smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1ccnc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416613 718889493 /nfs/dbraw/zinc/88/94/93/718889493.db2.gz DQYRAGFWIIHHPV-NSHDSACASA-N 1 2 444.667 3.663 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)c(F)cn1)CC2 ZINC001164663563 719348500 /nfs/dbraw/zinc/34/85/00/719348500.db2.gz KQVKGNKCRKXBIV-UHFFFAOYSA-N 1 2 449.530 3.702 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)c(F)cn1)CC2 ZINC001164663563 719348503 /nfs/dbraw/zinc/34/85/03/719348503.db2.gz KQVKGNKCRKXBIV-UHFFFAOYSA-N 1 2 449.530 3.702 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CSCC4)CC3)cc1 ZINC001164673791 719495807 /nfs/dbraw/zinc/49/58/07/719495807.db2.gz SANMFUHPCSEBDH-UHFFFAOYSA-N 1 2 448.995 3.930 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CSCC4)CC3)cc1 ZINC001164673791 719495812 /nfs/dbraw/zinc/49/58/12/719495812.db2.gz SANMFUHPCSEBDH-UHFFFAOYSA-N 1 2 448.995 3.930 20 0 IHADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674385 719497620 /nfs/dbraw/zinc/49/76/20/719497620.db2.gz VULGVAZEMFBTDM-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674385 719497630 /nfs/dbraw/zinc/49/76/30/719497630.db2.gz VULGVAZEMFBTDM-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4cccnc42)CC3)cc1 ZINC001164673679 719500184 /nfs/dbraw/zinc/50/01/84/719500184.db2.gz QQNNIJCAIWTZAV-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4cccnc42)CC3)cc1 ZINC001164673679 719500189 /nfs/dbraw/zinc/50/01/89/719500189.db2.gz QQNNIJCAIWTZAV-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(C)c1 ZINC001164674438 719501482 /nfs/dbraw/zinc/50/14/82/719501482.db2.gz XHNYGGGAPSAUQV-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(C)c1 ZINC001164674438 719501492 /nfs/dbraw/zinc/50/14/92/719501492.db2.gz XHNYGGGAPSAUQV-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673949 719517424 /nfs/dbraw/zinc/51/74/24/719517424.db2.gz VAAJZUVNMCPCON-VMPITWQZSA-N 1 2 439.531 3.587 20 0 IHADLO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673949 719517433 /nfs/dbraw/zinc/51/74/33/719517433.db2.gz VAAJZUVNMCPCON-VMPITWQZSA-N 1 2 439.531 3.587 20 0 IHADLO CC1CCN(c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)CC1 ZINC001164671724 719523241 /nfs/dbraw/zinc/52/32/41/719523241.db2.gz JAUVNLRFVCBQCJ-UHFFFAOYSA-N 1 2 439.579 3.723 20 0 IHADLO CC1CCN(c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)CC1 ZINC001164671724 719523243 /nfs/dbraw/zinc/52/32/43/719523243.db2.gz JAUVNLRFVCBQCJ-UHFFFAOYSA-N 1 2 439.579 3.723 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)ncc1Cl ZINC001164720817 720311610 /nfs/dbraw/zinc/31/16/10/720311610.db2.gz AGEMMHCHNQHPKY-OAHLLOKOSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164722772 720314210 /nfs/dbraw/zinc/31/42/10/720314210.db2.gz LHTATKOHPGQVKI-CQSZACIVSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(Cl)(Cl)Oc1ccc(Cl)nc1 ZINC001164724963 720316967 /nfs/dbraw/zinc/31/69/67/720316967.db2.gz UAQBQRTUDHDOJD-OAHLLOKOSA-N 1 2 446.766 3.716 20 0 IHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5ccccc5cc4C)CC3)C2=O)cs1 ZINC001164825804 720365290 /nfs/dbraw/zinc/36/52/90/720365290.db2.gz UULSLICVEQBFBN-UHFFFAOYSA-N 1 2 435.597 3.621 20 0 IHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5ccccc5cc4C)CC3)C2=O)cs1 ZINC001164825804 720365298 /nfs/dbraw/zinc/36/52/98/720365298.db2.gz UULSLICVEQBFBN-UHFFFAOYSA-N 1 2 435.597 3.621 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784368 721424405 /nfs/dbraw/zinc/42/44/05/721424405.db2.gz LIWCNYCEXLNMKI-GASCZTMLSA-N 1 2 448.930 3.762 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784368 721424408 /nfs/dbraw/zinc/42/44/08/721424408.db2.gz LIWCNYCEXLNMKI-GASCZTMLSA-N 1 2 448.930 3.762 20 0 IHADLO Clc1cnc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1Cl ZINC001164916015 721784271 /nfs/dbraw/zinc/78/42/71/721784271.db2.gz NNAYDXYLKOVSHI-LJQANCHMSA-N 1 2 443.762 3.545 20 0 IHADLO Clc1cnc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1Cl ZINC001164916015 721784274 /nfs/dbraw/zinc/78/42/74/721784274.db2.gz NNAYDXYLKOVSHI-LJQANCHMSA-N 1 2 443.762 3.545 20 0 IHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164945120 721976191 /nfs/dbraw/zinc/97/61/91/721976191.db2.gz CYSDOGCBBDCECB-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164945120 721976193 /nfs/dbraw/zinc/97/61/93/721976193.db2.gz CYSDOGCBBDCECB-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO Cc1nc(C2CCCCC2)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945112 721977520 /nfs/dbraw/zinc/97/75/20/721977520.db2.gz CMNGWAXJKCSWJI-UHFFFAOYSA-N 1 2 433.600 3.804 20 0 IHADLO Cc1nc(C2CCCCC2)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945112 721977525 /nfs/dbraw/zinc/97/75/25/721977525.db2.gz CMNGWAXJKCSWJI-UHFFFAOYSA-N 1 2 433.600 3.804 20 0 IHADLO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C(F)(F)F ZINC000679931395 1126105665 /nfs/dbraw/zinc/10/56/65/1126105665.db2.gz XKALKTBYICMBOG-QZTJIDSGSA-N 1 2 428.817 3.684 20 0 IHADLO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1nc2ccccn2c1Br)C(F)(F)F ZINC000809617813 1126110647 /nfs/dbraw/zinc/11/06/47/1126110647.db2.gz BFDDSLUUSSVZDV-BBRMVZONSA-N 1 2 428.252 3.721 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4COC[C@H]4C3)c2c1C ZINC001164388033 718819275 /nfs/dbraw/zinc/81/92/75/718819275.db2.gz MJLUPTDEHYQSAU-IAGOWNOFSA-N 1 2 444.601 3.635 20 0 IHADLO F[C@H](Oc1ccnc(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418463 718890119 /nfs/dbraw/zinc/89/01/19/718890119.db2.gz NZKBLGAYPUVMBV-DYVFJYSZSA-N 1 2 441.688 3.851 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164663505 719349629 /nfs/dbraw/zinc/34/96/29/719349629.db2.gz IUGFBXJQNBJIPM-UHFFFAOYSA-N 1 2 430.556 3.735 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164663505 719349633 /nfs/dbraw/zinc/34/96/33/719349633.db2.gz IUGFBXJQNBJIPM-UHFFFAOYSA-N 1 2 430.556 3.735 20 0 IHADLO Cc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(-c2ccccn2)n1 ZINC001164670323 719521164 /nfs/dbraw/zinc/52/11/64/719521164.db2.gz CWLPFDIGVZZXKH-UHFFFAOYSA-N 1 2 433.531 3.858 20 0 IHADLO Cc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(-c2ccccn2)n1 ZINC001164670323 719521177 /nfs/dbraw/zinc/52/11/77/719521177.db2.gz CWLPFDIGVZZXKH-UHFFFAOYSA-N 1 2 433.531 3.858 20 0 IHADLO CCCSc1ncnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1OC ZINC001164677273 719533064 /nfs/dbraw/zinc/53/30/64/719533064.db2.gz CERSHSZFJGIWOW-UHFFFAOYSA-N 1 2 446.592 3.998 20 0 IHADLO CCCSc1ncnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1OC ZINC001164677273 719533069 /nfs/dbraw/zinc/53/30/69/719533069.db2.gz CERSHSZFJGIWOW-UHFFFAOYSA-N 1 2 446.592 3.998 20 0 IHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(SCc2ccccc2)ccn1 ZINC001164701685 719871945 /nfs/dbraw/zinc/87/19/45/719871945.db2.gz GQQPTRBPLSIHDC-HYBUGGRVSA-N 1 2 441.597 3.607 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164720868 720310865 /nfs/dbraw/zinc/31/08/65/720310865.db2.gz BSLSBDDITMOJOR-HNNXBMFYSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccnc(Cl)c1Cl ZINC001164721489 720312301 /nfs/dbraw/zinc/31/23/01/720312301.db2.gz HBJWURCDVRJJSC-AWEZNQCLSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc2ccccc2nc1Cl ZINC001164721966 720315565 /nfs/dbraw/zinc/31/55/65/720315565.db2.gz JGXVQKXMYYLAMO-QGZVFWFLSA-N 1 2 448.905 3.845 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Sc1ccc(Cl)nc1 ZINC001164726162 720317849 /nfs/dbraw/zinc/31/78/49/720317849.db2.gz YGRIDACVWNIUOL-HNNXBMFYSA-N 1 2 429.924 3.890 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001165008636 721716190 /nfs/dbraw/zinc/71/61/90/721716190.db2.gz JUMLYGHXISVPBS-UHFFFAOYSA-N 1 2 429.931 3.778 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001165008636 721716201 /nfs/dbraw/zinc/71/62/01/721716201.db2.gz JUMLYGHXISVPBS-UHFFFAOYSA-N 1 2 429.931 3.778 20 0 IHADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2c(Cl)cccc12 ZINC001164915165 721790765 /nfs/dbraw/zinc/79/07/65/721790765.db2.gz JEISAFJDQDQIGK-XMMPIXPASA-N 1 2 438.959 3.699 20 0 IHADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2c(Cl)cccc12 ZINC001164915165 721790768 /nfs/dbraw/zinc/79/07/68/721790768.db2.gz JEISAFJDQDQIGK-XMMPIXPASA-N 1 2 438.959 3.699 20 0 IHADLO Fc1ccc(Cl)c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164913727 721799785 /nfs/dbraw/zinc/79/97/85/721799785.db2.gz GKYVQWXYCYFRND-QHCPKHFHSA-N 1 2 442.922 3.530 20 0 IHADLO Fc1ccc(Cl)c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164913727 721799787 /nfs/dbraw/zinc/79/97/87/721799787.db2.gz GKYVQWXYCYFRND-QHCPKHFHSA-N 1 2 442.922 3.530 20 0 IHADLO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc2C)cc1 ZINC001164919966 721821052 /nfs/dbraw/zinc/82/10/52/721821052.db2.gz ZTIAVPMMSHPGSN-UHFFFAOYSA-N 1 2 446.599 3.639 20 0 IHADLO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)C(F)(F)F ZINC000677321534 1126105359 /nfs/dbraw/zinc/10/53/59/1126105359.db2.gz HNRRVVNJJWGLDI-AEFFLSMTSA-N 1 2 428.817 3.684 20 0 IHADLO O=C(NCc1nc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1)c1ccccc1 ZINC001620534890 1126240830 /nfs/dbraw/zinc/24/08/30/1126240830.db2.gz XUHXAOANPYOOEN-UYAOXDASSA-N 1 2 449.498 3.697 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4COC[C@H]4C3)c2c1C ZINC001164388032 718819176 /nfs/dbraw/zinc/81/91/76/718819176.db2.gz MJLUPTDEHYQSAU-DLBZAZTESA-N 1 2 444.601 3.635 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(C)[nH]c31)CC2 ZINC001164660560 719351813 /nfs/dbraw/zinc/35/18/13/719351813.db2.gz VGVSCPHQWZBAMN-UHFFFAOYSA-N 1 2 427.556 3.961 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(C)[nH]c31)CC2 ZINC001164660560 719351816 /nfs/dbraw/zinc/35/18/16/719351816.db2.gz VGVSCPHQWZBAMN-UHFFFAOYSA-N 1 2 427.556 3.961 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc(OC)c1C)CC2 ZINC001164662873 719355320 /nfs/dbraw/zinc/35/53/20/719355320.db2.gz AOFKVQSUESUPPF-UHFFFAOYSA-N 1 2 432.572 3.797 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc(OC)c1C)CC2 ZINC001164662873 719355323 /nfs/dbraw/zinc/35/53/23/719355323.db2.gz AOFKVQSUESUPPF-UHFFFAOYSA-N 1 2 432.572 3.797 20 0 IHADLO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164666724 719492256 /nfs/dbraw/zinc/49/22/56/719492256.db2.gz GMCRMPBBDVRNSG-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164666724 719492265 /nfs/dbraw/zinc/49/22/65/719492265.db2.gz GMCRMPBBDVRNSG-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO CCOC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C ZINC001164666914 719492377 /nfs/dbraw/zinc/49/23/77/719492377.db2.gz HJXKDDPPSQPNIA-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CCOC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C ZINC001164666914 719492386 /nfs/dbraw/zinc/49/23/86/719492386.db2.gz HJXKDDPPSQPNIA-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164721016 720313640 /nfs/dbraw/zinc/31/36/40/720313640.db2.gz CSTIACOQNLKKNE-INIZCTEOSA-N 1 2 436.894 3.779 20 0 IHADLO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788927 721428152 /nfs/dbraw/zinc/42/81/52/721428152.db2.gz UICGDZLPZIKBLD-STQMWFEESA-N 1 2 437.903 3.960 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164788999 721430242 /nfs/dbraw/zinc/43/02/42/721430242.db2.gz UXRNILLLJNFWGG-ZIAGYGMSSA-N 1 2 448.930 3.762 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3ccccc3nc2N2CCCC[C@H]2C)CC1 ZINC001164918861 721819030 /nfs/dbraw/zinc/81/90/30/721819030.db2.gz VZSUFOGGDNSAAB-LJQANCHMSA-N 1 2 445.615 3.955 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001164919967 721821375 /nfs/dbraw/zinc/82/13/75/721821375.db2.gz ZUSYFMLJYQWUAM-UHFFFAOYSA-N 1 2 431.968 3.636 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165043936 721959499 /nfs/dbraw/zinc/95/94/99/721959499.db2.gz AIMDFPINFPGBCC-UHFFFAOYSA-N 1 2 445.901 3.938 20 0 IHADLO Cc1c(Cl)nc(CC(C)C)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946415 721980875 /nfs/dbraw/zinc/98/08/75/721980875.db2.gz FJQCCQZTSUUNHX-UHFFFAOYSA-N 1 2 442.007 3.608 20 0 IHADLO Cc1c(Cl)nc(CC(C)C)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946415 721980877 /nfs/dbraw/zinc/98/08/77/721980877.db2.gz FJQCCQZTSUUNHX-UHFFFAOYSA-N 1 2 442.007 3.608 20 0 IHADLO CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)[nH+]c1C ZINC001164992324 722183627 /nfs/dbraw/zinc/18/36/27/722183627.db2.gz SHQVMRFAVSRVDY-UXHICEINSA-N 1 2 444.601 3.510 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC4(C3)CCCOC4)c2c1C ZINC001164413772 718882934 /nfs/dbraw/zinc/88/29/34/718882934.db2.gz MUIJQRLYPLBEOO-UHFFFAOYSA-N 1 2 444.601 3.779 20 0 IHADLO FC(F)(c1ccnc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416612 718889650 /nfs/dbraw/zinc/88/96/50/718889650.db2.gz DQYRAGFWIIHHPV-LLVKDONJSA-N 1 2 444.667 3.663 20 0 IHADLO FC(F)(c1nccnc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417445 718890537 /nfs/dbraw/zinc/89/05/37/718890537.db2.gz KCRXVHRMTQHDCN-NSHDSACASA-N 1 2 444.667 3.663 20 0 IHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@H]5[C@H]4CC[C@@H]5OCC4CCCC4)c3C2)cc1 ZINC001164659249 719342290 /nfs/dbraw/zinc/34/22/90/719342290.db2.gz AQBMPNJTMRGSLF-ZNZIZOMTSA-N 1 2 448.611 3.978 20 0 IHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@H]5[C@H]4CC[C@@H]5OCC4CCCC4)c3C2)cc1 ZINC001164659249 719342295 /nfs/dbraw/zinc/34/22/95/719342295.db2.gz AQBMPNJTMRGSLF-ZNZIZOMTSA-N 1 2 448.611 3.978 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CSC4)CC3)cc1 ZINC001164672285 719501463 /nfs/dbraw/zinc/50/14/63/719501463.db2.gz IGLUYHWMYMGLLV-UHFFFAOYSA-N 1 2 434.968 3.887 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CSC4)CC3)cc1 ZINC001164672285 719501466 /nfs/dbraw/zinc/50/14/66/719501466.db2.gz IGLUYHWMYMGLLV-UHFFFAOYSA-N 1 2 434.968 3.887 20 0 IHADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164672774 719511541 /nfs/dbraw/zinc/51/15/41/719511541.db2.gz NSJZIRHAXQCHPH-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164672774 719511547 /nfs/dbraw/zinc/51/15/47/719511547.db2.gz NSJZIRHAXQCHPH-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)cc(Cl)n1 ZINC001164702425 719853757 /nfs/dbraw/zinc/85/37/57/719853757.db2.gz NBHPSIQHFGIAEX-XXBNENTESA-N 1 2 429.948 3.635 20 0 IHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc3ccccc32)nn1 ZINC001164705735 719872701 /nfs/dbraw/zinc/87/27/01/719872701.db2.gz OIVIPKHOXRPZOU-IBVKSMDESA-N 1 2 446.551 3.530 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164724964 720311836 /nfs/dbraw/zinc/31/18/36/720311836.db2.gz UBLSDTGNEXXSHZ-AWEZNQCLSA-N 1 2 432.302 3.951 20 0 IHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5cccc(C)c5n4)CC3)C2=O)cs1 ZINC001164826787 720358622 /nfs/dbraw/zinc/35/86/22/720358622.db2.gz ZCCDWZLTNIGCIF-UHFFFAOYSA-N 1 2 435.597 3.621 20 0 IHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5cccc(C)c5n4)CC3)C2=O)cs1 ZINC001164826787 720358627 /nfs/dbraw/zinc/35/86/27/720358627.db2.gz ZCCDWZLTNIGCIF-UHFFFAOYSA-N 1 2 435.597 3.621 20 0 IHADLO O=C1CC[C@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)N1c1ccccc1 ZINC001164846846 720762671 /nfs/dbraw/zinc/76/26/71/720762671.db2.gz KFKHJJSAXLLOFV-LOSJGSFVSA-N 1 2 439.563 3.809 20 0 IHADLO O=C1CC[C@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)N1c1ccccc1 ZINC001164846846 720762682 /nfs/dbraw/zinc/76/26/82/720762682.db2.gz KFKHJJSAXLLOFV-LOSJGSFVSA-N 1 2 439.563 3.809 20 0 IHADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755782 720978191 /nfs/dbraw/zinc/97/81/91/720978191.db2.gz BUPNTDAMCOJXAA-CYBMUJFWSA-N 1 2 432.302 3.674 20 0 IHADLO FC(F)(c1nc(Cl)ncc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871271 721217799 /nfs/dbraw/zinc/21/77/99/721217799.db2.gz JJSYCYUPMUYDAS-UHFFFAOYSA-N 1 2 430.286 3.599 20 0 IHADLO FC(F)(c1nc2ccsc2c(Cl)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164790703 721399001 /nfs/dbraw/zinc/39/90/01/721399001.db2.gz XBCNPEDROZWNOS-QWRGUYRKSA-N 1 2 427.933 3.914 20 0 IHADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044010 721961981 /nfs/dbraw/zinc/96/19/81/721961981.db2.gz BYVUFZANMLIRHZ-UHFFFAOYSA-N 1 2 440.878 3.573 20 0 IHADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045834 721962244 /nfs/dbraw/zinc/96/22/44/721962244.db2.gz BXOBBQHOMPBPMU-UHFFFAOYSA-N 1 2 439.919 3.572 20 0 IHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164948114 721974606 /nfs/dbraw/zinc/97/46/06/721974606.db2.gz SWMGLPTUMGPEAA-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164948114 721974608 /nfs/dbraw/zinc/97/46/08/721974608.db2.gz SWMGLPTUMGPEAA-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164664145 719346031 /nfs/dbraw/zinc/34/60/31/719346031.db2.gz SJBFRGFTXYMFIU-UHFFFAOYSA-N 1 2 431.540 3.563 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164664145 719346035 /nfs/dbraw/zinc/34/60/35/719346035.db2.gz SJBFRGFTXYMFIU-UHFFFAOYSA-N 1 2 431.540 3.563 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cccnc31)CC2 ZINC001164663510 719347029 /nfs/dbraw/zinc/34/70/29/719347029.db2.gz IXAGSUIYHILTAP-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cccnc31)CC2 ZINC001164663510 719347030 /nfs/dbraw/zinc/34/70/30/719347030.db2.gz IXAGSUIYHILTAP-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO CCNC(=O)c1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164658922 719352010 /nfs/dbraw/zinc/35/20/10/719352010.db2.gz LZAJRJFRSNSYTR-UHFFFAOYSA-N 1 2 444.583 3.526 20 0 IHADLO CCNC(=O)c1cccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164658922 719352014 /nfs/dbraw/zinc/35/20/14/719352014.db2.gz LZAJRJFRSNSYTR-UHFFFAOYSA-N 1 2 444.583 3.526 20 0 IHADLO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677337 719565684 /nfs/dbraw/zinc/56/56/84/719565684.db2.gz ZBGAZZQLYUUVBT-OAQYLSRUSA-N 1 2 440.866 3.720 20 0 IHADLO Clc1ccc(OC(Cl)(Cl)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cn1 ZINC001164756300 720982292 /nfs/dbraw/zinc/98/22/92/720982292.db2.gz GOYWAXXZGUIOSA-AWEZNQCLSA-N 1 2 431.751 3.958 20 0 IHADLO C[C@H]1c2ncc(COCC3CC3)n2CCN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164875833 721239707 /nfs/dbraw/zinc/23/97/07/721239707.db2.gz XNAIVKRHXBZKMH-IBGZPJMESA-N 1 2 444.583 3.739 20 0 IHADLO C[C@H]1c2ncc(COCC3CC3)n2CCN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164875833 721239715 /nfs/dbraw/zinc/23/97/15/721239715.db2.gz XNAIVKRHXBZKMH-IBGZPJMESA-N 1 2 444.583 3.739 20 0 IHADLO Cc1nc2sc3c(c2c(N2CCCn4c(C[N@@H+](C)C(C)C)nnc4C2)n1)CCCC3 ZINC001165008521 721712138 /nfs/dbraw/zinc/71/21/38/721712138.db2.gz GHXSOFXCQKVXDN-UHFFFAOYSA-N 1 2 425.606 3.721 20 0 IHADLO Cc1nc2sc3c(c2c(N2CCCn4c(C[N@H+](C)C(C)C)nnc4C2)n1)CCCC3 ZINC001165008521 721712143 /nfs/dbraw/zinc/71/21/43/721712143.db2.gz GHXSOFXCQKVXDN-UHFFFAOYSA-N 1 2 425.606 3.721 20 0 IHADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2c(Cl)cccc12 ZINC001164915164 721790575 /nfs/dbraw/zinc/79/05/75/721790575.db2.gz JEISAFJDQDQIGK-DEOSSOPVSA-N 1 2 438.959 3.699 20 0 IHADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2c(Cl)cccc12 ZINC001164915164 721790581 /nfs/dbraw/zinc/79/05/81/721790581.db2.gz JEISAFJDQDQIGK-DEOSSOPVSA-N 1 2 438.959 3.699 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc3ccsc3c(Cl)n2)CC1 ZINC001164917939 721813814 /nfs/dbraw/zinc/81/38/14/721813814.db2.gz RDYFOHLTCAXKFG-UHFFFAOYSA-N 1 2 438.935 3.836 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc3ccsc3c(Cl)n2)CC1 ZINC001164917939 721813815 /nfs/dbraw/zinc/81/38/15/721813815.db2.gz RDYFOHLTCAXKFG-UHFFFAOYSA-N 1 2 438.935 3.836 20 0 IHADLO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C(F)(F)F ZINC000679931396 1126105589 /nfs/dbraw/zinc/10/55/89/1126105589.db2.gz XKALKTBYICMBOG-ROUUACIJSA-N 1 2 428.817 3.684 20 0 IHADLO O=C(Cc1nc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1)Nc1ccccc1 ZINC001560100993 1126207765 /nfs/dbraw/zinc/20/77/65/1126207765.db2.gz ZJTXMGKDQVTDLU-GHTZIAJQSA-N 1 2 449.498 3.948 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164664168 719349886 /nfs/dbraw/zinc/34/98/86/719349886.db2.gz SQGNCGPLVBYKPV-UHFFFAOYSA-N 1 2 429.572 3.529 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164664168 719349891 /nfs/dbraw/zinc/34/98/91/719349891.db2.gz SQGNCGPLVBYKPV-UHFFFAOYSA-N 1 2 429.572 3.529 20 0 IHADLO CC1(C)OCc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673669 719501566 /nfs/dbraw/zinc/50/15/66/719501566.db2.gz QNPYVISIBRONAM-UHFFFAOYSA-N 1 2 446.954 3.906 20 0 IHADLO CC1(C)OCc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673669 719501570 /nfs/dbraw/zinc/50/15/70/719501570.db2.gz QNPYVISIBRONAM-UHFFFAOYSA-N 1 2 446.954 3.906 20 0 IHADLO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673964 719513194 /nfs/dbraw/zinc/51/31/94/719513194.db2.gz VZCUHHYAQQODMA-UHFFFAOYSA-N 1 2 449.530 3.558 20 0 IHADLO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673964 719513201 /nfs/dbraw/zinc/51/32/01/719513201.db2.gz VZCUHHYAQQODMA-UHFFFAOYSA-N 1 2 449.530 3.558 20 0 IHADLO CCOC(=O)c1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164674048 719516704 /nfs/dbraw/zinc/51/67/04/719516704.db2.gz ZEZGFAXKNJKQFT-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO CCOC(=O)c1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164674048 719516714 /nfs/dbraw/zinc/51/67/14/719516714.db2.gz ZEZGFAXKNJKQFT-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO COC(OC)c1cc(C)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673955 719516875 /nfs/dbraw/zinc/51/68/75/719516875.db2.gz VMEGCPOZEAVHSH-UHFFFAOYSA-N 1 2 429.536 3.692 20 0 IHADLO COC(OC)c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673955 719516883 /nfs/dbraw/zinc/51/68/83/719516883.db2.gz VMEGCPOZEAVHSH-UHFFFAOYSA-N 1 2 429.536 3.692 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc(-c4cccc(F)c4)n2)CC3)cc1 ZINC001164671754 719526164 /nfs/dbraw/zinc/52/61/64/719526164.db2.gz JLVRIIXHWJSWEV-UHFFFAOYSA-N 1 2 437.494 3.688 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc(-c4cccc(F)c4)n2)CC3)cc1 ZINC001164671754 719526182 /nfs/dbraw/zinc/52/61/82/719526182.db2.gz JLVRIIXHWJSWEV-UHFFFAOYSA-N 1 2 437.494 3.688 20 0 IHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(-c2ccccc2)n1 ZINC001164706005 719852804 /nfs/dbraw/zinc/85/28/04/719852804.db2.gz VYZVJMKRVXWETG-FNZWTVRRSA-N 1 2 446.551 3.530 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164724965 720311021 /nfs/dbraw/zinc/31/10/21/720311021.db2.gz UBLSDTGNEXXSHZ-CQSZACIVSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164725025 720315184 /nfs/dbraw/zinc/31/51/84/720315184.db2.gz UXZCYZBJKRUWBE-OAHLLOKOSA-N 1 2 436.894 3.779 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164722259 720317529 /nfs/dbraw/zinc/31/75/29/720317529.db2.gz JWYSNTVRYWBWOS-QGZVFWFLSA-N 1 2 437.922 3.872 20 0 IHADLO COc1ccc(Cc2c(C)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2C)cc1 ZINC001165010391 721719892 /nfs/dbraw/zinc/71/98/92/721719892.db2.gz GXWBIKUWOPEBBO-UHFFFAOYSA-N 1 2 449.603 3.535 20 0 IHADLO COc1ccc(Cc2c(C)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2C)cc1 ZINC001165010391 721719896 /nfs/dbraw/zinc/71/98/96/721719896.db2.gz GXWBIKUWOPEBBO-UHFFFAOYSA-N 1 2 449.603 3.535 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001165011844 721721057 /nfs/dbraw/zinc/72/10/57/721721057.db2.gz WNFVFKYMRRBVKV-UHFFFAOYSA-N 1 2 445.930 3.903 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1cccc(F)c1)C2 ZINC001165011844 721721062 /nfs/dbraw/zinc/72/10/62/721721062.db2.gz WNFVFKYMRRBVKV-UHFFFAOYSA-N 1 2 445.930 3.903 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)c3ccccc3n2)CC1 ZINC001164915800 721813060 /nfs/dbraw/zinc/81/30/60/721813060.db2.gz CCDHOGOMBPVOIJ-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)c3ccccc3n2)CC1 ZINC001164915800 721813061 /nfs/dbraw/zinc/81/30/61/721813061.db2.gz CCDHOGOMBPVOIJ-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(Cl)nc(-c3ccc(F)cc3)n2)CC1 ZINC001164918667 721819777 /nfs/dbraw/zinc/81/97/77/721819777.db2.gz GMAKHNUGBREDRR-UHFFFAOYSA-N 1 2 426.927 3.882 20 0 IHADLO CCc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)cc1 ZINC001164948124 721979801 /nfs/dbraw/zinc/97/98/01/721979801.db2.gz JIJPIBZAWKCGBQ-UHFFFAOYSA-N 1 2 441.579 3.677 20 0 IHADLO CCc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)cc1 ZINC001164948124 721979803 /nfs/dbraw/zinc/97/98/03/721979803.db2.gz JIJPIBZAWKCGBQ-UHFFFAOYSA-N 1 2 441.579 3.677 20 0 IHADLO F[C@H](Oc1cccc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420329 718890465 /nfs/dbraw/zinc/89/04/65/718890465.db2.gz UHYMQLQQFNNZRY-SJCJKPOMSA-N 1 2 441.688 3.851 20 0 IHADLO F[C@H](Oc1cccc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420328 718890661 /nfs/dbraw/zinc/89/06/61/718890661.db2.gz UHYMQLQQFNNZRY-PXAZEXFGSA-N 1 2 441.688 3.851 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)ncc1Cl)CC2 ZINC001164658531 719355511 /nfs/dbraw/zinc/35/55/11/719355511.db2.gz IHYSUVUVNBVOOI-UHFFFAOYSA-N 1 2 438.963 3.833 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)ncc1Cl)CC2 ZINC001164658531 719355513 /nfs/dbraw/zinc/35/55/13/719355513.db2.gz IHYSUVUVNBVOOI-UHFFFAOYSA-N 1 2 438.963 3.833 20 0 IHADLO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1Cl ZINC001164673906 719496594 /nfs/dbraw/zinc/49/65/94/719496594.db2.gz UWFGDTWKJFREFM-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1Cl ZINC001164673906 719496603 /nfs/dbraw/zinc/49/66/03/719496603.db2.gz UWFGDTWKJFREFM-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccnc(-c4nccs4)n2)CC3)cc1 ZINC001164677361 719532357 /nfs/dbraw/zinc/53/23/57/719532357.db2.gz DCPLGDGFGFJESV-UHFFFAOYSA-N 1 2 425.533 3.611 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccnc(-c4nccs4)n2)CC3)cc1 ZINC001164677361 719532363 /nfs/dbraw/zinc/53/23/63/719532363.db2.gz DCPLGDGFGFJESV-UHFFFAOYSA-N 1 2 425.533 3.611 20 0 IHADLO COc1ccc2nc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)nc(Cl)c2c1 ZINC001164677166 719566063 /nfs/dbraw/zinc/56/60/63/719566063.db2.gz UWPSRYAWNKQITJ-UHFFFAOYSA-N 1 2 446.845 3.632 20 0 IHADLO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831553 720399154 /nfs/dbraw/zinc/39/91/54/720399154.db2.gz WLRHANUZAXZPIE-UHFFFAOYSA-N 1 2 448.692 3.833 20 0 IHADLO O=C1CC[C@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)N1c1ccccc1 ZINC001164846843 720762427 /nfs/dbraw/zinc/76/24/27/720762427.db2.gz KFKHJJSAXLLOFV-DQEYMECFSA-N 1 2 439.563 3.809 20 0 IHADLO O=C1CC[C@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)N1c1ccccc1 ZINC001164846843 720762436 /nfs/dbraw/zinc/76/24/36/720762436.db2.gz KFKHJJSAXLLOFV-DQEYMECFSA-N 1 2 439.563 3.809 20 0 IHADLO FC(F)(COc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770719 721274705 /nfs/dbraw/zinc/27/47/05/721274705.db2.gz XSTRZKZJFOXABL-OAHLLOKOSA-N 1 2 435.862 3.509 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(Cc3ccccc3)n1)C2 ZINC001165009652 721701296 /nfs/dbraw/zinc/70/12/96/721701296.db2.gz BNZSUAWUABTTIV-UHFFFAOYSA-N 1 2 425.968 3.563 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(Cc3ccccc3)n1)C2 ZINC001165009652 721701303 /nfs/dbraw/zinc/70/13/03/721701303.db2.gz BNZSUAWUABTTIV-UHFFFAOYSA-N 1 2 425.968 3.563 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001165010517 721717654 /nfs/dbraw/zinc/71/76/54/721717654.db2.gz IICFOGFXCILNHT-UHFFFAOYSA-N 1 2 434.573 3.595 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001165010517 721717665 /nfs/dbraw/zinc/71/76/65/721717665.db2.gz IICFOGFXCILNHT-UHFFFAOYSA-N 1 2 434.573 3.595 20 0 IHADLO COc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)c(Cl)nn2)c1 ZINC001165043622 721926461 /nfs/dbraw/zinc/92/64/61/721926461.db2.gz NLVUBORUJVQYHG-QGZVFWFLSA-N 1 2 438.906 3.652 20 0 IHADLO COC(=O)c1nc(Cl)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164998882 722212618 /nfs/dbraw/zinc/21/26/18/722212618.db2.gz YLJWRICULWZTHY-FQEVSTJZSA-N 1 2 439.318 3.954 20 0 IHADLO COC(=O)c1nc(Cl)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164998882 722212620 /nfs/dbraw/zinc/21/26/20/722212620.db2.gz YLJWRICULWZTHY-FQEVSTJZSA-N 1 2 439.318 3.954 20 0 IHADLO FC(F)(c1cnnc(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417289 718890505 /nfs/dbraw/zinc/89/05/05/718890505.db2.gz IZQOSSZSEGCGHU-LBPRGKRZSA-N 1 2 444.667 3.663 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)ccn1)CC2 ZINC001164663389 719345763 /nfs/dbraw/zinc/34/57/63/719345763.db2.gz FRRRTOFPOMLVCQ-UHFFFAOYSA-N 1 2 431.540 3.563 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)ccn1)CC2 ZINC001164663389 719345765 /nfs/dbraw/zinc/34/57/65/719345765.db2.gz FRRRTOFPOMLVCQ-UHFFFAOYSA-N 1 2 431.540 3.563 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164725475 720314742 /nfs/dbraw/zinc/31/47/42/720314742.db2.gz VUCNAVWTLDSXPC-SFHVURJKSA-N 1 2 448.905 3.845 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164722257 720317837 /nfs/dbraw/zinc/31/78/37/720317837.db2.gz JWYSNTVRYWBWOS-KRWDZBQOSA-N 1 2 437.922 3.872 20 0 IHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5ccccc5)ccn4)CC3)C2=O)cs1 ZINC001164826774 720364129 /nfs/dbraw/zinc/36/41/29/720364129.db2.gz YZKWJMMYCAFDSB-UHFFFAOYSA-N 1 2 447.608 3.827 20 0 IHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5ccccc5)ccn4)CC3)C2=O)cs1 ZINC001164826774 720364136 /nfs/dbraw/zinc/36/41/36/720364136.db2.gz YZKWJMMYCAFDSB-UHFFFAOYSA-N 1 2 447.608 3.827 20 0 IHADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164801205 721560783 /nfs/dbraw/zinc/56/07/83/721560783.db2.gz GLGQVSIJYXUNCN-XJUOHMSHSA-N 1 2 442.007 3.594 20 0 IHADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164801205 721560787 /nfs/dbraw/zinc/56/07/87/721560787.db2.gz GLGQVSIJYXUNCN-XJUOHMSHSA-N 1 2 442.007 3.594 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001165010986 721720110 /nfs/dbraw/zinc/72/01/10/721720110.db2.gz LSBKQKFHBDNKII-UHFFFAOYSA-N 1 2 441.967 3.551 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001165010986 721720116 /nfs/dbraw/zinc/72/01/16/721720116.db2.gz LSBKQKFHBDNKII-UHFFFAOYSA-N 1 2 441.967 3.551 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001165010586 721720441 /nfs/dbraw/zinc/72/04/41/721720441.db2.gz JNGCLULBQIFHFR-UHFFFAOYSA-N 1 2 435.306 3.655 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001165010586 721720449 /nfs/dbraw/zinc/72/04/49/721720449.db2.gz JNGCLULBQIFHFR-UHFFFAOYSA-N 1 2 435.306 3.655 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc3ccccc3nc2Cl)CC1 ZINC001164918742 721817064 /nfs/dbraw/zinc/81/70/64/721817064.db2.gz STOMLDWKQPAMPS-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc3ccccc3nc2Cl)CC1 ZINC001164918742 721817066 /nfs/dbraw/zinc/81/70/66/721817066.db2.gz STOMLDWKQPAMPS-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)CC1 ZINC001164918763 721817106 /nfs/dbraw/zinc/81/71/06/721817106.db2.gz UJOBGJOICNAKFN-UHFFFAOYSA-N 1 2 431.968 3.636 20 0 IHADLO CC(C)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(C(C)(C)C)n1 ZINC001164947553 721979588 /nfs/dbraw/zinc/97/95/88/721979588.db2.gz HSNZLAFJTNRWMA-UHFFFAOYSA-N 1 2 435.616 3.869 20 0 IHADLO CC(C)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(C(C)(C)C)n1 ZINC001164947553 721979590 /nfs/dbraw/zinc/97/95/90/721979590.db2.gz HSNZLAFJTNRWMA-UHFFFAOYSA-N 1 2 435.616 3.869 20 0 IHADLO CCOC(=O)c1c(C)cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)[nH+]c1C ZINC001164992327 722183676 /nfs/dbraw/zinc/18/36/76/722183676.db2.gz SHQVMRFAVSRVDY-WOJBJXKFSA-N 1 2 444.601 3.510 20 0 IHADLO COc1ccc(C[C@](C)(CO)[NH2+]Cc2noc(Cc3ccc(Br)cc3)n2)cc1 ZINC001560182012 1126208468 /nfs/dbraw/zinc/20/84/68/1126208468.db2.gz BURZZOSRLMTBMY-OAQYLSRUSA-N 1 2 446.345 3.515 20 0 IHADLO FC(F)(c1nccnc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417444 718890389 /nfs/dbraw/zinc/89/03/89/718890389.db2.gz KCRXVHRMTQHDCN-LLVKDONJSA-N 1 2 444.667 3.663 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164663409 719348613 /nfs/dbraw/zinc/34/86/13/719348613.db2.gz GECZMXLRYDILLC-UHFFFAOYSA-N 1 2 444.370 3.873 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164663409 719348617 /nfs/dbraw/zinc/34/86/17/719348617.db2.gz GECZMXLRYDILLC-UHFFFAOYSA-N 1 2 444.370 3.873 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3nc(C)n(C)c3n1)CC2 ZINC001164664068 719350574 /nfs/dbraw/zinc/35/05/74/719350574.db2.gz PVJYBTYIFNFQJG-UHFFFAOYSA-N 1 2 441.583 3.971 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3nc(C)n(C)c3n1)CC2 ZINC001164664068 719350577 /nfs/dbraw/zinc/35/05/77/719350577.db2.gz PVJYBTYIFNFQJG-UHFFFAOYSA-N 1 2 441.583 3.971 20 0 IHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)cc(Cl)n1 ZINC001164702422 719853816 /nfs/dbraw/zinc/85/38/16/719853816.db2.gz NBHPSIQHFGIAEX-AUSIDOKSSA-N 1 2 429.948 3.635 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001164720828 720311811 /nfs/dbraw/zinc/31/18/11/720311811.db2.gz ARTCVHYLIKDCAE-KRWDZBQOSA-N 1 2 448.905 3.845 20 0 IHADLO O=C1CC[C@@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)N1c1ccccc1 ZINC001164846849 720762461 /nfs/dbraw/zinc/76/24/61/720762461.db2.gz KFKHJJSAXLLOFV-RPBOFIJWSA-N 1 2 439.563 3.809 20 0 IHADLO O=C1CC[C@@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)N1c1ccccc1 ZINC001164846849 720762477 /nfs/dbraw/zinc/76/24/77/720762477.db2.gz KFKHJJSAXLLOFV-RPBOFIJWSA-N 1 2 439.563 3.809 20 0 IHADLO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)n1 ZINC001164872935 721218588 /nfs/dbraw/zinc/21/85/88/721218588.db2.gz PEJICVOHWMSWCN-UHFFFAOYSA-N 1 2 441.935 3.668 20 0 IHADLO Fc1ccc2nc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164789019 721408543 /nfs/dbraw/zinc/40/85/43/721408543.db2.gz UJUXONNXPHAIRO-RYUDHWBXSA-N 1 2 439.894 3.992 20 0 IHADLO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788923 721428204 /nfs/dbraw/zinc/42/82/04/721428204.db2.gz UICGDZLPZIKBLD-BETUJISGSA-N 1 2 437.903 3.960 20 0 IHADLO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788923 721428207 /nfs/dbraw/zinc/42/82/07/721428207.db2.gz UICGDZLPZIKBLD-BETUJISGSA-N 1 2 437.903 3.960 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001165011232 721698230 /nfs/dbraw/zinc/69/82/30/721698230.db2.gz ZNXRWHKMKQCBPS-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001165011232 721698234 /nfs/dbraw/zinc/69/82/34/721698234.db2.gz ZNXRWHKMKQCBPS-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001165009056 721713137 /nfs/dbraw/zinc/71/31/37/721713137.db2.gz OCSDMIVVGHMGNX-UHFFFAOYSA-N 1 2 428.544 3.534 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001165009056 721713142 /nfs/dbraw/zinc/71/31/42/721713142.db2.gz OCSDMIVVGHMGNX-UHFFFAOYSA-N 1 2 428.544 3.534 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3cnc(Cl)nc3c2)CC1 ZINC001164917816 721817239 /nfs/dbraw/zinc/81/72/39/721817239.db2.gz IBGLSSYAIWKYGN-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3cnc(Cl)nc3c2)CC1 ZINC001164917816 721817240 /nfs/dbraw/zinc/81/72/40/721817240.db2.gz IBGLSSYAIWKYGN-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO COc1ccc(Oc2cc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc(C)n2)cc1 ZINC001164919213 721820668 /nfs/dbraw/zinc/82/06/68/721820668.db2.gz OFKHBRVBBDCCDO-UHFFFAOYSA-N 1 2 434.544 3.532 20 0 IHADLO CCOC(=O)c1ccc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)n1 ZINC001165045580 721959104 /nfs/dbraw/zinc/95/91/04/721959104.db2.gz ZQBDAPGPBXBEQR-UHFFFAOYSA-N 1 2 439.890 3.658 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4COC[C@@H]4C3)c2c1C ZINC001164388035 718819146 /nfs/dbraw/zinc/81/91/46/718819146.db2.gz MJLUPTDEHYQSAU-SJORKVTESA-N 1 2 444.601 3.635 20 0 IHADLO FC(F)(c1nccc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164422154 718890053 /nfs/dbraw/zinc/89/00/53/718890053.db2.gz ZYXTYOYWLJQGRF-LLVKDONJSA-N 1 2 444.667 3.663 20 0 IHADLO FC(F)(c1cncc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417993 718890338 /nfs/dbraw/zinc/89/03/38/718890338.db2.gz MKYUPOWBIIXDGZ-NSHDSACASA-N 1 2 444.667 3.663 20 0 IHADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671057 719494949 /nfs/dbraw/zinc/49/49/49/719494949.db2.gz ZFRKAJKWQDZFIL-YFHOEESVSA-N 1 2 439.531 3.668 20 0 IHADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671057 719494954 /nfs/dbraw/zinc/49/49/54/719494954.db2.gz ZFRKAJKWQDZFIL-YFHOEESVSA-N 1 2 439.531 3.668 20 0 IHADLO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1C ZINC001164672747 719510208 /nfs/dbraw/zinc/51/02/08/719510208.db2.gz NEOVOWBDABGLAL-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1C ZINC001164672747 719510219 /nfs/dbraw/zinc/51/02/19/719510219.db2.gz NEOVOWBDABGLAL-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673982 719519299 /nfs/dbraw/zinc/51/92/99/719519299.db2.gz WVUOSBOWRVLGRL-UHFFFAOYSA-N 1 2 434.943 3.677 20 0 IHADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673982 719519310 /nfs/dbraw/zinc/51/93/10/719519310.db2.gz WVUOSBOWRVLGRL-UHFFFAOYSA-N 1 2 434.943 3.677 20 0 IHADLO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829851 720400133 /nfs/dbraw/zinc/40/01/33/720400133.db2.gz OKRIMASVAZTGPX-UHFFFAOYSA-N 1 2 445.861 3.787 20 0 IHADLO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869018 721217101 /nfs/dbraw/zinc/21/71/01/721217101.db2.gz AEQWLUAFOFYIIL-UHFFFAOYSA-N 1 2 430.286 3.599 20 0 IHADLO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164788925 721428035 /nfs/dbraw/zinc/42/80/35/721428035.db2.gz UICGDZLPZIKBLD-CHWSQXEVSA-N 1 2 437.903 3.960 20 0 IHADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CCCO[C@H]21 ZINC001164801201 721560620 /nfs/dbraw/zinc/56/06/20/721560620.db2.gz GLGQVSIJYXUNCN-MQSCRBSSSA-N 1 2 442.007 3.594 20 0 IHADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CCCO[C@H]21 ZINC001164801201 721560624 /nfs/dbraw/zinc/56/06/24/721560624.db2.gz GLGQVSIJYXUNCN-MQSCRBSSSA-N 1 2 442.007 3.594 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001165008133 721714129 /nfs/dbraw/zinc/71/41/29/721714129.db2.gz BGBFPCVYHDUXNC-UHFFFAOYSA-N 1 2 428.544 3.534 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001165008133 721714133 /nfs/dbraw/zinc/71/41/33/721714133.db2.gz BGBFPCVYHDUXNC-UHFFFAOYSA-N 1 2 428.544 3.534 20 0 IHADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2cc(Cl)ccc12 ZINC001164916695 721788910 /nfs/dbraw/zinc/78/89/10/721788910.db2.gz SLWKYKMUSMJKOJ-XMMPIXPASA-N 1 2 438.959 3.699 20 0 IHADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2cc(Cl)ccc12 ZINC001164916695 721788911 /nfs/dbraw/zinc/78/89/11/721788911.db2.gz SLWKYKMUSMJKOJ-XMMPIXPASA-N 1 2 438.959 3.699 20 0 IHADLO CSc1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)nc1Cl ZINC001164918853 721816625 /nfs/dbraw/zinc/81/66/25/721816625.db2.gz VXYQLPCKJHMAJG-UHFFFAOYSA-N 1 2 427.952 3.948 20 0 IHADLO CSc1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)nc1Cl ZINC001164918853 721816628 /nfs/dbraw/zinc/81/66/28/721816628.db2.gz VXYQLPCKJHMAJG-UHFFFAOYSA-N 1 2 427.952 3.948 20 0 IHADLO O=C(c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1)N1CCCCC1 ZINC000497629721 721959934 /nfs/dbraw/zinc/95/99/34/721959934.db2.gz YRRNBFNBVJYGHH-UHFFFAOYSA-N 1 2 428.964 3.562 20 0 IHADLO Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948190 721980716 /nfs/dbraw/zinc/98/07/16/721980716.db2.gz JXEIZAISMXXQQW-UHFFFAOYSA-N 1 2 445.542 3.562 20 0 IHADLO Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948190 721980719 /nfs/dbraw/zinc/98/07/19/721980719.db2.gz JXEIZAISMXXQQW-UHFFFAOYSA-N 1 2 445.542 3.562 20 0 IHADLO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001474449640 1126204632 /nfs/dbraw/zinc/20/46/32/1126204632.db2.gz WHJBLFSKVUXIQO-CQSZACIVSA-N 1 2 429.152 3.919 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(CCOC4)C3)c2c1C ZINC001164388806 718807696 /nfs/dbraw/zinc/80/76/96/718807696.db2.gz CUMOQCVRRONQFC-QHCPKHFHSA-N 1 2 444.601 3.779 20 0 IHADLO FC(F)(c1ccc(Cl)nn1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164422146 718889916 /nfs/dbraw/zinc/88/99/16/718889916.db2.gz ZYIYCPUDLFRASA-LLVKDONJSA-N 1 2 444.667 3.663 20 0 IHADLO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164668315 719492345 /nfs/dbraw/zinc/49/23/45/719492345.db2.gz OTNFBSLBXBVDHY-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164668315 719492354 /nfs/dbraw/zinc/49/23/54/719492354.db2.gz OTNFBSLBXBVDHY-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4ncsc42)CC3)cc1 ZINC001164674426 719508547 /nfs/dbraw/zinc/50/85/47/719508547.db2.gz XDGBXDAULXJCSC-UHFFFAOYSA-N 1 2 433.940 3.750 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4ncsc42)CC3)cc1 ZINC001164674426 719508555 /nfs/dbraw/zinc/50/85/55/719508555.db2.gz XDGBXDAULXJCSC-UHFFFAOYSA-N 1 2 433.940 3.750 20 0 IHADLO O=C1CC[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)N1c1ccccc1 ZINC001164846844 720762386 /nfs/dbraw/zinc/76/23/86/720762386.db2.gz KFKHJJSAXLLOFV-JWQCQUIFSA-N 1 2 439.563 3.809 20 0 IHADLO O=C1CC[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)N1c1ccccc1 ZINC001164846844 720762394 /nfs/dbraw/zinc/76/23/94/720762394.db2.gz KFKHJJSAXLLOFV-JWQCQUIFSA-N 1 2 439.563 3.809 20 0 IHADLO COc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1Cl ZINC001164767965 721274517 /nfs/dbraw/zinc/27/45/17/721274517.db2.gz IBGHAVFTQHVVKS-AWEZNQCLSA-N 1 2 435.862 3.595 20 0 IHADLO FC(F)(c1nc2ccsc2c(Cl)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164790701 721399277 /nfs/dbraw/zinc/39/92/77/721399277.db2.gz XBCNPEDROZWNOS-GHMZBOCLSA-N 1 2 427.933 3.914 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3ccccc3nc2N2CCCCC2)CC1 ZINC001164918299 721818299 /nfs/dbraw/zinc/81/82/99/721818299.db2.gz MNGVQLQRRDCIGJ-UHFFFAOYSA-N 1 2 431.588 3.566 20 0 IHADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948121 721978257 /nfs/dbraw/zinc/97/82/57/721978257.db2.gz TWINYABOBDVTAZ-UHFFFAOYSA-N 1 2 442.007 3.707 20 0 IHADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948121 721978259 /nfs/dbraw/zinc/97/82/59/721978259.db2.gz TWINYABOBDVTAZ-UHFFFAOYSA-N 1 2 442.007 3.707 20 0 IHADLO CCOC(=O)c1c(C)cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)[nH+]c1C ZINC001164992326 722183716 /nfs/dbraw/zinc/18/37/16/722183716.db2.gz SHQVMRFAVSRVDY-VQTJNVASSA-N 1 2 444.601 3.510 20 0 IHADLO CCCN(CCC)c1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc[nH+]1 ZINC001164990693 722184164 /nfs/dbraw/zinc/18/41/64/722184164.db2.gz OFINTWHXDQAFFE-NHCUHLMSSA-N 1 2 444.649 3.738 20 0 IHADLO CCCN(CCC)c1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)[nH+]cn1 ZINC001164990693 722184165 /nfs/dbraw/zinc/18/41/65/722184165.db2.gz OFINTWHXDQAFFE-NHCUHLMSSA-N 1 2 444.649 3.738 20 0 IHADLO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)C(F)(F)F ZINC000677321542 1126105371 /nfs/dbraw/zinc/10/53/71/1126105371.db2.gz HNRRVVNJJWGLDI-SJLPKXTDSA-N 1 2 428.817 3.684 20 0 IHADLO FC(F)(c1cc(Cl)ncn1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417284 718889618 /nfs/dbraw/zinc/88/96/18/718889618.db2.gz IYQDWJHMBJHYOP-LLVKDONJSA-N 1 2 444.667 3.663 20 0 IHADLO F[C@@H](Oc1cccc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420331 718890626 /nfs/dbraw/zinc/89/06/26/718890626.db2.gz UHYMQLQQFNNZRY-YVEFUNNKSA-N 1 2 441.688 3.851 20 0 IHADLO O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001164620781 719127934 /nfs/dbraw/zinc/12/79/34/719127934.db2.gz JZSXBSONMFPTCB-UHFFFAOYSA-N 1 2 440.551 3.932 20 0 IHADLO O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001164620781 719127938 /nfs/dbraw/zinc/12/79/38/719127938.db2.gz JZSXBSONMFPTCB-UHFFFAOYSA-N 1 2 440.551 3.932 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3[nH]ccc31)CC2 ZINC001164664492 719347475 /nfs/dbraw/zinc/34/74/75/719347475.db2.gz VWDXYCDSEPBNIZ-UHFFFAOYSA-N 1 2 427.556 3.961 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3[nH]ccc31)CC2 ZINC001164664492 719347476 /nfs/dbraw/zinc/34/74/76/719347476.db2.gz VWDXYCDSEPBNIZ-UHFFFAOYSA-N 1 2 427.556 3.961 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)OC)cc1C)CC2 ZINC001164662958 719348395 /nfs/dbraw/zinc/34/83/95/719348395.db2.gz BJIIRDKVBUEMTN-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)OC)cc1C)CC2 ZINC001164662958 719348397 /nfs/dbraw/zinc/34/83/97/719348397.db2.gz BJIIRDKVBUEMTN-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc3ccccc32)nn1 ZINC001164705736 719872818 /nfs/dbraw/zinc/87/28/18/719872818.db2.gz OIVIPKHOXRPZOU-RXFWQSSRSA-N 1 2 446.551 3.530 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164725024 720315433 /nfs/dbraw/zinc/31/54/33/720315433.db2.gz UXZCYZBJKRUWBE-HNNXBMFYSA-N 1 2 436.894 3.779 20 0 IHADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164801203 721561160 /nfs/dbraw/zinc/56/11/60/721561160.db2.gz GLGQVSIJYXUNCN-QZNHQXDQSA-N 1 2 442.007 3.594 20 0 IHADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164801203 721561163 /nfs/dbraw/zinc/56/11/63/721561163.db2.gz GLGQVSIJYXUNCN-QZNHQXDQSA-N 1 2 442.007 3.594 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001165011455 721704453 /nfs/dbraw/zinc/70/44/53/721704453.db2.gz SYEHHMGMLAOHES-UHFFFAOYSA-N 1 2 441.967 3.551 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001165011455 721704465 /nfs/dbraw/zinc/70/44/65/721704465.db2.gz SYEHHMGMLAOHES-UHFFFAOYSA-N 1 2 441.967 3.551 20 0 IHADLO COc1ccccc1-c1cc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)nn1 ZINC001165044747 721926201 /nfs/dbraw/zinc/92/62/01/721926201.db2.gz VYCLWNDQBJFYTJ-HNNXBMFYSA-N 1 2 438.906 3.652 20 0 IHADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c(C)cc2c1 ZINC001164947189 721968778 /nfs/dbraw/zinc/96/87/78/721968778.db2.gz QANZOSBXGCCIQI-UHFFFAOYSA-N 1 2 430.552 3.523 20 0 IHADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c(C)cc2c1 ZINC001164947189 721968779 /nfs/dbraw/zinc/96/87/79/721968779.db2.gz QANZOSBXGCCIQI-UHFFFAOYSA-N 1 2 430.552 3.523 20 0 IHADLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1-c1ccccc1F ZINC001164947280 721981605 /nfs/dbraw/zinc/98/16/05/721981605.db2.gz GLFOIEGKRJBSAW-UHFFFAOYSA-N 1 2 445.542 3.562 20 0 IHADLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1-c1ccccc1F ZINC001164947280 721981606 /nfs/dbraw/zinc/98/16/06/721981606.db2.gz GLFOIEGKRJBSAW-UHFFFAOYSA-N 1 2 445.542 3.562 20 0 IHADLO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C(F)(F)F ZINC000679931394 1126105599 /nfs/dbraw/zinc/10/55/99/1126105599.db2.gz XKALKTBYICMBOG-MSOLQXFVSA-N 1 2 428.817 3.684 20 0 IHADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)C1=O ZINC001164638165 719279488 /nfs/dbraw/zinc/27/94/88/719279488.db2.gz DIZXZCMVVGNIFC-UHFFFAOYSA-N 1 2 444.579 3.661 20 0 IHADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)C1=O ZINC001164638165 719279495 /nfs/dbraw/zinc/27/94/95/719279495.db2.gz DIZXZCMVVGNIFC-UHFFFAOYSA-N 1 2 444.579 3.661 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3cccnc3n1)CC2 ZINC001164663146 719349244 /nfs/dbraw/zinc/34/92/44/719349244.db2.gz FEABBLAWJVJHPE-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3cccnc3n1)CC2 ZINC001164663146 719349246 /nfs/dbraw/zinc/34/92/46/719349246.db2.gz FEABBLAWJVJHPE-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)c(C)cn1)CC2 ZINC001164658197 719351864 /nfs/dbraw/zinc/35/18/64/719351864.db2.gz FMANGKYWIPNJSH-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)c(C)cn1)CC2 ZINC001164658197 719351865 /nfs/dbraw/zinc/35/18/65/719351865.db2.gz FMANGKYWIPNJSH-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1Cl ZINC001164673882 719496947 /nfs/dbraw/zinc/49/69/47/719496947.db2.gz TWJNIFQZOMSCIT-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1Cl ZINC001164673882 719496951 /nfs/dbraw/zinc/49/69/51/719496951.db2.gz TWJNIFQZOMSCIT-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)cc1Cl ZINC001164722295 720312413 /nfs/dbraw/zinc/31/24/13/720312413.db2.gz JZDWSSDXQUMRHO-HNNXBMFYSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc2ccccc2nc1Cl ZINC001164721964 720314803 /nfs/dbraw/zinc/31/48/03/720314803.db2.gz JGXVQKXMYYLAMO-KRWDZBQOSA-N 1 2 448.905 3.845 20 0 IHADLO FC(F)(c1nc(Cl)ncc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767792 721273101 /nfs/dbraw/zinc/27/31/01/721273101.db2.gz SVTGBKACVGJKEV-LBPRGKRZSA-N 1 2 441.269 3.635 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780854 721424373 /nfs/dbraw/zinc/42/43/73/721424373.db2.gz APYQOPLOLRQJBK-GASCZTMLSA-N 1 2 448.930 3.762 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780854 721424375 /nfs/dbraw/zinc/42/43/75/721424375.db2.gz APYQOPLOLRQJBK-GASCZTMLSA-N 1 2 448.930 3.762 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001165010426 721702703 /nfs/dbraw/zinc/70/27/03/721702703.db2.gz IGTQGWRYONGXPW-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001165010426 721702706 /nfs/dbraw/zinc/70/27/06/721702706.db2.gz IGTQGWRYONGXPW-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001165009008 721710169 /nfs/dbraw/zinc/71/01/69/721710169.db2.gz MVKPLYLYOSKNCY-UHFFFAOYSA-N 1 2 425.968 3.563 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001165009008 721710171 /nfs/dbraw/zinc/71/01/71/721710171.db2.gz MVKPLYLYOSKNCY-UHFFFAOYSA-N 1 2 425.968 3.563 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001165009914 721715647 /nfs/dbraw/zinc/71/56/47/721715647.db2.gz XHBYYHFFJXDBOI-UHFFFAOYSA-N 1 2 429.931 3.778 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001165009914 721715657 /nfs/dbraw/zinc/71/56/57/721715657.db2.gz XHBYYHFFJXDBOI-UHFFFAOYSA-N 1 2 429.931 3.778 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc(Cl)nc1Cl)C2 ZINC001165012042 721719075 /nfs/dbraw/zinc/71/90/75/721719075.db2.gz ZOWRCEUPCZWCNO-UHFFFAOYSA-N 1 2 435.306 3.655 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc(Cl)nc1Cl)C2 ZINC001165012042 721719083 /nfs/dbraw/zinc/71/90/83/721719083.db2.gz ZOWRCEUPCZWCNO-UHFFFAOYSA-N 1 2 435.306 3.655 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3ncnc(Cl)c3c2)CC1 ZINC001164916157 721814450 /nfs/dbraw/zinc/81/44/50/721814450.db2.gz AUHKUYPOUPNGFH-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3ncnc(Cl)c3c2)CC1 ZINC001164916157 721814452 /nfs/dbraw/zinc/81/44/52/721814452.db2.gz AUHKUYPOUPNGFH-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Fc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)c(Cl)nn2)c1 ZINC001165043917 721926166 /nfs/dbraw/zinc/92/61/66/721926166.db2.gz QXGBTJHXKXKGHY-INIZCTEOSA-N 1 2 426.870 3.782 20 0 IHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164947668 721979117 /nfs/dbraw/zinc/97/91/17/721979117.db2.gz QDVLWPPWZCWBCW-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164947668 721979119 /nfs/dbraw/zinc/97/91/19/721979119.db2.gz QDVLWPPWZCWBCW-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426759781 1126088631 /nfs/dbraw/zinc/08/86/31/1126088631.db2.gz OOPMOJHDHOXMTB-IBGZPJMESA-N 1 2 439.313 3.902 20 0 IHADLO FC(F)(c1cc(Cl)ncn1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417285 718889513 /nfs/dbraw/zinc/88/95/13/718889513.db2.gz IYQDWJHMBJHYOP-NSHDSACASA-N 1 2 444.667 3.663 20 0 IHADLO FC(F)(c1cnc(Cl)cn1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417286 718889944 /nfs/dbraw/zinc/88/99/44/718889944.db2.gz IZDINOLDAZDGFH-LLVKDONJSA-N 1 2 444.667 3.663 20 0 IHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5[C@@H](OCC6CCCC6)CC[C@@H]54)c3C2)cc1 ZINC001164659239 719342313 /nfs/dbraw/zinc/34/23/13/719342313.db2.gz AQBMPNJTMRGSLF-GSDHBNRESA-N 1 2 448.611 3.978 20 0 IHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5[C@@H](OCC6CCCC6)CC[C@@H]54)c3C2)cc1 ZINC001164659239 719342315 /nfs/dbraw/zinc/34/23/15/719342315.db2.gz AQBMPNJTMRGSLF-GSDHBNRESA-N 1 2 448.611 3.978 20 0 IHADLO CCOC(=O)c1ccnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1 ZINC001164663468 719346070 /nfs/dbraw/zinc/34/60/70/719346070.db2.gz HTKAVGDJBLMFCV-UHFFFAOYSA-N 1 2 445.567 3.953 20 0 IHADLO CCOC(=O)c1ccnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1 ZINC001164663468 719346072 /nfs/dbraw/zinc/34/60/72/719346072.db2.gz HTKAVGDJBLMFCV-UHFFFAOYSA-N 1 2 445.567 3.953 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)cc(C(=O)OC)n1)CC2 ZINC001164658047 719351612 /nfs/dbraw/zinc/35/16/12/719351612.db2.gz CCVNESIQLDTJDI-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)cc(C(=O)OC)n1)CC2 ZINC001164658047 719351614 /nfs/dbraw/zinc/35/16/14/719351614.db2.gz CCVNESIQLDTJDI-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CCOC(=O)c1ccc(C)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164668864 719491861 /nfs/dbraw/zinc/49/18/61/719491861.db2.gz RNINVSFTJXMKKK-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CCOC(=O)c1ccc(C)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164668864 719491864 /nfs/dbraw/zinc/49/18/64/719491864.db2.gz RNINVSFTJXMKKK-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CC(C)OC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164679104 719530785 /nfs/dbraw/zinc/53/07/85/719530785.db2.gz SHECHCVAQQNKFJ-UHFFFAOYSA-N 1 2 427.520 3.657 20 0 IHADLO CC(C)OC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164679104 719530803 /nfs/dbraw/zinc/53/08/03/719530803.db2.gz SHECHCVAQQNKFJ-UHFFFAOYSA-N 1 2 427.520 3.657 20 0 IHADLO Fc1ccc2nc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)nc(Cl)c2c1 ZINC001164678549 719564867 /nfs/dbraw/zinc/56/48/67/719564867.db2.gz ZVBOMQJMACBBOU-UHFFFAOYSA-N 1 2 434.809 3.763 20 0 IHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)cc(Cl)n1 ZINC001164702424 719853658 /nfs/dbraw/zinc/85/36/58/719853658.db2.gz NBHPSIQHFGIAEX-WMZHIEFXSA-N 1 2 429.948 3.635 20 0 IHADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758954 720977659 /nfs/dbraw/zinc/97/76/59/720977659.db2.gz XOWYAAKVCDDNTC-OAHLLOKOSA-N 1 2 449.889 3.967 20 0 IHADLO FC(F)(c1cc(Cl)nc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164763685 721271840 /nfs/dbraw/zinc/27/18/40/721271840.db2.gz FDAYGCUTIIRRHH-GFCCVEGCSA-N 1 2 441.269 3.635 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001165008182 721707095 /nfs/dbraw/zinc/70/70/95/721707095.db2.gz CCZORKGVYXGHOD-UHFFFAOYSA-N 1 2 434.972 3.532 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001165008182 721707097 /nfs/dbraw/zinc/70/70/97/721707097.db2.gz CCZORKGVYXGHOD-UHFFFAOYSA-N 1 2 434.972 3.532 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3ncc(Cl)nc3c2)CC1 ZINC001164918385 721813726 /nfs/dbraw/zinc/81/37/26/721813726.db2.gz VLTOVDMLDYLVQY-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3ncc(Cl)nc3c2)CC1 ZINC001164918385 721813729 /nfs/dbraw/zinc/81/37/29/721813729.db2.gz VLTOVDMLDYLVQY-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3c(-c4ccccc4)nsc32)CC1 ZINC001164917212 721819209 /nfs/dbraw/zinc/81/92/09/721819209.db2.gz DPIBRKVWJDDWOC-UHFFFAOYSA-N 1 2 431.569 3.699 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccncc3)nc3sccc32)CC1 ZINC001164919747 721820607 /nfs/dbraw/zinc/82/06/07/721820607.db2.gz VTCZGECFUMDWHC-UHFFFAOYSA-N 1 2 431.569 3.699 20 0 IHADLO CC(C)c1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cc(C(C)(C)C)n1 ZINC001164949868 721979815 /nfs/dbraw/zinc/97/98/15/721979815.db2.gz QVMPVDNUWCUBAO-UHFFFAOYSA-N 1 2 435.616 3.869 20 0 IHADLO CC(C)c1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cc(C(C)(C)C)n1 ZINC001164949868 721979817 /nfs/dbraw/zinc/97/98/17/721979817.db2.gz QVMPVDNUWCUBAO-UHFFFAOYSA-N 1 2 435.616 3.869 20 0 IHADLO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949813 721980736 /nfs/dbraw/zinc/98/07/36/721980736.db2.gz QJLYHXQOFVGKAK-UHFFFAOYSA-N 1 2 427.980 3.533 20 0 IHADLO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949813 721980738 /nfs/dbraw/zinc/98/07/38/721980738.db2.gz QJLYHXQOFVGKAK-UHFFFAOYSA-N 1 2 427.980 3.533 20 0 IHADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164950511 721980966 /nfs/dbraw/zinc/98/09/66/721980966.db2.gz VKAXGQDACAJLNR-UHFFFAOYSA-N 1 2 445.542 3.562 20 0 IHADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164950511 721980968 /nfs/dbraw/zinc/98/09/68/721980968.db2.gz VKAXGQDACAJLNR-UHFFFAOYSA-N 1 2 445.542 3.562 20 0 IHADLO COc1cc(I)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000013579605 562994430 /nfs/dbraw/zinc/99/44/30/562994430.db2.gz ZUEUSOPEOZVFIR-KRWDZBQOSA-N 1 2 439.293 3.580 20 0 IHADLO COc1cc(I)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000013579605 562994432 /nfs/dbraw/zinc/99/44/32/562994432.db2.gz ZUEUSOPEOZVFIR-KRWDZBQOSA-N 1 2 439.293 3.580 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)cc(OC)n1)CC2 ZINC001164663922 719349640 /nfs/dbraw/zinc/34/96/40/719349640.db2.gz PEKFKNFWLPOJTC-UHFFFAOYSA-N 1 2 433.556 3.794 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)cc(OC)n1)CC2 ZINC001164663922 719349643 /nfs/dbraw/zinc/34/96/43/719349643.db2.gz PEKFKNFWLPOJTC-UHFFFAOYSA-N 1 2 433.556 3.794 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3c1CCC3)CC2 ZINC001164658120 719352499 /nfs/dbraw/zinc/35/24/99/719352499.db2.gz DPUZEOHWXJDZNS-UHFFFAOYSA-N 1 2 428.584 3.968 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3c1CCC3)CC2 ZINC001164658120 719352500 /nfs/dbraw/zinc/35/25/00/719352500.db2.gz DPUZEOHWXJDZNS-UHFFFAOYSA-N 1 2 428.584 3.968 20 0 IHADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164667973 719492598 /nfs/dbraw/zinc/49/25/98/719492598.db2.gz NIBCHUFTLMQOJK-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164667973 719492605 /nfs/dbraw/zinc/49/26/05/719492605.db2.gz NIBCHUFTLMQOJK-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1c(Cl)ccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672145 719496038 /nfs/dbraw/zinc/49/60/38/719496038.db2.gz FSRZNJYAPIRJFP-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1c(Cl)ccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672145 719496047 /nfs/dbraw/zinc/49/60/47/719496047.db2.gz FSRZNJYAPIRJFP-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4cnccc42)CC3)cc1 ZINC001164674382 719501963 /nfs/dbraw/zinc/50/19/63/719501963.db2.gz VUENNTJHKZJREH-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4cnccc42)CC3)cc1 ZINC001164674382 719501970 /nfs/dbraw/zinc/50/19/70/719501970.db2.gz VUENNTJHKZJREH-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Cc1nc(-c2ccncc2)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164677598 719526512 /nfs/dbraw/zinc/52/65/12/719526512.db2.gz GJSUMHPNULQIKN-UHFFFAOYSA-N 1 2 433.531 3.858 20 0 IHADLO Cc1nc(-c2ccncc2)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164677598 719526520 /nfs/dbraw/zinc/52/65/20/719526520.db2.gz GJSUMHPNULQIKN-UHFFFAOYSA-N 1 2 433.531 3.858 20 0 IHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc3ccccc32)nn1 ZINC001164705733 719872924 /nfs/dbraw/zinc/87/29/24/719872924.db2.gz OIVIPKHOXRPZOU-FNZWTVRRSA-N 1 2 446.551 3.530 20 0 IHADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164876011 721218037 /nfs/dbraw/zinc/21/80/37/721218037.db2.gz ZHYKQRJCJPHIGO-UHFFFAOYSA-N 1 2 430.286 3.599 20 0 IHADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767497 721272491 /nfs/dbraw/zinc/27/24/91/721272491.db2.gz RJVYTTFBNLOWQO-LBPRGKRZSA-N 1 2 441.269 3.635 20 0 IHADLO COc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c(Cl)n1 ZINC001164766335 721273210 /nfs/dbraw/zinc/27/32/10/721273210.db2.gz DNXQQDKSDAWXMK-AWEZNQCLSA-N 1 2 435.862 3.595 20 0 IHADLO FC(F)(COc1ccnc(Cl)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769007 721273400 /nfs/dbraw/zinc/27/34/00/721273400.db2.gz NBWHCXWCAHSZKP-OAHLLOKOSA-N 1 2 435.862 3.509 20 0 IHADLO Cc1nc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc(Cl)c1C ZINC001164770051 721274248 /nfs/dbraw/zinc/27/42/48/721274248.db2.gz SWSTYRAXBVRQOP-OAHLLOKOSA-N 1 2 434.878 3.599 20 0 IHADLO Cc1nc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc(Cl)c1C ZINC001164770048 721274316 /nfs/dbraw/zinc/27/43/16/721274316.db2.gz SWSTYRAXBVRQOP-HNNXBMFYSA-N 1 2 434.878 3.599 20 0 IHADLO FC(F)(c1nc2ccsc2c(Cl)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790702 721399546 /nfs/dbraw/zinc/39/95/46/721399546.db2.gz XBCNPEDROZWNOS-PHIMTYICSA-N 1 2 427.933 3.914 20 0 IHADLO FC(F)(c1nc2ccsc2c(Cl)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790702 721399553 /nfs/dbraw/zinc/39/95/53/721399553.db2.gz XBCNPEDROZWNOS-PHIMTYICSA-N 1 2 427.933 3.914 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164780855 721424192 /nfs/dbraw/zinc/42/41/92/721424192.db2.gz APYQOPLOLRQJBK-GJZGRUSLSA-N 1 2 448.930 3.762 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001165009246 721697596 /nfs/dbraw/zinc/69/75/96/721697596.db2.gz OGTRVPSMLKCFJR-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001165009246 721697599 /nfs/dbraw/zinc/69/75/99/721697599.db2.gz OGTRVPSMLKCFJR-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO Cc1c(Cl)ccc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164917773 721790978 /nfs/dbraw/zinc/79/09/78/721790978.db2.gz ZCMDJDDDQFRXRK-DEOSSOPVSA-N 1 2 438.959 3.699 20 0 IHADLO Cc1c(Cl)ccc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164917773 721790983 /nfs/dbraw/zinc/79/09/83/721790983.db2.gz ZCMDJDDDQFRXRK-DEOSSOPVSA-N 1 2 438.959 3.699 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3nc(Cl)cnc3c2)CC1 ZINC001164918365 721815017 /nfs/dbraw/zinc/81/50/17/721815017.db2.gz UNCZJRSUEJPGSE-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3nc(Cl)cnc3c2)CC1 ZINC001164918365 721815019 /nfs/dbraw/zinc/81/50/19/721815019.db2.gz UNCZJRSUEJPGSE-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)ncc2OCc2ccccc2)CC1 ZINC001164916439 721816313 /nfs/dbraw/zinc/81/63/13/721816313.db2.gz DNCMMZJFHVVITO-UHFFFAOYSA-N 1 2 438.963 3.655 20 0 IHADLO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045029 721961366 /nfs/dbraw/zinc/96/13/66/721961366.db2.gz SBXXMZANRVBGFK-UHFFFAOYSA-N 1 2 435.862 3.531 20 0 IHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164945003 721971473 /nfs/dbraw/zinc/97/14/73/721971473.db2.gz MNEFVQDBLYFPCP-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164945003 721971476 /nfs/dbraw/zinc/97/14/76/721971476.db2.gz MNEFVQDBLYFPCP-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO Cc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c(Cl)nc2c1 ZINC001164946756 721973151 /nfs/dbraw/zinc/97/31/51/721973151.db2.gz VSUKCQUDEFCVGS-UHFFFAOYSA-N 1 2 435.959 3.563 20 0 IHADLO Cc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c(Cl)nc2c1 ZINC001164946756 721973154 /nfs/dbraw/zinc/97/31/54/721973154.db2.gz VSUKCQUDEFCVGS-UHFFFAOYSA-N 1 2 435.959 3.563 20 0 IHADLO CCCn1c2nnc(SCc3[nH+]ccn3Cc3ccccc3)n2c2ccccc2c1=O ZINC000040067259 521642331 /nfs/dbraw/zinc/64/23/31/521642331.db2.gz WCJOLTKTUCNQDS-UHFFFAOYSA-N 1 2 430.537 3.991 20 0 IHADLO FC(F)(c1cnc(Cl)cn1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417287 718890071 /nfs/dbraw/zinc/89/00/71/718890071.db2.gz IZDINOLDAZDGFH-NSHDSACASA-N 1 2 444.667 3.663 20 0 IHADLO F[C@@H](Oc1cccc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420330 718890485 /nfs/dbraw/zinc/89/04/85/718890485.db2.gz UHYMQLQQFNNZRY-SJKOYZFVSA-N 1 2 441.688 3.851 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ncccc31)CC2 ZINC001164664203 719346694 /nfs/dbraw/zinc/34/66/94/719346694.db2.gz UGYDLOSNZPEDSG-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ncccc31)CC2 ZINC001164664203 719346695 /nfs/dbraw/zinc/34/66/95/719346695.db2.gz UGYDLOSNZPEDSG-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nnc(Cl)c4ccncc42)CC3)cc1 ZINC001164674529 719495695 /nfs/dbraw/zinc/49/56/95/719495695.db2.gz ZAJYCCJQNCBDFH-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nnc(Cl)c4ccncc42)CC3)cc1 ZINC001164674529 719495702 /nfs/dbraw/zinc/49/57/02/719495702.db2.gz ZAJYCCJQNCBDFH-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673950 719517519 /nfs/dbraw/zinc/51/75/19/719517519.db2.gz VAAJZUVNMCPCON-YVMONPNESA-N 1 2 439.531 3.587 20 0 IHADLO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673950 719517528 /nfs/dbraw/zinc/51/75/28/719517528.db2.gz VAAJZUVNMCPCON-YVMONPNESA-N 1 2 439.531 3.587 20 0 IHADLO Cc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(-c2ccncc2)n1 ZINC001164674011 719521471 /nfs/dbraw/zinc/52/14/71/719521471.db2.gz YSVCTHHTKBMPPW-UHFFFAOYSA-N 1 2 433.531 3.858 20 0 IHADLO Cc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(-c2ccncc2)n1 ZINC001164674011 719521475 /nfs/dbraw/zinc/52/14/75/719521475.db2.gz YSVCTHHTKBMPPW-UHFFFAOYSA-N 1 2 433.531 3.858 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)ncc1Cl ZINC001164720816 720311216 /nfs/dbraw/zinc/31/12/16/720311216.db2.gz AGEMMHCHNQHPKY-HNNXBMFYSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)cnc1Cl ZINC001164721387 720313153 /nfs/dbraw/zinc/31/31/53/720313153.db2.gz GSZOIQOSQSANSJ-OAHLLOKOSA-N 1 2 432.302 3.951 20 0 IHADLO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871273 721219721 /nfs/dbraw/zinc/21/97/21/721219721.db2.gz JJXIYJJHEUIRMN-UHFFFAOYSA-N 1 2 435.906 3.823 20 0 IHADLO COc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cc(Cl)n1 ZINC001164769435 721272013 /nfs/dbraw/zinc/27/20/13/721272013.db2.gz YNLSAOUZLPGNAV-CQSZACIVSA-N 1 2 435.862 3.595 20 0 IHADLO FC(F)(c1nc(Cl)ncc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767788 721273255 /nfs/dbraw/zinc/27/32/55/721273255.db2.gz SVTGBKACVGJKEV-GFCCVEGCSA-N 1 2 441.269 3.635 20 0 IHADLO Fc1cccc2c(Cl)nc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc12 ZINC001164791608 721399400 /nfs/dbraw/zinc/39/94/00/721399400.db2.gz ZVLNWFLCXQIXCF-VXGBXAGGSA-N 1 2 439.894 3.992 20 0 IHADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785464 721420340 /nfs/dbraw/zinc/42/03/40/721420340.db2.gz MOIMUVWQXJSQNX-BETUJISGSA-N 1 2 437.903 3.733 20 0 IHADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785464 721420342 /nfs/dbraw/zinc/42/03/42/721420342.db2.gz MOIMUVWQXJSQNX-BETUJISGSA-N 1 2 437.903 3.733 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)C2 ZINC001165009924 721714073 /nfs/dbraw/zinc/71/40/73/721714073.db2.gz XLMVBZSTFOHILM-IBGZPJMESA-N 1 2 448.619 3.851 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)C2 ZINC001165009924 721714078 /nfs/dbraw/zinc/71/40/78/721714078.db2.gz XLMVBZSTFOHILM-IBGZPJMESA-N 1 2 448.619 3.851 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccn3)nc3sccc32)CC1 ZINC001164918498 721820586 /nfs/dbraw/zinc/82/05/86/721820586.db2.gz FCTNQJXHVQPGIP-UHFFFAOYSA-N 1 2 431.569 3.699 20 0 IHADLO Fc1ccccc1-c1cc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)nn1 ZINC001165043608 721926221 /nfs/dbraw/zinc/92/62/21/721926221.db2.gz MXWJCPHRJZVJCR-CQSZACIVSA-N 1 2 426.870 3.782 20 0 IHADLO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946364 721981632 /nfs/dbraw/zinc/98/16/32/721981632.db2.gz DBBBYLXLHVEZOV-UHFFFAOYSA-N 1 2 439.991 3.677 20 0 IHADLO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946364 721981633 /nfs/dbraw/zinc/98/16/33/721981633.db2.gz DBBBYLXLHVEZOV-UHFFFAOYSA-N 1 2 439.991 3.677 20 0 IHADLO CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc[nH+]1 ZINC001164990694 722184158 /nfs/dbraw/zinc/18/41/58/722184158.db2.gz OFINTWHXDQAFFE-RTWAWAEBSA-N 1 2 444.649 3.738 20 0 IHADLO CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)[nH+]cn1 ZINC001164990694 722184159 /nfs/dbraw/zinc/18/41/59/722184159.db2.gz OFINTWHXDQAFFE-RTWAWAEBSA-N 1 2 444.649 3.738 20 0 IHADLO O=C(Cc1nc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1)Nc1ccccc1 ZINC001560100994 1126207906 /nfs/dbraw/zinc/20/79/06/1126207906.db2.gz ZJTXMGKDQVTDLU-NQIIRXRSSA-N 1 2 449.498 3.948 20 0 IHADLO O=C(Cc1nc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1)Nc1ccccc1 ZINC001560100995 1126208145 /nfs/dbraw/zinc/20/81/45/1126208145.db2.gz ZJTXMGKDQVTDLU-RXVVDRJESA-N 1 2 449.498 3.948 20 0 IHADLO O=C(NCc1nc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1)c1ccccc1 ZINC001620534888 1126240784 /nfs/dbraw/zinc/24/07/84/1126240784.db2.gz XUHXAOANPYOOEN-ICSRJNTNSA-N 1 2 449.498 3.697 20 0 IHADLO CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022056043 525591860 /nfs/dbraw/zinc/59/18/60/525591860.db2.gz IVAWCVDHOTUAQF-NRFANRHFSA-N 1 2 446.016 3.536 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164658873 719354504 /nfs/dbraw/zinc/35/45/04/719354504.db2.gz KSMGDNCFCBQNKS-UHFFFAOYSA-N 1 2 441.539 3.826 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164658873 719354507 /nfs/dbraw/zinc/35/45/07/719354507.db2.gz KSMGDNCFCBQNKS-UHFFFAOYSA-N 1 2 441.539 3.826 20 0 IHADLO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164668328 719493344 /nfs/dbraw/zinc/49/33/44/719493344.db2.gz OVLXYEFCGJRJDL-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164668328 719493353 /nfs/dbraw/zinc/49/33/53/719493353.db2.gz OVLXYEFCGJRJDL-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164665565 719494620 /nfs/dbraw/zinc/49/46/20/719494620.db2.gz ABKDZDWFFUCBCG-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164665565 719494629 /nfs/dbraw/zinc/49/46/29/719494629.db2.gz ABKDZDWFFUCBCG-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4nc(Cl)ccc42)CC3)cc1 ZINC001164673187 719498769 /nfs/dbraw/zinc/49/87/69/719498769.db2.gz PKCQBWWIUTXRPG-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4nc(Cl)ccc42)CC3)cc1 ZINC001164673187 719498775 /nfs/dbraw/zinc/49/87/75/719498775.db2.gz PKCQBWWIUTXRPG-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO COC(=O)c1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164674360 719506948 /nfs/dbraw/zinc/50/69/48/719506948.db2.gz VHLXIPHBKKFIHD-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164674360 719506951 /nfs/dbraw/zinc/50/69/51/719506951.db2.gz VHLXIPHBKKFIHD-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COc1ccc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc(C)c2c1 ZINC001164673408 719512900 /nfs/dbraw/zinc/51/29/00/719512900.db2.gz SJIVFXGCPIPDDE-UHFFFAOYSA-N 1 2 436.531 3.957 20 0 IHADLO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc(C)c2c1 ZINC001164673408 719512908 /nfs/dbraw/zinc/51/29/08/719512908.db2.gz SJIVFXGCPIPDDE-UHFFFAOYSA-N 1 2 436.531 3.957 20 0 IHADLO COc1ccc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c(C)nc2c1 ZINC001164678968 719526550 /nfs/dbraw/zinc/52/65/50/719526550.db2.gz POOVSNUFWHAMKJ-UHFFFAOYSA-N 1 2 436.531 3.957 20 0 IHADLO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c(C)nc2c1 ZINC001164678968 719526555 /nfs/dbraw/zinc/52/65/55/719526555.db2.gz POOVSNUFWHAMKJ-UHFFFAOYSA-N 1 2 436.531 3.957 20 0 IHADLO CSc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(SC)n1 ZINC001164677049 719532197 /nfs/dbraw/zinc/53/21/97/719532197.db2.gz AZTICPSPXULJJD-UHFFFAOYSA-N 1 2 434.606 3.931 20 0 IHADLO CSc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(SC)n1 ZINC001164677049 719532209 /nfs/dbraw/zinc/53/22/09/719532209.db2.gz AZTICPSPXULJJD-UHFFFAOYSA-N 1 2 434.606 3.931 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(Cl)nc1Cl ZINC001164725506 720311726 /nfs/dbraw/zinc/31/17/26/720311726.db2.gz WIZIHUPIJVAIMD-AWEZNQCLSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164721070 720313955 /nfs/dbraw/zinc/31/39/55/720313955.db2.gz DJUWPJAEPGROJW-SFHVURJKSA-N 1 2 448.905 3.845 20 0 IHADLO FC(F)(c1cc(Cl)nc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164763687 721272611 /nfs/dbraw/zinc/27/26/11/721272611.db2.gz FDAYGCUTIIRRHH-LBPRGKRZSA-N 1 2 441.269 3.635 20 0 IHADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164801207 721561017 /nfs/dbraw/zinc/56/10/17/721561017.db2.gz GLGQVSIJYXUNCN-XPNTWCBSSA-N 1 2 442.007 3.594 20 0 IHADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164801207 721561022 /nfs/dbraw/zinc/56/10/22/721561022.db2.gz GLGQVSIJYXUNCN-XPNTWCBSSA-N 1 2 442.007 3.594 20 0 IHADLO Fc1ccc(Cl)c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164913725 721800091 /nfs/dbraw/zinc/80/00/91/721800091.db2.gz GKYVQWXYCYFRND-HSZRJFAPSA-N 1 2 442.922 3.530 20 0 IHADLO Fc1ccc(Cl)c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164913725 721800093 /nfs/dbraw/zinc/80/00/93/721800093.db2.gz GKYVQWXYCYFRND-HSZRJFAPSA-N 1 2 442.922 3.530 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3ccccc3nc2N2CCCC[C@@H]2C)CC1 ZINC001164918859 721819012 /nfs/dbraw/zinc/81/90/12/721819012.db2.gz VZSUFOGGDNSAAB-IBGZPJMESA-N 1 2 445.615 3.955 20 0 IHADLO Fc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)c(Cl)nn2)c1 ZINC001165043918 721926372 /nfs/dbraw/zinc/92/63/72/721926372.db2.gz QXGBTJHXKXKGHY-MRXNPFEDSA-N 1 2 426.870 3.782 20 0 IHADLO FC(F)(c1ccc(Cl)nn1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164422148 718889996 /nfs/dbraw/zinc/88/99/96/718889996.db2.gz ZYIYCPUDLFRASA-NSHDSACASA-N 1 2 444.667 3.663 20 0 IHADLO F[C@H](Oc1ccnc(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418464 718890065 /nfs/dbraw/zinc/89/00/65/718890065.db2.gz NZKBLGAYPUVMBV-GUYCJALGSA-N 1 2 441.688 3.851 20 0 IHADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001164654496 719322850 /nfs/dbraw/zinc/32/28/50/719322850.db2.gz QINPAHANBGHRNX-QFIPXVFZSA-N 1 2 430.911 3.646 20 0 IHADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001164654496 719322853 /nfs/dbraw/zinc/32/28/53/719322853.db2.gz QINPAHANBGHRNX-QFIPXVFZSA-N 1 2 430.911 3.646 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ncsc3n1)CC2 ZINC001164658161 719351623 /nfs/dbraw/zinc/35/16/23/719351623.db2.gz DWPMGDJDZIDVAH-UHFFFAOYSA-N 1 2 431.569 3.781 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ncsc3n1)CC2 ZINC001164658161 719351626 /nfs/dbraw/zinc/35/16/26/719351626.db2.gz DWPMGDJDZIDVAH-UHFFFAOYSA-N 1 2 431.569 3.781 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OCC3CC3)ncn1)CC2 ZINC001164658872 719351802 /nfs/dbraw/zinc/35/18/02/719351802.db2.gz KSCFHQAHDGJLGX-UHFFFAOYSA-N 1 2 444.583 3.960 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OCC3CC3)ncn1)CC2 ZINC001164658872 719351807 /nfs/dbraw/zinc/35/18/07/719351807.db2.gz KSCFHQAHDGJLGX-UHFFFAOYSA-N 1 2 444.583 3.960 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c2SCC4)CC3)cc1 ZINC001164673711 719502961 /nfs/dbraw/zinc/50/29/61/719502961.db2.gz QXFJRWXHMZNODI-UHFFFAOYSA-N 1 2 434.968 3.789 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c2SCC4)CC3)cc1 ZINC001164673711 719502964 /nfs/dbraw/zinc/50/29/64/719502964.db2.gz QXFJRWXHMZNODI-UHFFFAOYSA-N 1 2 434.968 3.789 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4ncccc4nc2Cl)CC3)cc1 ZINC001164670967 719506616 /nfs/dbraw/zinc/50/66/16/719506616.db2.gz AKFUEFLVMBSQJT-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4ncccc4nc2Cl)CC3)cc1 ZINC001164670967 719506624 /nfs/dbraw/zinc/50/66/24/719506624.db2.gz AKFUEFLVMBSQJT-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671712 719515629 /nfs/dbraw/zinc/51/56/29/719515629.db2.gz IOWMXQCLRLAASC-UXBLZVDNSA-N 1 2 439.531 3.668 20 0 IHADLO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671712 719515633 /nfs/dbraw/zinc/51/56/33/719515633.db2.gz IOWMXQCLRLAASC-UXBLZVDNSA-N 1 2 439.531 3.668 20 0 IHADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1OC ZINC001164670043 719521357 /nfs/dbraw/zinc/52/13/57/719521357.db2.gz ATEHEFRWVUOYLQ-UHFFFAOYSA-N 1 2 432.927 3.792 20 0 IHADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1OC ZINC001164670043 719521364 /nfs/dbraw/zinc/52/13/64/719521364.db2.gz ATEHEFRWVUOYLQ-UHFFFAOYSA-N 1 2 432.927 3.792 20 0 IHADLO Fc1cccc2c(Cl)nc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)nc12 ZINC001164677456 719562411 /nfs/dbraw/zinc/56/24/11/719562411.db2.gz NNLMYVWLVBCROT-UHFFFAOYSA-N 1 2 434.809 3.763 20 0 IHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(SCc2ccccc2)ccn1 ZINC001164701683 719871759 /nfs/dbraw/zinc/87/17/59/719871759.db2.gz GQQPTRBPLSIHDC-GBXCKJPGSA-N 1 2 441.597 3.607 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1cc(Cl)nc(Cl)c1 ZINC001164722868 720317775 /nfs/dbraw/zinc/31/77/75/720317775.db2.gz MMKDHHAPMVBMND-CQSZACIVSA-N 1 2 448.301 3.830 20 0 IHADLO FC(F)(c1cc2ccccc2nc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831543 720398413 /nfs/dbraw/zinc/39/84/13/720398413.db2.gz WDJYJENDWPKVNJ-UHFFFAOYSA-N 1 2 429.862 3.680 20 0 IHADLO Clc1ccc(OC(Cl)(Cl)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cn1 ZINC001164873097 721222755 /nfs/dbraw/zinc/22/27/55/721222755.db2.gz PZYPSGXIMBDCEX-UHFFFAOYSA-N 1 2 443.762 3.969 20 0 IHADLO FC(F)(c1cnc(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767486 721272023 /nfs/dbraw/zinc/27/20/23/721272023.db2.gz RJLOZKZZBNPBCN-GFCCVEGCSA-N 1 2 441.269 3.635 20 0 IHADLO CSc1cnc(Cl)c(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165009292 721710930 /nfs/dbraw/zinc/71/09/30/721710930.db2.gz SMDNZCHZLCMIMV-UHFFFAOYSA-N 1 2 430.956 3.844 20 0 IHADLO CSc1cnc(Cl)c(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165009292 721710940 /nfs/dbraw/zinc/71/09/40/721710940.db2.gz SMDNZCHZLCMIMV-UHFFFAOYSA-N 1 2 430.956 3.844 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001165009377 721715829 /nfs/dbraw/zinc/71/58/29/721715829.db2.gz SYJKCCBQMWKOCX-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001165009377 721715833 /nfs/dbraw/zinc/71/58/33/721715833.db2.gz SYJKCCBQMWKOCX-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2cc(Cl)ccc12 ZINC001164916693 721788512 /nfs/dbraw/zinc/78/85/12/721788512.db2.gz SLWKYKMUSMJKOJ-DEOSSOPVSA-N 1 2 438.959 3.699 20 0 IHADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2cc(Cl)ccc12 ZINC001164916693 721788516 /nfs/dbraw/zinc/78/85/16/721788516.db2.gz SLWKYKMUSMJKOJ-DEOSSOPVSA-N 1 2 438.959 3.699 20 0 IHADLO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1Cl ZINC001164917360 721813714 /nfs/dbraw/zinc/81/37/14/721813714.db2.gz LPAYQRISZZDSEX-UHFFFAOYSA-N 1 2 438.359 3.511 20 0 IHADLO Fc1ccc(-c2cc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)c(Cl)nn2)cc1 ZINC001165045165 721926440 /nfs/dbraw/zinc/92/64/40/721926440.db2.gz YZCFKRDQPUJMRR-INIZCTEOSA-N 1 2 426.870 3.782 20 0 IHADLO Cc1cc2nc(Cl)c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2cc1C ZINC001164948170 721976218 /nfs/dbraw/zinc/97/62/18/721976218.db2.gz UUZSXORUBYIYPA-UHFFFAOYSA-N 1 2 449.986 3.871 20 0 IHADLO Cc1cc2nc(Cl)c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2cc1C ZINC001164948170 721976220 /nfs/dbraw/zinc/97/62/20/721976220.db2.gz UUZSXORUBYIYPA-UHFFFAOYSA-N 1 2 449.986 3.871 20 0 IHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164946434 721981611 /nfs/dbraw/zinc/98/16/11/721981611.db2.gz FPEYTFNDMCXJGJ-UHFFFAOYSA-N 1 2 446.382 3.632 20 0 IHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164946434 721981612 /nfs/dbraw/zinc/98/16/12/721981612.db2.gz FPEYTFNDMCXJGJ-UHFFFAOYSA-N 1 2 446.382 3.632 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1F)CC2 ZINC001164663460 719345451 /nfs/dbraw/zinc/34/54/51/719345451.db2.gz HJUGGPQIELMYPR-UHFFFAOYSA-N 1 2 426.927 3.964 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1F)CC2 ZINC001164663460 719345454 /nfs/dbraw/zinc/34/54/54/719345454.db2.gz HJUGGPQIELMYPR-UHFFFAOYSA-N 1 2 426.927 3.964 20 0 IHADLO CCOC(=O)c1cccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164663812 719349001 /nfs/dbraw/zinc/34/90/01/719349001.db2.gz MPAIWTDEQOPSMR-UHFFFAOYSA-N 1 2 445.567 3.953 20 0 IHADLO CCOC(=O)c1cccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164663812 719349006 /nfs/dbraw/zinc/34/90/06/719349006.db2.gz MPAIWTDEQOPSMR-UHFFFAOYSA-N 1 2 445.567 3.953 20 0 IHADLO COC(=O)c1cc(Cl)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C ZINC001164678758 719529772 /nfs/dbraw/zinc/52/97/72/719529772.db2.gz NJVOYZAAIYLLSS-UHFFFAOYSA-N 1 2 447.938 3.841 20 0 IHADLO COC(=O)c1cc(Cl)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C ZINC001164678758 719529775 /nfs/dbraw/zinc/52/97/75/719529775.db2.gz NJVOYZAAIYLLSS-UHFFFAOYSA-N 1 2 447.938 3.841 20 0 IHADLO FC(F)(c1cccc2c(Cl)nccc21)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830956 720398464 /nfs/dbraw/zinc/39/84/64/720398464.db2.gz STPSRLFGCPJHNC-UHFFFAOYSA-N 1 2 429.862 3.680 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccccc1)C2 ZINC001165010489 721721561 /nfs/dbraw/zinc/72/15/61/721721561.db2.gz HXOQPAUWJDYKCM-UHFFFAOYSA-N 1 2 427.940 3.764 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccccc1)C2 ZINC001165010489 721721570 /nfs/dbraw/zinc/72/15/70/721721570.db2.gz HXOQPAUWJDYKCM-UHFFFAOYSA-N 1 2 427.940 3.764 20 0 IHADLO Clc1cnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1Cl ZINC001164916014 721783790 /nfs/dbraw/zinc/78/37/90/721783790.db2.gz NNAYDXYLKOVSHI-IBGZPJMESA-N 1 2 443.762 3.545 20 0 IHADLO Clc1cnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1Cl ZINC001164916014 721783794 /nfs/dbraw/zinc/78/37/94/721783794.db2.gz NNAYDXYLKOVSHI-IBGZPJMESA-N 1 2 443.762 3.545 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(-c3ccc(Cl)nn3)ccc2F)CC1 ZINC001164919476 721820163 /nfs/dbraw/zinc/82/01/63/721820163.db2.gz RPBXCSNTLQYULD-UHFFFAOYSA-N 1 2 426.927 3.882 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC001164919188 721821018 /nfs/dbraw/zinc/82/10/18/721821018.db2.gz NZQQWNDNLKSHNZ-UHFFFAOYSA-N 1 2 438.963 3.655 20 0 IHADLO COc1cc2c(cc(Cl)nc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)cc1F ZINC001164918101 721822063 /nfs/dbraw/zinc/82/20/63/721822063.db2.gz BKUQXQKDUNBXJI-UHFFFAOYSA-N 1 2 429.927 3.982 20 0 IHADLO F[C@@H](Oc1ccnc(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418462 718889861 /nfs/dbraw/zinc/88/98/61/718889861.db2.gz NZKBLGAYPUVMBV-CXAGYDPISA-N 1 2 441.688 3.851 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cccnc3n1)CC2 ZINC001164658184 719351305 /nfs/dbraw/zinc/35/13/05/719351305.db2.gz FFLTVAKITUFWTE-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cccnc3n1)CC2 ZINC001164658184 719351307 /nfs/dbraw/zinc/35/13/07/719351307.db2.gz FFLTVAKITUFWTE-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO CCNC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1 ZINC001164658053 719353661 /nfs/dbraw/zinc/35/36/61/719353661.db2.gz CJXGMUYBUNJYOO-UHFFFAOYSA-N 1 2 444.583 3.526 20 0 IHADLO CCNC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1 ZINC001164658053 719353665 /nfs/dbraw/zinc/35/36/65/719353665.db2.gz CJXGMUYBUNJYOO-UHFFFAOYSA-N 1 2 444.583 3.526 20 0 IHADLO CCn1cnc2c1ncnc2N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164658899 719354171 /nfs/dbraw/zinc/35/41/71/719354171.db2.gz LLLBZEQWBUORIX-UHFFFAOYSA-N 1 2 442.571 3.541 20 0 IHADLO CCn1cnc2c1ncnc2N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164658899 719354175 /nfs/dbraw/zinc/35/41/75/719354175.db2.gz LLLBZEQWBUORIX-UHFFFAOYSA-N 1 2 442.571 3.541 20 0 IHADLO Cc1c[nH+]c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1NCC1CC1 ZINC001164669467 719490911 /nfs/dbraw/zinc/49/09/11/719490911.db2.gz VAUGJJMCCVUZHL-UHFFFAOYSA-N 1 2 425.552 3.617 20 0 IHADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164671305 719496809 /nfs/dbraw/zinc/49/68/09/719496809.db2.gz DQKRUGJUGOCAOY-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164671305 719496819 /nfs/dbraw/zinc/49/68/19/719496819.db2.gz DQKRUGJUGOCAOY-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(-c2ccccc2)n1 ZINC001164706008 719852819 /nfs/dbraw/zinc/85/28/19/719852819.db2.gz VYZVJMKRVXWETG-RXFWQSSRSA-N 1 2 446.551 3.530 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(Cl)nc1Cl ZINC001164725507 720311109 /nfs/dbraw/zinc/31/11/09/720311109.db2.gz WIZIHUPIJVAIMD-CQSZACIVSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164722770 720313619 /nfs/dbraw/zinc/31/36/19/720313619.db2.gz LHTATKOHPGQVKI-AWEZNQCLSA-N 1 2 432.302 3.951 20 0 IHADLO FC(F)(c1cnc(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767490 721272347 /nfs/dbraw/zinc/27/23/47/721272347.db2.gz RJLOZKZZBNPBCN-LBPRGKRZSA-N 1 2 441.269 3.635 20 0 IHADLO FC(F)(COc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770718 721274231 /nfs/dbraw/zinc/27/42/31/721274231.db2.gz XSTRZKZJFOXABL-HNNXBMFYSA-N 1 2 435.862 3.509 20 0 IHADLO Fc1ccc(-c2cc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)c(Cl)nn2)cc1 ZINC001165045166 721926331 /nfs/dbraw/zinc/92/63/31/721926331.db2.gz YZCFKRDQPUJMRR-MRXNPFEDSA-N 1 2 426.870 3.782 20 0 IHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164945028 721970485 /nfs/dbraw/zinc/97/04/85/721970485.db2.gz NEPQIJUPPCNAGT-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164945028 721970488 /nfs/dbraw/zinc/97/04/88/721970488.db2.gz NEPQIJUPPCNAGT-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945652 721980731 /nfs/dbraw/zinc/98/07/31/721980731.db2.gz CUJNNBZMCNUVMI-KRWDZBQOSA-N 1 2 442.007 3.923 20 0 IHADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945652 721980733 /nfs/dbraw/zinc/98/07/33/721980733.db2.gz CUJNNBZMCNUVMI-KRWDZBQOSA-N 1 2 442.007 3.923 20 0 IHADLO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1nc2ccccn2c1Br)C(F)(F)F ZINC000809617817 1126110512 /nfs/dbraw/zinc/11/05/12/1126110512.db2.gz BFDDSLUUSSVZDV-CJNGLKHVSA-N 1 2 428.252 3.721 20 0 IHADLO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001308732622 1126168332 /nfs/dbraw/zinc/16/83/32/1126168332.db2.gz SMAKRAPMVNGQSY-ZDUSSCGKSA-N 1 2 433.115 3.750 20 0 IHADLO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)c(O)c(Br)c2)cc1 ZINC001474444342 1126204613 /nfs/dbraw/zinc/20/46/13/1126204613.db2.gz ISAFKODXPWLDQC-CQSZACIVSA-N 1 2 429.152 3.919 20 0 IHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5[C@H](OCC6CCCC6)CC[C@H]54)c3C2)cc1 ZINC001164659236 719342447 /nfs/dbraw/zinc/34/24/47/719342447.db2.gz AQBMPNJTMRGSLF-CYXNTTPDSA-N 1 2 448.611 3.978 20 0 IHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5[C@H](OCC6CCCC6)CC[C@H]54)c3C2)cc1 ZINC001164659236 719342449 /nfs/dbraw/zinc/34/24/49/719342449.db2.gz AQBMPNJTMRGSLF-CYXNTTPDSA-N 1 2 448.611 3.978 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ccc1C(=O)OC)CC2 ZINC001164664115 719347004 /nfs/dbraw/zinc/34/70/04/719347004.db2.gz RMERDDLAUPIENX-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ccc1C(=O)OC)CC2 ZINC001164664115 719347006 /nfs/dbraw/zinc/34/70/06/719347006.db2.gz RMERDDLAUPIENX-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(=O)OC)c1C)CC2 ZINC001164663833 719348442 /nfs/dbraw/zinc/34/84/42/719348442.db2.gz NFCADHFPMLTKDP-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(=O)OC)c1C)CC2 ZINC001164663833 719348444 /nfs/dbraw/zinc/34/84/44/719348444.db2.gz NFCADHFPMLTKDP-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+][n-]c(Cl)c3ncnc1-3)CC2 ZINC001164660626 719351830 /nfs/dbraw/zinc/35/18/30/719351830.db2.gz WEVLIMDWWSVNPO-UHFFFAOYSA-N 1 2 448.962 3.701 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+][n-]c(Cl)c3ncnc1-3)CC2 ZINC001164660626 719351833 /nfs/dbraw/zinc/35/18/33/719351833.db2.gz WEVLIMDWWSVNPO-UHFFFAOYSA-N 1 2 448.962 3.701 20 0 IHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(-c2ccccc2)n1 ZINC001164706007 719852707 /nfs/dbraw/zinc/85/27/07/719852707.db2.gz VYZVJMKRVXWETG-IBVKSMDESA-N 1 2 446.551 3.530 20 0 IHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc3ccccc32)nn1 ZINC001164705734 719872956 /nfs/dbraw/zinc/87/29/56/719872956.db2.gz OIVIPKHOXRPZOU-FQRUVTKNSA-N 1 2 446.551 3.530 20 0 IHADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767494 721272590 /nfs/dbraw/zinc/27/25/90/721272590.db2.gz RJVYTTFBNLOWQO-GFCCVEGCSA-N 1 2 441.269 3.635 20 0 IHADLO CCc1nc2sc3c(c2c(N2CCCn4c(C[N@H+](C)C(C)C)nnc4C2)n1)CCC3 ZINC001165009110 721712975 /nfs/dbraw/zinc/71/29/75/721712975.db2.gz PKGVAQMOEUJOAH-UHFFFAOYSA-N 1 2 425.606 3.584 20 0 IHADLO CCc1nc2sc3c(c2c(N2CCCn4c(C[N@@H+](C)C(C)C)nnc4C2)n1)CCC3 ZINC001165009110 721712980 /nfs/dbraw/zinc/71/29/80/721712980.db2.gz PKGVAQMOEUJOAH-UHFFFAOYSA-N 1 2 425.606 3.584 20 0 IHADLO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)C(F)(F)F ZINC000677321539 1126105390 /nfs/dbraw/zinc/10/53/90/1126105390.db2.gz HNRRVVNJJWGLDI-FUHWJXTLSA-N 1 2 428.817 3.684 20 0 IHADLO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1nc2ccccn2c1Br)C(F)(F)F ZINC000809617822 1126110474 /nfs/dbraw/zinc/11/04/74/1126110474.db2.gz BFDDSLUUSSVZDV-XJKSGUPXSA-N 1 2 428.252 3.721 20 0 IHADLO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC001620623864 1126241285 /nfs/dbraw/zinc/24/12/85/1126241285.db2.gz JCPZQNLHSPNXEZ-HXUWFJFHSA-N 1 2 434.309 3.645 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)OC)cc1F)CC2 ZINC001164663405 719349114 /nfs/dbraw/zinc/34/91/14/719349114.db2.gz GAATWNNZSXQYEM-UHFFFAOYSA-N 1 2 449.530 3.702 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)OC)cc1F)CC2 ZINC001164663405 719349118 /nfs/dbraw/zinc/34/91/18/719349118.db2.gz GAATWNNZSXQYEM-UHFFFAOYSA-N 1 2 449.530 3.702 20 0 IHADLO C[Si](C)(C)c1ccc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164676602 719564063 /nfs/dbraw/zinc/56/40/63/719564063.db2.gz COQPEKIRFFNPFQ-UHFFFAOYSA-N 1 2 437.954 3.621 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(Cl)(Cl)Oc1ccc(Cl)nc1 ZINC001164724962 720317714 /nfs/dbraw/zinc/31/77/14/720317714.db2.gz UAQBQRTUDHDOJD-HNNXBMFYSA-N 1 2 446.766 3.716 20 0 IHADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5cc(C)ccc5n4)CC3)C2=O)cs1 ZINC001164823977 720357676 /nfs/dbraw/zinc/35/76/76/720357676.db2.gz FFDCLBXAOGRHIM-UHFFFAOYSA-N 1 2 435.597 3.621 20 0 IHADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5cc(C)ccc5n4)CC3)C2=O)cs1 ZINC001164823977 720357686 /nfs/dbraw/zinc/35/76/86/720357686.db2.gz FFDCLBXAOGRHIM-UHFFFAOYSA-N 1 2 435.597 3.621 20 0 IHADLO COc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1Cl ZINC001164767967 721274188 /nfs/dbraw/zinc/27/41/88/721274188.db2.gz IBGHAVFTQHVVKS-CQSZACIVSA-N 1 2 435.862 3.595 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)C2 ZINC001165009554 721711522 /nfs/dbraw/zinc/71/15/22/721711522.db2.gz UWFHWCKOZCBUIF-UHFFFAOYSA-N 1 2 443.555 3.567 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)C2 ZINC001165009554 721711524 /nfs/dbraw/zinc/71/15/24/721711524.db2.gz UWFHWCKOZCBUIF-UHFFFAOYSA-N 1 2 443.555 3.567 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001165008574 721714102 /nfs/dbraw/zinc/71/41/02/721714102.db2.gz HMPPGRVSFDLJHS-UHFFFAOYSA-N 1 2 434.573 3.595 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001165008574 721714106 /nfs/dbraw/zinc/71/41/06/721714106.db2.gz HMPPGRVSFDLJHS-UHFFFAOYSA-N 1 2 434.573 3.595 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001165008625 721714567 /nfs/dbraw/zinc/71/45/67/721714567.db2.gz JBJSKUMBDIPPIU-UHFFFAOYSA-N 1 2 445.930 3.903 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)C2 ZINC001165008625 721714570 /nfs/dbraw/zinc/71/45/70/721714570.db2.gz JBJSKUMBDIPPIU-UHFFFAOYSA-N 1 2 445.930 3.903 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccn3)nc3sccc31)C2 ZINC001165012011 721717966 /nfs/dbraw/zinc/71/79/66/721717966.db2.gz YNDFJONDKFCCLW-UHFFFAOYSA-N 1 2 434.573 3.595 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccn3)nc3sccc31)C2 ZINC001165012011 721717972 /nfs/dbraw/zinc/71/79/72/721717972.db2.gz YNDFJONDKFCCLW-UHFFFAOYSA-N 1 2 434.573 3.595 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccn3)nc3ccccc32)CC1 ZINC001164919034 721819098 /nfs/dbraw/zinc/81/90/98/721819098.db2.gz YTXIVFKSKVKENG-UHFFFAOYSA-N 1 2 425.540 3.638 20 0 IHADLO COc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)c(Cl)nn2)c1 ZINC001165043621 721926350 /nfs/dbraw/zinc/92/63/50/721926350.db2.gz NLVUBORUJVQYHG-KRWDZBQOSA-N 1 2 438.906 3.652 20 0 IHADLO CCCCOc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164946924 721977623 /nfs/dbraw/zinc/97/76/23/721977623.db2.gz MFYNYVDLJZQXGY-UHFFFAOYSA-N 1 2 442.991 3.885 20 0 IHADLO CCCCOc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164946924 721977624 /nfs/dbraw/zinc/97/76/24/721977624.db2.gz MFYNYVDLJZQXGY-UHFFFAOYSA-N 1 2 442.991 3.885 20 0 IHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164948224 721978459 /nfs/dbraw/zinc/97/84/59/721978459.db2.gz VNXNRPVLHUJBFN-UHFFFAOYSA-N 1 2 442.563 3.632 20 0 IHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164948224 721978462 /nfs/dbraw/zinc/97/84/62/721978462.db2.gz VNXNRPVLHUJBFN-UHFFFAOYSA-N 1 2 442.563 3.632 20 0 IHADLO CCOC(=O)c1c(C)cc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)[nH+]c1C ZINC001164992322 722183700 /nfs/dbraw/zinc/18/37/00/722183700.db2.gz SHQVMRFAVSRVDY-PMACEKPBSA-N 1 2 444.601 3.510 20 0 IHADLO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C(F)(F)F ZINC000679931397 1126105543 /nfs/dbraw/zinc/10/55/43/1126105543.db2.gz XKALKTBYICMBOG-ZWKOTPCHSA-N 1 2 428.817 3.684 20 0 IHADLO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1nc2ccc(Br)cc2[nH]1)C(F)(F)F ZINC001460687096 1126191427 /nfs/dbraw/zinc/19/14/27/1126191427.db2.gz CVNWTENEGADHKU-NVXWUHKLSA-N 1 2 428.252 3.950 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc(OC)n1)CC2 ZINC001164664503 719345292 /nfs/dbraw/zinc/34/52/92/719345292.db2.gz WHPPGTADWBTLRA-UHFFFAOYSA-N 1 2 438.963 3.833 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc(OC)n1)CC2 ZINC001164664503 719345296 /nfs/dbraw/zinc/34/52/96/719345296.db2.gz WHPPGTADWBTLRA-UHFFFAOYSA-N 1 2 438.963 3.833 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)OC)CC2 ZINC001164664499 719347037 /nfs/dbraw/zinc/34/70/37/719347037.db2.gz WCRJBZYXTUHPNZ-UHFFFAOYSA-N 1 2 431.540 3.563 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)OC)CC2 ZINC001164664499 719347038 /nfs/dbraw/zinc/34/70/38/719347038.db2.gz WCRJBZYXTUHPNZ-UHFFFAOYSA-N 1 2 431.540 3.563 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4ncccc42)CC3)cc1 ZINC001164673875 719498050 /nfs/dbraw/zinc/49/80/50/719498050.db2.gz SSJYMOKTDGHJLN-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4ncccc42)CC3)cc1 ZINC001164673875 719498064 /nfs/dbraw/zinc/49/80/64/719498064.db2.gz SSJYMOKTDGHJLN-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO CC(C)(C)NC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164671686 719517298 /nfs/dbraw/zinc/51/72/98/719517298.db2.gz HHPGTJGAIJLLDC-UHFFFAOYSA-N 1 2 440.563 3.620 20 0 IHADLO CC(C)(C)NC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164671686 719517303 /nfs/dbraw/zinc/51/73/03/719517303.db2.gz HHPGTJGAIJLLDC-UHFFFAOYSA-N 1 2 440.563 3.620 20 0 IHADLO CSc1nc(Cl)cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)n1 ZINC001164759009 720973662 /nfs/dbraw/zinc/97/36/62/720973662.db2.gz YJSVVVWFESJWQT-CYBMUJFWSA-N 1 2 429.924 3.656 20 0 IHADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758953 720977925 /nfs/dbraw/zinc/97/79/25/720977925.db2.gz XOWYAAKVCDDNTC-HNNXBMFYSA-N 1 2 449.889 3.967 20 0 IHADLO Fc1cccc2c(Cl)nc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc12 ZINC001164791607 721398918 /nfs/dbraw/zinc/39/89/18/721398918.db2.gz ZVLNWFLCXQIXCF-TXEJJXNPSA-N 1 2 439.894 3.992 20 0 IHADLO Fc1cccc2c(Cl)nc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc12 ZINC001164791607 721398921 /nfs/dbraw/zinc/39/89/21/721398921.db2.gz ZVLNWFLCXQIXCF-TXEJJXNPSA-N 1 2 439.894 3.992 20 0 IHADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164785466 721420903 /nfs/dbraw/zinc/42/09/03/721420903.db2.gz MOIMUVWQXJSQNX-STQMWFEESA-N 1 2 437.903 3.733 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001165010938 721698636 /nfs/dbraw/zinc/69/86/36/721698636.db2.gz OPKCZMFVRAFIKG-UHFFFAOYSA-N 1 2 441.939 3.732 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001165010938 721698639 /nfs/dbraw/zinc/69/86/39/721698639.db2.gz OPKCZMFVRAFIKG-UHFFFAOYSA-N 1 2 441.939 3.732 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001165008629 721707787 /nfs/dbraw/zinc/70/77/87/721707787.db2.gz JISSWYVESMRMDP-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001165008629 721707788 /nfs/dbraw/zinc/70/77/88/721707788.db2.gz JISSWYVESMRMDP-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO COc1cc2c(cc1F)cc(Cl)nc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011039 721721733 /nfs/dbraw/zinc/72/17/33/721721733.db2.gz MQBIWDLCLYTVAR-UHFFFAOYSA-N 1 2 432.931 3.878 20 0 IHADLO COc1cc2c(cc1F)cc(Cl)nc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011039 721721736 /nfs/dbraw/zinc/72/17/36/721721736.db2.gz MQBIWDLCLYTVAR-UHFFFAOYSA-N 1 2 432.931 3.878 20 0 IHADLO Clc1cc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164912701 721775456 /nfs/dbraw/zinc/77/54/56/721775456.db2.gz OQNRCWCAWFJRDM-IBGZPJMESA-N 1 2 443.762 3.545 20 0 IHADLO Clc1cc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164912701 721775458 /nfs/dbraw/zinc/77/54/58/721775458.db2.gz OQNRCWCAWFJRDM-IBGZPJMESA-N 1 2 443.762 3.545 20 0 IHADLO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)c1 ZINC001164917122 721818537 /nfs/dbraw/zinc/81/85/37/721818537.db2.gz BSHIWXLYDDJZQZ-UHFFFAOYSA-N 1 2 427.952 3.948 20 0 IHADLO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)c1 ZINC001164917122 721818540 /nfs/dbraw/zinc/81/85/40/721818540.db2.gz BSHIWXLYDDJZQZ-UHFFFAOYSA-N 1 2 427.952 3.948 20 0 IHADLO COC(=O)c1nc(Cl)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164998888 722212677 /nfs/dbraw/zinc/21/26/77/722212677.db2.gz YLJWRICULWZTHY-HXUWFJFHSA-N 1 2 439.318 3.954 20 0 IHADLO COC(=O)c1nc(Cl)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164998888 722212684 /nfs/dbraw/zinc/21/26/84/722212684.db2.gz YLJWRICULWZTHY-HXUWFJFHSA-N 1 2 439.318 3.954 20 0 IHADLO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1nc2ccccn2c1Br)C(F)(F)F ZINC000809617819 1126110667 /nfs/dbraw/zinc/11/06/67/1126110667.db2.gz BFDDSLUUSSVZDV-CZUORRHYSA-N 1 2 428.252 3.721 20 0 IHADLO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1nc2ccc(Br)cc2[nH]1)C(F)(F)F ZINC001460687104 1126191411 /nfs/dbraw/zinc/19/14/11/1126191411.db2.gz CVNWTENEGADHKU-RDJZCZTQSA-N 1 2 428.252 3.950 20 0 IHADLO O=C(NCc1nc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1)c1ccccc1 ZINC001620534887 1126240836 /nfs/dbraw/zinc/24/08/36/1126240836.db2.gz XUHXAOANPYOOEN-AZUAARDMSA-N 1 2 449.498 3.697 20 0 IHADLO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022056039 525549862 /nfs/dbraw/zinc/54/98/62/525549862.db2.gz IVAWCVDHOTUAQF-OAQYLSRUSA-N 1 2 446.016 3.536 20 0 IHADLO FC(F)(c1cnc(Cl)nc1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418524 718890023 /nfs/dbraw/zinc/89/00/23/718890023.db2.gz OQZKJUKIFIOXEG-LBPRGKRZSA-N 1 2 444.667 3.663 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cnccc31)CC2 ZINC001164662892 719346901 /nfs/dbraw/zinc/34/69/01/719346901.db2.gz AROKBCWBDAMPBU-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cnccc31)CC2 ZINC001164662892 719346905 /nfs/dbraw/zinc/34/69/05/719346905.db2.gz AROKBCWBDAMPBU-UHFFFAOYSA-N 1 2 425.540 3.720 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(COC)nc(C)n1)CC2 ZINC001164664207 719349188 /nfs/dbraw/zinc/34/91/88/719349188.db2.gz UJGMSYPWSYGSRS-UHFFFAOYSA-N 1 2 432.572 3.626 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(COC)nc(C)n1)CC2 ZINC001164664207 719349191 /nfs/dbraw/zinc/34/91/91/719349191.db2.gz UJGMSYPWSYGSRS-UHFFFAOYSA-N 1 2 432.572 3.626 20 0 IHADLO CSc1nc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2s1 ZINC001164669902 719517242 /nfs/dbraw/zinc/51/72/42/719517242.db2.gz AJCDVWVXBLXZCJ-UHFFFAOYSA-N 1 2 445.589 3.819 20 0 IHADLO CSc1nc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2s1 ZINC001164669902 719517247 /nfs/dbraw/zinc/51/72/47/719517247.db2.gz AJCDVWVXBLXZCJ-UHFFFAOYSA-N 1 2 445.589 3.819 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676432 719566146 /nfs/dbraw/zinc/56/61/46/719566146.db2.gz BCVDHIQHNAFVHX-UHFFFAOYSA-N 1 2 443.845 3.532 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676529 719566668 /nfs/dbraw/zinc/56/66/68/719566668.db2.gz HBYMAKFAPAGYMH-UHFFFAOYSA-N 1 2 443.845 3.532 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164725474 720315326 /nfs/dbraw/zinc/31/53/26/720315326.db2.gz VUCNAVWTLDSXPC-GOSISDBHSA-N 1 2 448.905 3.845 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1cc(Cl)nc(Cl)c1 ZINC001164722865 720317965 /nfs/dbraw/zinc/31/79/65/720317965.db2.gz MMKDHHAPMVBMND-AWEZNQCLSA-N 1 2 448.301 3.830 20 0 IHADLO Fc1cccc2c(Cl)nc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc12 ZINC001164791606 721399259 /nfs/dbraw/zinc/39/92/59/721399259.db2.gz ZVLNWFLCXQIXCF-RYUDHWBXSA-N 1 2 439.894 3.992 20 0 IHADLO Fc1ccc2nc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164789021 721408511 /nfs/dbraw/zinc/40/85/11/721408511.db2.gz UJUXONNXPHAIRO-TXEJJXNPSA-N 1 2 439.894 3.992 20 0 IHADLO Fc1ccc2nc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164789021 721408513 /nfs/dbraw/zinc/40/85/13/721408513.db2.gz UJUXONNXPHAIRO-TXEJJXNPSA-N 1 2 439.894 3.992 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001165009723 721701481 /nfs/dbraw/zinc/70/14/81/721701481.db2.gz CFOAETHUYGOGTL-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001165009723 721701483 /nfs/dbraw/zinc/70/14/83/721701483.db2.gz CFOAETHUYGOGTL-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001165009053 721707059 /nfs/dbraw/zinc/70/70/59/721707059.db2.gz NXYUWXTUUASTQE-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001165009053 721707063 /nfs/dbraw/zinc/70/70/63/721707063.db2.gz NXYUWXTUUASTQE-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1nc2ccc(Br)cc2[nH]1)C(F)(F)F ZINC001460687088 1126191368 /nfs/dbraw/zinc/19/13/68/1126191368.db2.gz CVNWTENEGADHKU-DOTOQJQBSA-N 1 2 428.252 3.950 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4COC[C@@H]4C3)c2c1C ZINC001164388034 718819339 /nfs/dbraw/zinc/81/93/39/718819339.db2.gz MJLUPTDEHYQSAU-IRXDYDNUSA-N 1 2 444.601 3.635 20 0 IHADLO FC(F)(c1cncc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417992 718890548 /nfs/dbraw/zinc/89/05/48/718890548.db2.gz MKYUPOWBIIXDGZ-LLVKDONJSA-N 1 2 444.667 3.663 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cnc(F)cc31)CC2 ZINC001164662917 719348406 /nfs/dbraw/zinc/34/84/06/719348406.db2.gz AZFGUICKSRZZRB-UHFFFAOYSA-N 1 2 443.530 3.859 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cnc(F)cc31)CC2 ZINC001164662917 719348408 /nfs/dbraw/zinc/34/84/08/719348408.db2.gz AZFGUICKSRZZRB-UHFFFAOYSA-N 1 2 443.530 3.859 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC)c(C)n1)CC2 ZINC001164663449 719349261 /nfs/dbraw/zinc/34/92/61/719349261.db2.gz HCBNALSEJNPQJX-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC)c(C)n1)CC2 ZINC001164663449 719349263 /nfs/dbraw/zinc/34/92/63/719349263.db2.gz HCBNALSEJNPQJX-UHFFFAOYSA-N 1 2 445.567 3.871 20 0 IHADLO CC(C)(C)NC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672325 719507972 /nfs/dbraw/zinc/50/79/72/719507972.db2.gz KTOWHUMWRBPFGC-UHFFFAOYSA-N 1 2 440.563 3.620 20 0 IHADLO CC(C)(C)NC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672325 719507982 /nfs/dbraw/zinc/50/79/82/719507982.db2.gz KTOWHUMWRBPFGC-UHFFFAOYSA-N 1 2 440.563 3.620 20 0 IHADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674466 719507997 /nfs/dbraw/zinc/50/79/97/719507997.db2.gz XTROXFLBHVNJMK-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674466 719508006 /nfs/dbraw/zinc/50/80/06/719508006.db2.gz XTROXFLBHVNJMK-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4cc(Cl)cnc42)CC3)cc1 ZINC001164674007 719513354 /nfs/dbraw/zinc/51/33/54/719513354.db2.gz YOZNDFOBXKMCJU-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4cc(Cl)cnc42)CC3)cc1 ZINC001164674007 719513363 /nfs/dbraw/zinc/51/33/63/719513363.db2.gz YOZNDFOBXKMCJU-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(N4CCCCCC4)n2)CC3)cc1 ZINC001164678955 719527456 /nfs/dbraw/zinc/52/74/56/719527456.db2.gz PCEUPYXJHFCVFB-UHFFFAOYSA-N 1 2 439.579 3.868 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(N4CCCCCC4)n2)CC3)cc1 ZINC001164678955 719527468 /nfs/dbraw/zinc/52/74/68/719527468.db2.gz PCEUPYXJHFCVFB-UHFFFAOYSA-N 1 2 439.579 3.868 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164721122 720313062 /nfs/dbraw/zinc/31/30/62/720313062.db2.gz FNJBUMXCUBZPTB-GOSISDBHSA-N 1 2 448.905 3.845 20 0 IHADLO Cc1nc(CN2CCN(C)C3(CCN(c4cc(C)c5ccccc5[nH+]4)CC3)C2=O)cs1 ZINC001164824865 720367998 /nfs/dbraw/zinc/36/79/98/720367998.db2.gz OVYJTTGNBCEKIG-UHFFFAOYSA-N 1 2 435.597 3.621 20 0 IHADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869563 721220067 /nfs/dbraw/zinc/22/00/67/721220067.db2.gz DALUVRPFLHYHMO-UHFFFAOYSA-N 1 2 444.313 3.685 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)CC1 ZINC001164917881 721819234 /nfs/dbraw/zinc/81/92/34/721819234.db2.gz KJJSXRLCERTELM-UHFFFAOYSA-N 1 2 448.905 3.881 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)CC1 ZINC001164917881 721819236 /nfs/dbraw/zinc/81/92/36/721819236.db2.gz KJJSXRLCERTELM-UHFFFAOYSA-N 1 2 448.905 3.881 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)CC1 ZINC001164919239 721821495 /nfs/dbraw/zinc/82/14/95/721821495.db2.gz OKKFRKKJLRCLLK-UHFFFAOYSA-N 1 2 430.767 3.644 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)CC1 ZINC001164919239 721821496 /nfs/dbraw/zinc/82/14/96/721821496.db2.gz OKKFRKKJLRCLLK-UHFFFAOYSA-N 1 2 430.767 3.644 20 0 IHADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945653 721980839 /nfs/dbraw/zinc/98/08/39/721980839.db2.gz CUJNNBZMCNUVMI-QGZVFWFLSA-N 1 2 442.007 3.923 20 0 IHADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945653 721980841 /nfs/dbraw/zinc/98/08/41/721980841.db2.gz CUJNNBZMCNUVMI-QGZVFWFLSA-N 1 2 442.007 3.923 20 0 IHADLO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056208 722017617 /nfs/dbraw/zinc/01/76/17/722017617.db2.gz ZWAULNBNIZHMHB-UHFFFAOYSA-N 1 2 438.645 3.910 20 0 IHADLO O=C(Cc1nc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1)Nc1ccccc1 ZINC001560100996 1126208132 /nfs/dbraw/zinc/20/81/32/1126208132.db2.gz ZJTXMGKDQVTDLU-WIYYLYMNSA-N 1 2 449.498 3.948 20 0 IHADLO FC(F)(c1nccc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164422156 718890010 /nfs/dbraw/zinc/89/00/10/718890010.db2.gz ZYXTYOYWLJQGRF-NSHDSACASA-N 1 2 444.667 3.663 20 0 IHADLO FC(F)(c1cnnc(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417288 718890604 /nfs/dbraw/zinc/89/06/04/718890604.db2.gz IZQOSSZSEGCGHU-GFCCVEGCSA-N 1 2 444.667 3.663 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c1ncn3C)CC2 ZINC001164663754 719346680 /nfs/dbraw/zinc/34/66/80/719346680.db2.gz LHBZJJYPQMFKNN-UHFFFAOYSA-N 1 2 427.556 3.663 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c1ncn3C)CC2 ZINC001164663754 719346682 /nfs/dbraw/zinc/34/66/82/719346682.db2.gz LHBZJJYPQMFKNN-UHFFFAOYSA-N 1 2 427.556 3.663 20 0 IHADLO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164670251 719510468 /nfs/dbraw/zinc/51/04/68/719510468.db2.gz CBHFJHZTTIRFMS-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164670251 719510477 /nfs/dbraw/zinc/51/04/77/719510477.db2.gz CBHFJHZTTIRFMS-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671711 719515921 /nfs/dbraw/zinc/51/59/21/719515921.db2.gz IOWMXQCLRLAASC-POHAHGRESA-N 1 2 439.531 3.668 20 0 IHADLO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671711 719515935 /nfs/dbraw/zinc/51/59/35/719515935.db2.gz IOWMXQCLRLAASC-POHAHGRESA-N 1 2 439.531 3.668 20 0 IHADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676499 719564839 /nfs/dbraw/zinc/56/48/39/719564839.db2.gz COPGIGMCCHZVBU-UHFFFAOYSA-N 1 2 432.818 3.503 20 0 IHADLO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677335 719567128 /nfs/dbraw/zinc/56/71/28/719567128.db2.gz ZBGAZZQLYUUVBT-NRFANRHFSA-N 1 2 440.866 3.720 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)cnc1Cl ZINC001164721384 720311823 /nfs/dbraw/zinc/31/18/23/720311823.db2.gz GSZOIQOSQSANSJ-HNNXBMFYSA-N 1 2 432.302 3.951 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164721017 720314415 /nfs/dbraw/zinc/31/44/15/720314415.db2.gz CSTIACOQNLKKNE-MRXNPFEDSA-N 1 2 436.894 3.779 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Sc1ccc(Cl)nc1 ZINC001164726164 720317284 /nfs/dbraw/zinc/31/72/84/720317284.db2.gz YGRIDACVWNIUOL-OAHLLOKOSA-N 1 2 429.924 3.890 20 0 IHADLO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164832223 720397705 /nfs/dbraw/zinc/39/77/05/720397705.db2.gz ZXEYJGPVNMVSBW-UHFFFAOYSA-N 1 2 429.862 3.680 20 0 IHADLO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828689 720398550 /nfs/dbraw/zinc/39/85/50/720398550.db2.gz KKDOXDLQLGFKMU-UHFFFAOYSA-N 1 2 429.862 3.680 20 0 IHADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829555 720400755 /nfs/dbraw/zinc/40/07/55/720400755.db2.gz NBXIJDOTZWRTKD-UHFFFAOYSA-N 1 2 447.921 3.795 20 0 IHADLO C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164875836 721240207 /nfs/dbraw/zinc/24/02/07/721240207.db2.gz XNAIVKRHXBZKMH-LJQANCHMSA-N 1 2 444.583 3.739 20 0 IHADLO C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164875836 721240219 /nfs/dbraw/zinc/24/02/19/721240219.db2.gz XNAIVKRHXBZKMH-LJQANCHMSA-N 1 2 444.583 3.739 20 0 IHADLO COc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c(Cl)n1 ZINC001164766336 721272992 /nfs/dbraw/zinc/27/29/92/721272992.db2.gz DNXQQDKSDAWXMK-CQSZACIVSA-N 1 2 435.862 3.595 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)C2 ZINC001165009930 721714223 /nfs/dbraw/zinc/71/42/23/721714223.db2.gz XLMVBZSTFOHILM-LJQANCHMSA-N 1 2 448.619 3.851 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)C2 ZINC001165009930 721714235 /nfs/dbraw/zinc/71/42/35/721714235.db2.gz XLMVBZSTFOHILM-LJQANCHMSA-N 1 2 448.619 3.851 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3c(Cl)ncnc3c2)CC1 ZINC001164918862 721813335 /nfs/dbraw/zinc/81/33/35/721813335.db2.gz UGVGDTGQZZJGPY-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3c(Cl)ncnc3c2)CC1 ZINC001164918862 721813338 /nfs/dbraw/zinc/81/33/38/721813338.db2.gz UGVGDTGQZZJGPY-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165047460 721961578 /nfs/dbraw/zinc/96/15/78/721961578.db2.gz SSLBPHFNBBSZNM-UHFFFAOYSA-N 1 2 440.878 3.573 20 0 IHADLO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1nc2ccc(Br)cc2[nH]1)C(F)(F)F ZINC001460687111 1126191482 /nfs/dbraw/zinc/19/14/82/1126191482.db2.gz CVNWTENEGADHKU-WBVHZDCISA-N 1 2 428.252 3.950 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[C@@H]4[C@@H](F)C3)c2c1C ZINC001164430618 718964498 /nfs/dbraw/zinc/96/44/98/718964498.db2.gz HPWFMPJFGPBTSE-JYJNAYRXSA-N 1 2 432.565 3.957 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3onc(C)c31)CC2 ZINC001164659643 719354433 /nfs/dbraw/zinc/35/44/33/719354433.db2.gz RMPBAOZOEIAHNM-UHFFFAOYSA-N 1 2 429.528 3.621 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3onc(C)c31)CC2 ZINC001164659643 719354436 /nfs/dbraw/zinc/35/44/36/719354436.db2.gz RMPBAOZOEIAHNM-UHFFFAOYSA-N 1 2 429.528 3.621 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nnc(Cl)c4cccnc42)CC3)cc1 ZINC001164673898 719508935 /nfs/dbraw/zinc/50/89/35/719508935.db2.gz UMUFXOWQAYYBPG-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nnc(Cl)c4cccnc42)CC3)cc1 ZINC001164673898 719508936 /nfs/dbraw/zinc/50/89/36/719508936.db2.gz UMUFXOWQAYYBPG-UHFFFAOYSA-N 1 2 427.911 3.689 20 0 IHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)cc(Cl)n1 ZINC001164702423 719853571 /nfs/dbraw/zinc/85/35/71/719853571.db2.gz NBHPSIQHFGIAEX-CVDCTZTESA-N 1 2 429.948 3.635 20 0 IHADLO COc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cc(Cl)n1 ZINC001164769433 721272517 /nfs/dbraw/zinc/27/25/17/721272517.db2.gz YNLSAOUZLPGNAV-AWEZNQCLSA-N 1 2 435.862 3.595 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164780856 721424306 /nfs/dbraw/zinc/42/43/06/721424306.db2.gz APYQOPLOLRQJBK-HUUCEWRRSA-N 1 2 448.930 3.762 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788995 721430105 /nfs/dbraw/zinc/43/01/05/721430105.db2.gz UXRNILLLJNFWGG-KBPBESRZSA-N 1 2 448.930 3.762 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CC1 ZINC001164917069 721818005 /nfs/dbraw/zinc/81/80/05/721818005.db2.gz BCIRHVIPOHPYAO-UHFFFAOYSA-N 1 2 448.905 3.654 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CC1 ZINC001164917069 721818008 /nfs/dbraw/zinc/81/80/08/721818008.db2.gz BCIRHVIPOHPYAO-UHFFFAOYSA-N 1 2 448.905 3.654 20 0 IHADLO CSc1ccc(Oc2cc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)ncn2)cc1 ZINC001164918368 721818127 /nfs/dbraw/zinc/81/81/27/721818127.db2.gz PUUOZHYZXSCXPU-UHFFFAOYSA-N 1 2 436.585 3.937 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc3ccn(C(=O)c4ccccc4)c3n2)CC1 ZINC001164918993 721818337 /nfs/dbraw/zinc/81/83/37/721818337.db2.gz YCOOFJKQECBBJP-UHFFFAOYSA-N 1 2 440.551 3.671 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC1 ZINC001164919105 721820999 /nfs/dbraw/zinc/82/09/99/721820999.db2.gz MGJQGTDQZKJDTH-UHFFFAOYSA-N 1 2 432.302 3.759 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC1 ZINC001164919105 721821001 /nfs/dbraw/zinc/82/10/01/721821001.db2.gz MGJQGTDQZKJDTH-UHFFFAOYSA-N 1 2 432.302 3.759 20 0 IHADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044033 721958191 /nfs/dbraw/zinc/95/81/91/721958191.db2.gz CUUJWTXZZNQDSZ-UHFFFAOYSA-N 1 2 434.874 3.909 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044918 721959924 /nfs/dbraw/zinc/95/99/24/721959924.db2.gz QHRGVMWXTKVAOC-UHFFFAOYSA-N 1 2 445.901 3.938 20 0 IHADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000013528820 562991960 /nfs/dbraw/zinc/99/19/60/562991960.db2.gz YMPLJTQXVDRIBX-UHFFFAOYSA-N 1 2 429.484 3.510 20 0 IHADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164670037 719517839 /nfs/dbraw/zinc/51/78/39/719517839.db2.gz ARZDVVREQMXNPI-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164670037 719517852 /nfs/dbraw/zinc/51/78/52/719517852.db2.gz ARZDVVREQMXNPI-UHFFFAOYSA-N 1 2 427.520 3.577 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164721069 720314098 /nfs/dbraw/zinc/31/40/98/720314098.db2.gz DJUWPJAEPGROJW-GOSISDBHSA-N 1 2 448.905 3.845 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788997 721430117 /nfs/dbraw/zinc/43/01/17/721430117.db2.gz UXRNILLLJNFWGG-OKILXGFUSA-N 1 2 448.930 3.762 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788997 721430119 /nfs/dbraw/zinc/43/01/19/721430119.db2.gz UXRNILLLJNFWGG-OKILXGFUSA-N 1 2 448.930 3.762 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001165007952 721695222 /nfs/dbraw/zinc/69/52/22/721695222.db2.gz HNNQCEANCJOYFA-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001165007952 721695224 /nfs/dbraw/zinc/69/52/24/721695224.db2.gz HNNQCEANCJOYFA-UHFFFAOYSA-N 1 2 435.910 3.670 20 0 IHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3c(Cl)ccc(F)c3n1)CC2 ZINC001164950515 721980961 /nfs/dbraw/zinc/98/09/61/721980961.db2.gz VKOSBFRNZRWGCN-UHFFFAOYSA-N 1 2 438.934 3.998 20 0 IHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3c(Cl)ccc(F)c3n1)CC2 ZINC001164950515 721980963 /nfs/dbraw/zinc/98/09/63/721980963.db2.gz VKOSBFRNZRWGCN-UHFFFAOYSA-N 1 2 438.934 3.998 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4cccc4C3)c2c1C ZINC001165051186 721991876 /nfs/dbraw/zinc/99/18/76/721991876.db2.gz CSCYXMUTASWYSV-UHFFFAOYSA-N 1 2 439.585 3.984 20 0 IHADLO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)C(F)(F)F ZINC000677321544 1126105340 /nfs/dbraw/zinc/10/53/40/1126105340.db2.gz HNRRVVNJJWGLDI-WMZOPIPTSA-N 1 2 428.817 3.684 20 0 IHADLO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)c(O)c(Br)c2)cc1 ZINC001474444341 1126204606 /nfs/dbraw/zinc/20/46/06/1126204606.db2.gz ISAFKODXPWLDQC-AWEZNQCLSA-N 1 2 429.152 3.919 20 0 IHADLO O=C(NCc1nc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1)c1ccccc1 ZINC001620534889 1126240915 /nfs/dbraw/zinc/24/09/15/1126240915.db2.gz XUHXAOANPYOOEN-QUCCMNQESA-N 1 2 449.498 3.697 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(CCOC4)C3)c2c1C ZINC001164388803 718807923 /nfs/dbraw/zinc/80/79/23/718807923.db2.gz CUMOQCVRRONQFC-HSZRJFAPSA-N 1 2 444.601 3.779 20 0 IHADLO F[C@@H](Oc1ccnc(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418465 718889950 /nfs/dbraw/zinc/88/99/50/718889950.db2.gz NZKBLGAYPUVMBV-SUMWQHHRSA-N 1 2 441.688 3.851 20 0 IHADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4C[C@H]4[C@@H](F)C3)c2c1C ZINC001164430619 718964537 /nfs/dbraw/zinc/96/45/37/718964537.db2.gz HPWFMPJFGPBTSE-OAGGEKHMSA-N 1 2 432.565 3.957 20 0 IHADLO Fc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c12 ZINC001164666664 719493545 /nfs/dbraw/zinc/49/35/45/719493545.db2.gz FLIBLWNFVVCDKO-UHFFFAOYSA-N 1 2 433.890 3.761 20 0 IHADLO Fc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c12 ZINC001164666664 719493550 /nfs/dbraw/zinc/49/35/50/719493550.db2.gz FLIBLWNFVVCDKO-UHFFFAOYSA-N 1 2 433.890 3.761 20 0 IHADLO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674526 719497858 /nfs/dbraw/zinc/49/78/58/719497858.db2.gz YZXIPAQHPRBSNU-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674526 719497864 /nfs/dbraw/zinc/49/78/64/719497864.db2.gz YZXIPAQHPRBSNU-UHFFFAOYSA-N 1 2 433.911 3.532 20 0 IHADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc(-c4cccnc4F)n2)CC3)cc1 ZINC001164673370 719516444 /nfs/dbraw/zinc/51/64/44/719516444.db2.gz QLICVSLLHRBGOO-UHFFFAOYSA-N 1 2 437.494 3.688 20 0 IHADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc(-c4cccnc4F)n2)CC3)cc1 ZINC001164673370 719516449 /nfs/dbraw/zinc/51/64/49/719516449.db2.gz QLICVSLLHRBGOO-UHFFFAOYSA-N 1 2 437.494 3.688 20 0 IHADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(SCc2ccccc2)ccn1 ZINC001164701687 719871691 /nfs/dbraw/zinc/87/16/91/719871691.db2.gz GQQPTRBPLSIHDC-RDPSFJRHSA-N 1 2 441.597 3.607 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001164720829 720310972 /nfs/dbraw/zinc/31/09/72/720310972.db2.gz ARTCVHYLIKDCAE-QGZVFWFLSA-N 1 2 448.905 3.845 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)cc1Cl ZINC001164722297 720312909 /nfs/dbraw/zinc/31/29/09/720312909.db2.gz JZDWSSDXQUMRHO-OAHLLOKOSA-N 1 2 432.302 3.951 20 0 IHADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164785465 721420013 /nfs/dbraw/zinc/42/00/13/721420013.db2.gz MOIMUVWQXJSQNX-CHWSQXEVSA-N 1 2 437.903 3.733 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784370 721424151 /nfs/dbraw/zinc/42/41/51/721424151.db2.gz LIWCNYCEXLNMKI-GJZGRUSLSA-N 1 2 448.930 3.762 20 0 IHADLO CCOC(=O)c1cc2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)[nH]c-2n1 ZINC001164910107 721758426 /nfs/dbraw/zinc/75/84/26/721758426.db2.gz MNCNTRHMKXDTKS-UHFFFAOYSA-N 1 2 445.523 3.922 20 0 IHADLO CCOC(=O)c1cc2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)[nH]c-2n1 ZINC001164910107 721758431 /nfs/dbraw/zinc/75/84/31/721758431.db2.gz MNCNTRHMKXDTKS-UHFFFAOYSA-N 1 2 445.523 3.922 20 0 IHADLO CCOC(=O)c1cc2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2[nH]1 ZINC001164910107 721758432 /nfs/dbraw/zinc/75/84/32/721758432.db2.gz MNCNTRHMKXDTKS-UHFFFAOYSA-N 1 2 445.523 3.922 20 0 IHADLO CCOC(=O)c1cc2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2[nH]1 ZINC001164910107 721758434 /nfs/dbraw/zinc/75/84/34/721758434.db2.gz MNCNTRHMKXDTKS-UHFFFAOYSA-N 1 2 445.523 3.922 20 0 IHADLO Clc1cc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164912702 721775218 /nfs/dbraw/zinc/77/52/18/721775218.db2.gz OQNRCWCAWFJRDM-LJQANCHMSA-N 1 2 443.762 3.545 20 0 IHADLO Clc1cc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164912702 721775220 /nfs/dbraw/zinc/77/52/20/721775220.db2.gz OQNRCWCAWFJRDM-LJQANCHMSA-N 1 2 443.762 3.545 20 0 IHADLO Cn1ccc(CN2CCOCC23CCN(c2cc(SCc4ccccc4)cc[nH+]2)CC3)n1 ZINC001164934997 721908694 /nfs/dbraw/zinc/90/86/94/721908694.db2.gz BXFVKNQLXUIFDC-UHFFFAOYSA-N 1 2 449.624 3.979 20 0 IHADLO Fc1ccccc1-c1cc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)nn1 ZINC001165043607 721926293 /nfs/dbraw/zinc/92/62/93/721926293.db2.gz MXWJCPHRJZVJCR-AWEZNQCLSA-N 1 2 426.870 3.782 20 0 IHADLO COc1ccccc1-c1cc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)nn1 ZINC001165044751 721926401 /nfs/dbraw/zinc/92/64/01/721926401.db2.gz VYCLWNDQBJFYTJ-OAHLLOKOSA-N 1 2 438.906 3.652 20 0 IHADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164945563 721978755 /nfs/dbraw/zinc/97/87/55/721978755.db2.gz AGHFBXZVRUIYAX-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164945563 721978758 /nfs/dbraw/zinc/97/87/58/721978758.db2.gz AGHFBXZVRUIYAX-UHFFFAOYSA-N 1 2 447.970 3.768 20 0 IHADLO Cc1ccc(C)c(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)c1 ZINC001164948959 721979679 /nfs/dbraw/zinc/97/96/79/721979679.db2.gz NRMRQYCVLNQKTM-UHFFFAOYSA-N 1 2 441.579 3.731 20 0 IHADLO Cc1ccc(C)c(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)c1 ZINC001164948959 721979683 /nfs/dbraw/zinc/97/96/83/721979683.db2.gz NRMRQYCVLNQKTM-UHFFFAOYSA-N 1 2 441.579 3.731 20 0 IHADLO CCCN(CCC)c1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc[nH+]1 ZINC001164990586 722184239 /nfs/dbraw/zinc/18/42/39/722184239.db2.gz OFINTWHXDQAFFE-LEWJYISDSA-N 1 2 444.649 3.738 20 0 IHADLO CCCN(CCC)c1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)[nH+]cn1 ZINC001164990586 722184240 /nfs/dbraw/zinc/18/42/40/722184240.db2.gz OFINTWHXDQAFFE-LEWJYISDSA-N 1 2 444.649 3.738 20 0 IHADLO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001308732621 1126168361 /nfs/dbraw/zinc/16/83/61/1126168361.db2.gz SMAKRAPMVNGQSY-CYBMUJFWSA-N 1 2 433.115 3.750 20 0 IHADLO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2noc(Cc3ccc(Br)cc3)n2)cc1 ZINC001560182011 1126208412 /nfs/dbraw/zinc/20/84/12/1126208412.db2.gz BURZZOSRLMTBMY-NRFANRHFSA-N 1 2 446.345 3.515 20 0 IHADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5[C@H](OCC6CCCC6)CC[C@@H]54)c3C2)cc1 ZINC001164659243 719342270 /nfs/dbraw/zinc/34/22/70/719342270.db2.gz AQBMPNJTMRGSLF-NXCFDTQHSA-N 1 2 448.611 3.978 20 0 IHADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5[C@H](OCC6CCCC6)CC[C@@H]54)c3C2)cc1 ZINC001164659243 719342274 /nfs/dbraw/zinc/34/22/74/719342274.db2.gz AQBMPNJTMRGSLF-NXCFDTQHSA-N 1 2 448.611 3.978 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3nc[nH]c31)CC2 ZINC001164663880 719345640 /nfs/dbraw/zinc/34/56/40/719345640.db2.gz OIMICPHEPQVHJZ-UHFFFAOYSA-N 1 2 448.962 3.701 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3nc[nH]c31)CC2 ZINC001164663880 719345643 /nfs/dbraw/zinc/34/56/43/719345643.db2.gz OIMICPHEPQVHJZ-UHFFFAOYSA-N 1 2 448.962 3.701 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OCOC)cn1)CC2 ZINC001164658980 719350211 /nfs/dbraw/zinc/35/02/11/719350211.db2.gz OGDZHYJYPQBVEB-UHFFFAOYSA-N 1 2 433.556 3.759 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OCOC)cn1)CC2 ZINC001164658980 719350215 /nfs/dbraw/zinc/35/02/15/719350215.db2.gz OGDZHYJYPQBVEB-UHFFFAOYSA-N 1 2 433.556 3.759 20 0 IHADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164721123 720313685 /nfs/dbraw/zinc/31/36/85/720313685.db2.gz FNJBUMXCUBZPTB-SFHVURJKSA-N 1 2 448.905 3.845 20 0 IHADLO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831641 720399528 /nfs/dbraw/zinc/39/95/28/720399528.db2.gz WWUGXYQGSXKPQY-UHFFFAOYSA-N 1 2 429.862 3.680 20 0 IHADLO CSc1nc(Cl)cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)n1 ZINC001164759010 720973479 /nfs/dbraw/zinc/97/34/79/720973479.db2.gz YJSVVVWFESJWQT-ZDUSSCGKSA-N 1 2 429.924 3.656 20 0 IHADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755783 720978759 /nfs/dbraw/zinc/97/87/59/720978759.db2.gz BUPNTDAMCOJXAA-ZDUSSCGKSA-N 1 2 432.302 3.674 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001165008160 721716627 /nfs/dbraw/zinc/71/66/27/721716627.db2.gz BSCMVFBSONKSTK-UHFFFAOYSA-N 1 2 429.931 3.778 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001165008160 721716631 /nfs/dbraw/zinc/71/66/31/721716631.db2.gz BSCMVFBSONKSTK-UHFFFAOYSA-N 1 2 429.931 3.778 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001165011841 721719100 /nfs/dbraw/zinc/71/91/00/721719100.db2.gz WLGXKFDDVMILCM-UHFFFAOYSA-N 1 2 434.972 3.532 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001165011841 721719105 /nfs/dbraw/zinc/71/91/05/721719105.db2.gz WLGXKFDDVMILCM-UHFFFAOYSA-N 1 2 434.972 3.532 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001165009695 721721623 /nfs/dbraw/zinc/72/16/23/721721623.db2.gz AEHNHTXNAXYJBY-UHFFFAOYSA-N 1 2 445.930 3.903 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc(Cl)nc1Oc1ccccc1F)C2 ZINC001165009695 721721628 /nfs/dbraw/zinc/72/16/28/721721628.db2.gz AEHNHTXNAXYJBY-UHFFFAOYSA-N 1 2 445.930 3.903 20 0 IHADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001165010364 721722479 /nfs/dbraw/zinc/72/24/79/721722479.db2.gz GPQGUWMYOONRIA-UHFFFAOYSA-N 1 2 433.771 3.540 20 0 IHADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001165010364 721722481 /nfs/dbraw/zinc/72/24/81/721722481.db2.gz GPQGUWMYOONRIA-UHFFFAOYSA-N 1 2 433.771 3.540 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC001164918758 721818969 /nfs/dbraw/zinc/81/89/69/721818969.db2.gz UDSAGIXXYIDFJA-UHFFFAOYSA-N 1 2 425.540 3.638 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(c2cc(F)ccc2-c2ccc(Cl)nn2)CC1 ZINC001164918956 721820220 /nfs/dbraw/zinc/82/02/20/721820220.db2.gz JGFUUVZSYFFDOA-UHFFFAOYSA-N 1 2 426.927 3.882 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(c2cc(F)ccc2-c2ccc(Cl)nn2)CC1 ZINC001164918956 721820221 /nfs/dbraw/zinc/82/02/21/721820221.db2.gz JGFUUVZSYFFDOA-UHFFFAOYSA-N 1 2 426.927 3.882 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(-c3nc(-c4cccs4)no3)ccn2)CC1 ZINC001164918981 721820415 /nfs/dbraw/zinc/82/04/15/721820415.db2.gz JOJWYDXCVXTUEO-UHFFFAOYSA-N 1 2 447.568 3.806 20 0 IHADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(C)c5cccc(C)c5[nH+]4)CCO3)C2)cs1 ZINC001164919515 721823883 /nfs/dbraw/zinc/82/38/83/721823883.db2.gz SCZNLSVVGKQGFP-XMMPIXPASA-N 1 2 438.597 3.724 20 0 IHADLO O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426759782 1126088643 /nfs/dbraw/zinc/08/86/43/1126088643.db2.gz OOPMOJHDHOXMTB-LJQANCHMSA-N 1 2 439.313 3.902 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1OC)CC2 ZINC001164662988 719345565 /nfs/dbraw/zinc/34/55/65/719345565.db2.gz BRNHVJJOWSBLOK-UHFFFAOYSA-N 1 2 438.963 3.833 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1OC)CC2 ZINC001164662988 719345567 /nfs/dbraw/zinc/34/55/67/719345567.db2.gz BRNHVJJOWSBLOK-UHFFFAOYSA-N 1 2 438.963 3.833 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)cc1C(=O)OC)CC2 ZINC001164663038 719346196 /nfs/dbraw/zinc/34/61/96/719346196.db2.gz CFHATBXPZSMNPY-UHFFFAOYSA-N 1 2 449.530 3.702 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)cc1C(=O)OC)CC2 ZINC001164663038 719346199 /nfs/dbraw/zinc/34/61/99/719346199.db2.gz CFHATBXPZSMNPY-UHFFFAOYSA-N 1 2 449.530 3.702 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nncc1OC)CC2 ZINC001164664500 719349806 /nfs/dbraw/zinc/34/98/06/719349806.db2.gz WDIMAGAPASVJOR-UHFFFAOYSA-N 1 2 438.963 3.833 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nncc1OC)CC2 ZINC001164664500 719349810 /nfs/dbraw/zinc/34/98/10/719349810.db2.gz WDIMAGAPASVJOR-UHFFFAOYSA-N 1 2 438.963 3.833 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)cc1F)CC2 ZINC001164662898 719350538 /nfs/dbraw/zinc/35/05/38/719350538.db2.gz ASPJVSANXRMPQN-UHFFFAOYSA-N 1 2 426.927 3.964 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)cc1F)CC2 ZINC001164662898 719350542 /nfs/dbraw/zinc/35/05/42/719350542.db2.gz ASPJVSANXRMPQN-UHFFFAOYSA-N 1 2 426.927 3.964 20 0 IHADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671054 719494984 /nfs/dbraw/zinc/49/49/84/719494984.db2.gz ZFRKAJKWQDZFIL-JXMROGBWSA-N 1 2 439.531 3.668 20 0 IHADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671054 719494985 /nfs/dbraw/zinc/49/49/85/719494985.db2.gz ZFRKAJKWQDZFIL-JXMROGBWSA-N 1 2 439.531 3.668 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676489 719565833 /nfs/dbraw/zinc/56/58/33/719565833.db2.gz CKIWNIWSCLSBIQ-UHFFFAOYSA-N 1 2 443.845 3.532 20 0 IHADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(-c2ccccc2)n1 ZINC001164706006 719852886 /nfs/dbraw/zinc/85/28/86/719852886.db2.gz VYZVJMKRVXWETG-FQRUVTKNSA-N 1 2 446.551 3.530 20 0 IHADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(SCc2ccccc2)ccn1 ZINC001164701689 719871752 /nfs/dbraw/zinc/87/17/52/719871752.db2.gz GQQPTRBPLSIHDC-YKSBVNFPSA-N 1 2 441.597 3.607 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164720869 720311265 /nfs/dbraw/zinc/31/12/65/720311265.db2.gz BSLSBDDITMOJOR-OAHLLOKOSA-N 1 2 432.302 3.951 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784374 721424301 /nfs/dbraw/zinc/42/43/01/721424301.db2.gz LIWCNYCEXLNMKI-HUUCEWRRSA-N 1 2 448.930 3.762 20 0 IHADLO Cc1c(Cl)ccc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164917778 721791194 /nfs/dbraw/zinc/79/11/94/721791194.db2.gz ZCMDJDDDQFRXRK-XMMPIXPASA-N 1 2 438.959 3.699 20 0 IHADLO Cc1c(Cl)ccc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164917778 721791195 /nfs/dbraw/zinc/79/11/95/721791195.db2.gz ZCMDJDDDQFRXRK-XMMPIXPASA-N 1 2 438.959 3.699 20 0 IHADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3oc(-c4ccc(C)cc4)nc32)CC1 ZINC001164917025 721819538 /nfs/dbraw/zinc/81/95/38/721819538.db2.gz AKZQHOKJNOLZPX-UHFFFAOYSA-N 1 2 429.528 3.539 20 0 IHADLO CCCN(CCC)c1cc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc[nH+]1 ZINC001164990696 722184230 /nfs/dbraw/zinc/18/42/30/722184230.db2.gz OFINTWHXDQAFFE-SFTDATJTSA-N 1 2 444.649 3.738 20 0 IHADLO CCCN(CCC)c1cc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)[nH+]cn1 ZINC001164990696 722184231 /nfs/dbraw/zinc/18/42/31/722184231.db2.gz OFINTWHXDQAFFE-SFTDATJTSA-N 1 2 444.649 3.738 20 0 IHADLO FC(F)(c1cnc(Cl)nc1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418521 718890142 /nfs/dbraw/zinc/89/01/42/718890142.db2.gz OQZKJUKIFIOXEG-GFCCVEGCSA-N 1 2 444.667 3.663 20 0 IHADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001164654495 719322731 /nfs/dbraw/zinc/32/27/31/719322731.db2.gz QINPAHANBGHRNX-JOCHJYFZSA-N 1 2 430.911 3.646 20 0 IHADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001164654495 719322734 /nfs/dbraw/zinc/32/27/34/719322734.db2.gz QINPAHANBGHRNX-JOCHJYFZSA-N 1 2 430.911 3.646 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(N3CCCC3)n1)CC2 ZINC001164658095 719352613 /nfs/dbraw/zinc/35/26/13/719352613.db2.gz DHCTZCRIOHSZEK-UHFFFAOYSA-N 1 2 443.599 3.772 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(N3CCCC3)n1)CC2 ZINC001164658095 719352617 /nfs/dbraw/zinc/35/26/17/719352617.db2.gz DHCTZCRIOHSZEK-UHFFFAOYSA-N 1 2 443.599 3.772 20 0 IHADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1OC(C)C)CC2 ZINC001164658516 719354448 /nfs/dbraw/zinc/35/44/48/719354448.db2.gz HZCKUMIBONYFHH-UHFFFAOYSA-N 1 2 432.572 3.959 20 0 IHADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1OC(C)C)CC2 ZINC001164658516 719354451 /nfs/dbraw/zinc/35/44/51/719354451.db2.gz HZCKUMIBONYFHH-UHFFFAOYSA-N 1 2 432.572 3.959 20 0 IHADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164668531 719492580 /nfs/dbraw/zinc/49/25/80/719492580.db2.gz QHTKPRLUMABNBD-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164668531 719492585 /nfs/dbraw/zinc/49/25/85/719492585.db2.gz QHTKPRLUMABNBD-UHFFFAOYSA-N 1 2 447.938 3.922 20 0 IHADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccnc(Cl)c1Cl ZINC001164721491 720312689 /nfs/dbraw/zinc/31/26/89/720312689.db2.gz HBJWURCDVRJJSC-CQSZACIVSA-N 1 2 432.302 3.951 20 0 IHADLO Clc1ccc(OC(Cl)(Cl)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cn1 ZINC001164756301 720983349 /nfs/dbraw/zinc/98/33/49/720983349.db2.gz GOYWAXXZGUIOSA-CQSZACIVSA-N 1 2 431.751 3.958 20 0 IHADLO FC(F)(COc1ccnc(Cl)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769005 721273200 /nfs/dbraw/zinc/27/32/00/721273200.db2.gz NBWHCXWCAHSZKP-HNNXBMFYSA-N 1 2 435.862 3.509 20 0 IHADLO Fc1ccc2nc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164789023 721408929 /nfs/dbraw/zinc/40/89/29/721408929.db2.gz UJUXONNXPHAIRO-VXGBXAGGSA-N 1 2 439.894 3.992 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cccc3c(Cl)ncnc32)CC1 ZINC001164918298 721819807 /nfs/dbraw/zinc/81/98/07/721819807.db2.gz MMHWNUKQTIIHBS-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cccc3c(Cl)ncnc32)CC1 ZINC001164918298 721819811 /nfs/dbraw/zinc/81/98/11/721819811.db2.gz MMHWNUKQTIIHBS-UHFFFAOYSA-N 1 2 432.906 3.774 20 0 IHADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC1 ZINC001164918697 721821557 /nfs/dbraw/zinc/82/15/57/721821557.db2.gz HEPCKFWNARYWPJ-UHFFFAOYSA-N 1 2 432.302 3.759 20 0 IHADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC1 ZINC001164918697 721821560 /nfs/dbraw/zinc/82/15/60/721821560.db2.gz HEPCKFWNARYWPJ-UHFFFAOYSA-N 1 2 432.302 3.759 20 0 IHADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C)c5cccc(C)c5[nH+]4)CCO3)C2)cs1 ZINC001164919513 721823761 /nfs/dbraw/zinc/82/37/61/721823761.db2.gz SCZNLSVVGKQGFP-DEOSSOPVSA-N 1 2 438.597 3.724 20 0 IHADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044927 721959677 /nfs/dbraw/zinc/95/96/77/721959677.db2.gz QKAFKXWBMSKFPJ-UHFFFAOYSA-N 1 2 445.901 3.938 20 0 IHADLO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001474449639 1126204646 /nfs/dbraw/zinc/20/46/46/1126204646.db2.gz WHJBLFSKVUXIQO-AWEZNQCLSA-N 1 2 429.152 3.919 20 0 IHADLO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC001620623863 1126241299 /nfs/dbraw/zinc/24/12/99/1126241299.db2.gz JCPZQNLHSPNXEZ-FQEVSTJZSA-N 1 2 434.309 3.645 20 0 IHADLO COc1cc(I)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000013579607 562994483 /nfs/dbraw/zinc/99/44/83/562994483.db2.gz ZUEUSOPEOZVFIR-QGZVFWFLSA-N 1 2 439.293 3.580 20 0 IHADLO COc1cc(I)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000013579607 562994485 /nfs/dbraw/zinc/99/44/85/562994485.db2.gz ZUEUSOPEOZVFIR-QGZVFWFLSA-N 1 2 439.293 3.580 20 0 IHADLO