOKOSA-N 1 2 465.627 2.500 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164709592 719909011 /nfs/dbraw/zinc/90/90/11/719909011.db2.gz YWEOURYOOFHJNN-UHFFFAOYSA-N 1 2 459.554 2.018 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164708315 719926104 /nfs/dbraw/zinc/92/61/04/719926104.db2.gz IRCYCYIHCKTWTA-UHFFFAOYSA-N 1 2 474.565 2.122 20 0 JEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164708231 719931775 /nfs/dbraw/zinc/93/17/75/719931775.db2.gz FTAWDNQPYNKLHR-UHFFFAOYSA-N 1 2 463.611 2.453 20 0 JEADLO CCN(c1ccccc1)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncn1 ZINC001164709162 719932537 /nfs/dbraw/zinc/93/25/37/719932537.db2.gz ZZMXQWRSAJBUNW-UHFFFAOYSA-N 1 2 460.586 2.318 20 0 JEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@@H]12)c1cnccn1 ZINC001164716893 720051272 /nfs/dbraw/zinc/05/12/72/720051272.db2.gz XRJKLEILTBXRNX-BUUDZMLXSA-N 1 2 485.592 2.239 20 0 JEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@@H]12)c1cnccn1 ZINC001164716893 720051283 /nfs/dbraw/zinc/05/12/83/720051283.db2.gz XRJKLEILTBXRNX-BUUDZMLXSA-N 1 2 485.592 2.239 20 0 JEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164716897 720051577 /nfs/dbraw/zinc/05/15/77/720051577.db2.gz XRJKLEILTBXRNX-ZPZUNKDASA-N 1 2 485.592 2.239 20 0 JEADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164716897 720051584 /nfs/dbraw/zinc/05/15/84/720051584.db2.gz XRJKLEILTBXRNX-ZPZUNKDASA-N 1 2 485.592 2.239 20 0 JEADLO Cc1noc([C@@]23COC[C@@H]2CN(c2ncccc2C(=O)N2CC[NH+](Cc4ccccc4)CC2)C3)n1 ZINC001164807500 720058680 /nfs/dbraw/zinc/05/86/80/720058680.db2.gz VSEUTPOVTFHZOQ-LVXARBLLSA-N 1 2 474.565 2.135 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C2)C1 ZINC001164721583 720281040 /nfs/dbraw/zinc/28/10/40/720281040.db2.gz LJYYZKFOPVCSNE-OAQYLSRUSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C2)C1 ZINC001164721583 720281058 /nfs/dbraw/zinc/28/10/58/720281058.db2.gz LJYYZKFOPVCSNE-OAQYLSRUSA-N 1 2 480.947 2.402 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)COC(=O)Nc3cccnc3Cl)C2)C1 ZINC001164726153 720305128 /nfs/dbraw/zinc/30/51/28/720305128.db2.gz YDVUVTCGSYEKSA-IBGZPJMESA-N 1 2 475.924 2.037 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)COC(=O)Nc3cccnc3Cl)C2)C1 ZINC001164726153 720305134 /nfs/dbraw/zinc/30/51/34/720305134.db2.gz YDVUVTCGSYEKSA-IBGZPJMESA-N 1 2 475.924 2.037 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C2)C1 ZINC001164724970 720308611 /nfs/dbraw/zinc/30/86/11/720308611.db2.gz UEAJAJYSVXJSKQ-IBGZPJMESA-N 1 2 475.924 2.037 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C2)C1 ZINC001164724970 720308616 /nfs/dbraw/zinc/30/86/16/720308616.db2.gz UEAJAJYSVXJSKQ-IBGZPJMESA-N 1 2 475.924 2.037 20 0 JEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C2)C1 ZINC001164723995 720310916 /nfs/dbraw/zinc/31/09/16/720310916.db2.gz PXIJOIILENEDRS-SFHVURJKSA-N 1 2 474.965 2.035 20 0 JEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C2)C1 ZINC001164723995 720310921 /nfs/dbraw/zinc/31/09/21/720310921.db2.gz PXIJOIILENEDRS-SFHVURJKSA-N 1 2 474.965 2.035 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4ncn5C)CC3)C2=O)cs1 ZINC001164824821 720366375 /nfs/dbraw/zinc/36/63/75/720366375.db2.gz MYSOQHHLLLYGJS-UHFFFAOYSA-N 1 2 460.995 2.095 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4ncn5C)CC3)C2=O)cs1 ZINC001164824821 720366381 /nfs/dbraw/zinc/36/63/81/720366381.db2.gz MYSOQHHLLLYGJS-UHFFFAOYSA-N 1 2 460.995 2.095 20 0 JEADLO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)cc-2n1 ZINC001164826634 720368209 /nfs/dbraw/zinc/36/82/09/720368209.db2.gz XYGAPVXSZHIPOQ-UHFFFAOYSA-N 1 2 498.609 2.436 20 0 JEADLO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)cc-2n1 ZINC001164826634 720368217 /nfs/dbraw/zinc/36/82/17/720368217.db2.gz XYGAPVXSZHIPOQ-UHFFFAOYSA-N 1 2 498.609 2.436 20 0 JEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5ccc(=O)n(C)c5n4)CC3)C2=O)cs1 ZINC001164821100 720370889 /nfs/dbraw/zinc/37/08/89/720370889.db2.gz WPIYNCFNONFYIH-UHFFFAOYSA-N 1 2 452.584 2.012 20 0 JEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5ccc(=O)n(C)c5n4)CC3)C2=O)cs1 ZINC001164821100 720370899 /nfs/dbraw/zinc/37/08/99/720370899.db2.gz WPIYNCFNONFYIH-UHFFFAOYSA-N 1 2 452.584 2.012 20 0 JEADLO c1cn(Cc2nnn3c2CN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)CCC3)c[nH+]1 ZINC001164826136 720398762 /nfs/dbraw/zinc/39/87/62/720398762.db2.gz BVMKANKVTOQEGR-UHFFFAOYSA-N 1 2 491.625 2.259 20 0 JEADLO CCOC(=O)c1cnc(Cl)cc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824980 720429493 /nfs/dbraw/zinc/42/94/93/720429493.db2.gz NEPDXMUVBNMSSQ-MRXNPFEDSA-N 1 2 463.966 2.098 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(=O)NCc1ccccc1)C2 ZINC001164822763 720435216 /nfs/dbraw/zinc/43/52/16/720435216.db2.gz HRBLHQCARGSGEV-JOCHJYFZSA-N 1 2 490.608 2.198 20 0 JEADLO COC(=O)c1ccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ccc2c1 ZINC001164825168 720446937 /nfs/dbraw/zinc/44/69/37/720446937.db2.gz QJPGLHGBDYVJPY-HXUWFJFHSA-N 1 2 465.554 2.208 20 0 JEADLO COC(=O)c1ccc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164822300 720449534 /nfs/dbraw/zinc/44/95/34/720449534.db2.gz CNPQYVIROWSLJI-OAHLLOKOSA-N 1 2 499.946 2.253 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)COc1ccnc(Cl)c1)C2 ZINC001164826455 720450110 /nfs/dbraw/zinc/45/01/10/720450110.db2.gz WVTUJYWQUUAWRO-INIZCTEOSA-N 1 2 471.936 2.388 20 0 JEADLO Cc1nc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164829174 720455397 /nfs/dbraw/zinc/45/53/97/720455397.db2.gz DCYMRAQQKDZSBZ-AWEZNQCLSA-N 1 2 463.995 2.234 20 0 JEADLO COc1ccc2nc(Cl)cc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2n1 ZINC001164831782 720456259 /nfs/dbraw/zinc/45/62/59/720456259.db2.gz QGGNBWMUOYVADA-MRXNPFEDSA-N 1 2 472.977 2.478 20 0 JEADLO C[C@@H]1CCCN(C(=O)c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2)C1 ZINC001164830696 720471065 /nfs/dbraw/zinc/47/10/65/720471065.db2.gz KYBREBDITUNSFK-IRLDBZIGSA-N 1 2 482.629 2.140 20 0 JEADLO COc1cccc(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)c1 ZINC001164829261 720471374 /nfs/dbraw/zinc/47/13/74/720471374.db2.gz FARDOXHMBFEQSC-FQEVSTJZSA-N 1 2 464.570 2.338 20 0 JEADLO COc1ccccc1-c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830827 720472152 /nfs/dbraw/zinc/47/21/52/720472152.db2.gz MOFHXZAIPBWQQG-IBGZPJMESA-N 1 2 464.570 2.338 20 0 JEADLO Cc1cc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)nn1 ZINC001164831189 720472675 /nfs/dbraw/zinc/47/26/75/720472675.db2.gz NJOYJYZRWORJFJ-HNNXBMFYSA-N 1 2 456.925 2.169 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3cccc(F)c3)nn1)C2 ZINC001164830715 720475395 /nfs/dbraw/zinc/47/53/95/720475395.db2.gz LCBULUUYZLATRA-LJQANCHMSA-N 1 2 452.534 2.469 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001164829797 720476165 /nfs/dbraw/zinc/47/61/65/720476165.db2.gz HAYPGQXTVCVPOA-FQEVSTJZSA-N 1 2 475.597 2.213 20 0 JEADLO Cc1nc(-c2ccccn2)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164833040 720476766 /nfs/dbraw/zinc/47/67/66/720476766.db2.gz WYLFNCLANPUKNJ-HXUWFJFHSA-N 1 2 463.586 2.342 20 0 JEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1ncn3-c1ccccc1)C2 ZINC001164831872 720478214 /nfs/dbraw/zinc/47/82/14/720478214.db2.gz HQFQCWXZYXRLFN-LJQANCHMSA-N 1 2 474.569 2.002 20 0 JEADLO COC(=O)c1cc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164833691 720480642 /nfs/dbraw/zinc/48/06/42/720480642.db2.gz QAAQTZJHHVURAF-MRXNPFEDSA-N 1 2 463.966 2.016 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(-c3ccc(F)cc3)n1)C2 ZINC001164835133 720480984 /nfs/dbraw/zinc/48/09/84/720480984.db2.gz XAGOFIYPHCJCSK-IBGZPJMESA-N 1 2 452.534 2.469 20 0 JEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001164833844 720481113 /nfs/dbraw/zinc/48/11/13/720481113.db2.gz QQJKCVPUGYNGDP-SFHVURJKSA-N 1 2 469.977 2.378 20 0 JEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744633 720784137 /nfs/dbraw/zinc/78/41/37/720784137.db2.gz RTDZZLGRJBDVEO-MOPGFXCFSA-N 1 2 470.530 2.153 20 0 JEADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744633 720784151 /nfs/dbraw/zinc/78/41/51/720784151.db2.gz RTDZZLGRJBDVEO-MOPGFXCFSA-N 1 2 470.530 2.153 20 0 JEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001164861483 720896020 /nfs/dbraw/zinc/89/60/20/720896020.db2.gz XZKMGRGQFLTEJM-UHFFFAOYSA-N 1 2 458.860 2.435 20 0 JEADLO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21)c1ccno1 ZINC001164861824 720905502 /nfs/dbraw/zinc/90/55/02/720905502.db2.gz UOZAPMOOGWQHTN-ROKPMTFOSA-N 1 2 474.565 2.294 20 0 JEADLO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21)c1ccno1 ZINC001164861824 720905510 /nfs/dbraw/zinc/90/55/10/720905510.db2.gz UOZAPMOOGWQHTN-ROKPMTFOSA-N 1 2 474.565 2.294 20 0 JEADLO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)c1cnccn1 ZINC001164866442 721211459 /nfs/dbraw/zinc/21/14/59/721211459.db2.gz ALBFEFPOHQJCJZ-ZBLYBZFDSA-N 1 2 485.592 2.383 20 0 JEADLO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)c1cnccn1 ZINC001164866442 721211465 /nfs/dbraw/zinc/21/14/65/721211465.db2.gz ALBFEFPOHQJCJZ-ZBLYBZFDSA-N 1 2 485.592 2.383 20 0 JEADLO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC2)C1 ZINC001164873783 721286596 /nfs/dbraw/zinc/28/65/96/721286596.db2.gz AGKZNUJIPOVCCV-UHFFFAOYSA-N 1 2 456.925 2.163 20 0 JEADLO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC2)C1 ZINC001164873783 721286600 /nfs/dbraw/zinc/28/66/00/721286600.db2.gz AGKZNUJIPOVCCV-UHFFFAOYSA-N 1 2 456.925 2.163 20 0 JEADLO Cc1ccc(N2CCO[C@@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)nn1 ZINC001164776134 721312089 /nfs/dbraw/zinc/31/20/89/721312089.db2.gz LMZGIKVEQILUEB-JWQCQUIFSA-N 1 2 499.619 2.232 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001165014605 721765358 /nfs/dbraw/zinc/76/53/58/721765358.db2.gz HBSFWYPYGDWISA-UHFFFAOYSA-N 1 2 453.856 2.342 20 0 JEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001165013786 721765374 /nfs/dbraw/zinc/76/53/74/721765374.db2.gz AHBZKRYWVBAYAD-UHFFFAOYSA-N 1 2 453.856 2.342 20 0 JEADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1OCC ZINC001164916023 721782066 /nfs/dbraw/zinc/78/20/66/721782066.db2.gz NWOHPMPLRCNLJQ-XMMPIXPASA-N 1 2 456.543 2.160 20 0 JEADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1OCC ZINC001164916023 721782069 /nfs/dbraw/zinc/78/20/69/721782069.db2.gz NWOHPMPLRCNLJQ-XMMPIXPASA-N 1 2 456.543 2.160 20 0 JEADLO CN(C)c1nc(-c2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914142 721787927 /nfs/dbraw/zinc/78/79/27/721787927.db2.gz CDGWDRNEZXVCRG-RUZDIDTESA-N 1 2 461.570 2.107 20 0 JEADLO CN(C)c1nc(-c2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914142 721787931 /nfs/dbraw/zinc/78/79/31/721787931.db2.gz CDGWDRNEZXVCRG-RUZDIDTESA-N 1 2 461.570 2.107 20 0 JEADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164915293 721795309 /nfs/dbraw/zinc/79/53/09/721795309.db2.gz VRBYIEATPYKFQH-XMMPIXPASA-N 1 2 489.642 2.051 20 0 JEADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164915293 721795311 /nfs/dbraw/zinc/79/53/11/721795311.db2.gz VRBYIEATPYKFQH-XMMPIXPASA-N 1 2 489.642 2.051 20 0 JEADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914521 721795652 /nfs/dbraw/zinc/79/56/52/721795652.db2.gz ONSSGDYMDWDOEB-HYBUGGRVSA-N 1 2 489.642 2.051 20 0 JEADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914521 721795657 /nfs/dbraw/zinc/79/56/57/721795657.db2.gz ONSSGDYMDWDOEB-HYBUGGRVSA-N 1 2 489.642 2.051 20 0 JEADLO O=C(CO[C@H]1CO[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)N1CCCC1 ZINC001164939975 721916619 /nfs/dbraw/zinc/91/66/19/721916619.db2.gz XORBAOYNJZLTSU-AMGIVPHBSA-N 1 2 477.609 2.412 20 0 JEADLO O=C(CO[C@H]1CO[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)N1CCCC1 ZINC001164939975 721916626 /nfs/dbraw/zinc/91/66/26/721916626.db2.gz XORBAOYNJZLTSU-AMGIVPHBSA-N 1 2 477.609 2.412 20 0 JEADLO O=C(CO[C@@H]1CO[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)C1)N1CCCC1 ZINC001164939977 721916866 /nfs/dbraw/zinc/91/68/66/721916866.db2.gz XORBAOYNJZLTSU-WXVAWEFUSA-N 1 2 477.609 2.412 20 0 JEADLO O=C(CO[C@@H]1CO[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)C1)N1CCCC1 ZINC001164939977 721916868 /nfs/dbraw/zinc/91/68/68/721916868.db2.gz XORBAOYNJZLTSU-WXVAWEFUSA-N 1 2 477.609 2.412 20 0 JEADLO CC(=O)NCc1ncn2c1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC001164998701 722228048 /nfs/dbraw/zinc/22/80/48/722228048.db2.gz DMDVSKWYWSPRCT-UHFFFAOYSA-N 1 2 487.608 2.283 20 0 JEADLO