smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C1CC2(C1)CCN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164386690 718802177 /nfs/dbraw/zinc/80/21/77/718802177.db2.gz DMIDTWDEZNOZFR-UHFFFAOYSA-N 1 0 449.624 3.898 20 0 IHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164387548 718814320 /nfs/dbraw/zinc/81/43/20/718814320.db2.gz IAIOOWDSABDQJW-AWEZNQCLSA-N 1 0 427.801 3.577 20 0 IHADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)c2ccccc21 ZINC001164400909 718863191 /nfs/dbraw/zinc/86/31/91/718863191.db2.gz AUTUPGDHSMTZKD-LIRRHRJNSA-N 1 0 447.917 3.648 20 0 IHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164413953 718880482 /nfs/dbraw/zinc/88/04/82/718880482.db2.gz PAQLNEFEYNRTDP-GFCCVEGCSA-N 1 0 427.801 3.720 20 0 IHADRO Clc1nc2c(c(N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164422746 718941001 /nfs/dbraw/zinc/94/10/01/718941001.db2.gz BRWUAISBYAMFEN-NFBKMPQASA-N 1 0 431.971 3.764 20 0 IHADRO Cc1cccc(CN2C(=O)COC3(CC[NH+](C(C)(C)c4ccnc(Cl)c4)CC3)[C@H]2C)n1 ZINC001164430990 718951625 /nfs/dbraw/zinc/95/16/25/718951625.db2.gz YMEQXXWKNKLEMB-GOSISDBHSA-N 1 0 442.991 3.956 20 0 IHADRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164427453 718954510 /nfs/dbraw/zinc/95/45/10/718954510.db2.gz CRGWPSHIXYEZJU-XMMPIXPASA-N 1 0 448.611 3.679 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164617194 719009029 /nfs/dbraw/zinc/00/90/29/719009029.db2.gz MZJKRPGSDBFNME-DNVCBOLYSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164619261 719018495 /nfs/dbraw/zinc/01/84/95/719018495.db2.gz VAUCLPQJPWNBPC-JEBQAFNWSA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4cc(F)c(F)cc4nc3Cl)CC2)CC1 ZINC001164614495 719025335 /nfs/dbraw/zinc/02/53/35/719025335.db2.gz UAASCJJXGMWVQS-UHFFFAOYSA-N 1 0 438.906 3.805 20 0 IHADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624039 719049426 /nfs/dbraw/zinc/04/94/26/719049426.db2.gz NSQITHLHJKVHIH-FXAWDEMLSA-N 1 0 436.890 3.955 20 0 IHADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2CF)CC1 ZINC001164620227 719121643 /nfs/dbraw/zinc/12/16/43/719121643.db2.gz HZWILAPUHMRFGT-NVXWUHKLSA-N 1 0 429.609 3.679 20 0 IHADRO c1sc([C@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3O2)nc1C1CC1 ZINC001164649317 719289689 /nfs/dbraw/zinc/28/96/89/719289689.db2.gz WFFIPOGLERKALF-DFQSSKMNSA-N 1 0 426.586 3.857 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164652092 719326376 /nfs/dbraw/zinc/32/63/76/719326376.db2.gz BGGDCQFVHFKGFV-OUMCCJGNSA-N 1 0 426.605 3.529 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1 ZINC001164654738 719327965 /nfs/dbraw/zinc/32/79/65/719327965.db2.gz MSNHJNWPLKWICQ-QFIPXVFZSA-N 1 0 433.560 3.604 20 0 IHADRO COc1cc(Oc2ccnc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164674273 719421178 /nfs/dbraw/zinc/42/11/78/719421178.db2.gz VQRQDXBQLQQPKK-DHLKQENFSA-N 1 0 447.535 3.981 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164670174 719443754 /nfs/dbraw/zinc/44/37/54/719443754.db2.gz NRMHWYUMYSIPGM-VQTJNVASSA-N 1 0 429.549 3.940 20 0 IHADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)c2c1CC[NH2+]C2 ZINC001164681575 719618948 /nfs/dbraw/zinc/61/89/48/719618948.db2.gz IJBKOLWBKWOQQM-UHFFFAOYSA-N 1 0 438.885 3.702 20 0 IHADRO CC(C)N(C)Cc1nn(-c2nc3ccccc3nc2N2CCCC[C@H]2C)c2c1CC[NH2+]C2 ZINC001164680137 719638859 /nfs/dbraw/zinc/63/88/59/719638859.db2.gz PLKHUQHKXKCDTC-GOSISDBHSA-N 1 0 433.604 3.680 20 0 IHADRO Cc1nc(Cl)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681368 719653755 /nfs/dbraw/zinc/65/37/55/719653755.db2.gz MNWFXMSTIIFGBV-SFHVURJKSA-N 1 0 442.007 3.532 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4ncsc43)CC2)c2ccccc21 ZINC001164686117 719674329 /nfs/dbraw/zinc/67/43/29/719674329.db2.gz WPPKKGQPUZPTIG-GOSISDBHSA-N 1 0 449.624 3.785 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C4CCC4)ncn3)CC2)c2ccccc21 ZINC001164688214 719680657 /nfs/dbraw/zinc/68/06/57/719680657.db2.gz YARGLIPUXHJWBI-OAQYLSRUSA-N 1 0 447.627 3.838 20 0 IHADRO CCOC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(OC)c1 ZINC001164692104 719810308 /nfs/dbraw/zinc/81/03/08/719810308.db2.gz GAWUBJFSIZNVNW-UHFFFAOYSA-N 1 0 430.574 3.667 20 0 IHADRO CC(C)(C)OC(=O)Nc1nccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694926 719889987 /nfs/dbraw/zinc/88/99/87/719889987.db2.gz HKEIIGNIZQIKDQ-UHFFFAOYSA-N 1 0 445.589 3.757 20 0 IHADRO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696232 719896934 /nfs/dbraw/zinc/89/69/34/719896934.db2.gz CWOWSDNSVZIPMT-UHFFFAOYSA-N 1 0 444.935 3.616 20 0 IHADRO Nc1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cnc1Cl ZINC001164698232 719897174 /nfs/dbraw/zinc/89/71/74/719897174.db2.gz QAFAXVWBSQVXEV-UHFFFAOYSA-N 1 0 428.936 3.795 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001164711656 720098972 /nfs/dbraw/zinc/09/89/72/720098972.db2.gz SFLAOCOUKOBTHX-KRWDZBQOSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164710299 720099847 /nfs/dbraw/zinc/09/98/47/720099847.db2.gz IIMLWWDLPSFNSE-LJQANCHMSA-N 1 0 427.980 3.910 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(OC)cc31)CC2 ZINC001164710688 720103964 /nfs/dbraw/zinc/10/39/64/720103964.db2.gz LCCZPFJKWBDQDB-HXUWFJFHSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)ccc31)CC2 ZINC001164716276 720118109 /nfs/dbraw/zinc/11/81/09/720118109.db2.gz KBOVFIKFRDWZQF-HXUWFJFHSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3ccc(OC)cc3n1)CC2 ZINC001164716966 720118590 /nfs/dbraw/zinc/11/85/90/720118590.db2.gz MNDBRRDNLQAOHA-FQEVSTJZSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(OC)n1)CC2 ZINC001164714232 720125397 /nfs/dbraw/zinc/12/53/97/720125397.db2.gz AXJKCQBDCAOUDS-HXUWFJFHSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164818378 720154056 /nfs/dbraw/zinc/15/40/56/720154056.db2.gz SLNIGSINRMCRIT-KDOFPFPSSA-N 1 0 435.346 3.599 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)C2 ZINC001164816868 720172958 /nfs/dbraw/zinc/17/29/58/720172958.db2.gz NMHCEFUEFGRYQQ-NLFFAJNJSA-N 1 0 433.556 3.778 20 0 IHADRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc2c(Cl)cccc12 ZINC001164718283 720191466 /nfs/dbraw/zinc/19/14/66/720191466.db2.gz ZHFSLHQULYXHSB-FQEVSTJZSA-N 1 0 440.979 3.541 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)C2 ZINC001164812999 720192370 /nfs/dbraw/zinc/19/23/70/720192370.db2.gz BJEIMSPNZGHBPP-NBGIEHNGSA-N 1 0 438.572 3.771 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164815256 720202285 /nfs/dbraw/zinc/20/22/85/720202285.db2.gz XZYSAUMOCIKSAI-YJBOKZPZSA-N 1 0 434.795 3.883 20 0 IHADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164816714 720244638 /nfs/dbraw/zinc/24/46/38/720244638.db2.gz LRMFBAXTDZRIRM-HNNXBMFYSA-N 1 0 433.000 3.759 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc3cccc(F)c31)CCC2 ZINC001164818340 720248447 /nfs/dbraw/zinc/24/84/47/720248447.db2.gz YPRCHGRBBJLNTR-UHFFFAOYSA-N 1 0 429.927 3.835 20 0 IHADRO COc1cccc2c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc(Cl)nc12 ZINC001164817619 720288403 /nfs/dbraw/zinc/28/84/03/720288403.db2.gz FHCOMFMXYOHEMK-MOPGFXCFSA-N 1 0 442.991 3.808 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)CC1 ZINC001164820605 720296812 /nfs/dbraw/zinc/29/68/12/720296812.db2.gz HTTKHMYNSJRYOS-SJORKVTESA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c(Cl)cccc32)CC1 ZINC001164818916 720313247 /nfs/dbraw/zinc/31/32/47/720313247.db2.gz BRJIBNNJXZWNJY-MSOLQXFVSA-N 1 0 448.398 3.848 20 0 IHADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823280 720318067 /nfs/dbraw/zinc/31/80/67/720318067.db2.gz AGSKWVIJXIBHFK-NHCUHLMSSA-N 1 0 442.991 3.808 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(Cl)c3ccc(Cl)cc32)CC1 ZINC001164821535 720348046 /nfs/dbraw/zinc/34/80/46/720348046.db2.gz APHXHBHRUXQCGV-OALUTQOASA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)Sc2ccc(Cl)nc2)CC1 ZINC001164830841 720354032 /nfs/dbraw/zinc/35/40/32/720354032.db2.gz XNJBTYAONBUBLQ-SJORKVTESA-N 1 0 444.979 3.785 20 0 IHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725466 720392334 /nfs/dbraw/zinc/39/23/34/720392334.db2.gz NOLJDHQGSKKBAK-GOTSBHOMSA-N 1 0 428.515 3.867 20 0 IHADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164725396 720394432 /nfs/dbraw/zinc/39/44/32/720394432.db2.gz NFNHDCMAVNAZSA-PKTZIBPZSA-N 1 0 428.515 3.867 20 0 IHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164723926 720405905 /nfs/dbraw/zinc/40/59/05/720405905.db2.gz ICUMPZXOJJAECS-ROUUACIJSA-N 1 0 426.883 3.705 20 0 IHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164722580 720407341 /nfs/dbraw/zinc/40/73/41/720407341.db2.gz DNRVXJAHPQTPLW-MSOLQXFVSA-N 1 0 426.883 3.705 20 0 IHADRO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727022 720455911 /nfs/dbraw/zinc/45/59/11/720455911.db2.gz CTVYDPWSOMAHIL-VXKWHMMOSA-N 1 0 429.524 3.553 20 0 IHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725317 720486325 /nfs/dbraw/zinc/48/63/25/720486325.db2.gz JNULOXPJGNNCDJ-SFTDATJTSA-N 1 0 445.945 3.905 20 0 IHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833658 720511143 /nfs/dbraw/zinc/51/11/43/720511143.db2.gz DLTDTJZTPMJSPJ-QWFCFKBJSA-N 1 0 445.995 3.794 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C1 ZINC001164728179 720513728 /nfs/dbraw/zinc/51/37/28/720513728.db2.gz JVTJLSXPAHUNOL-LJQANCHMSA-N 1 0 425.540 3.600 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)CC[C@@H]21 ZINC001164834415 720520821 /nfs/dbraw/zinc/52/08/21/720520821.db2.gz GCFYLBUADGGIDQ-DZKIICNBSA-N 1 0 445.345 3.903 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164842554 720528525 /nfs/dbraw/zinc/52/85/25/720528525.db2.gz YHXMNBXDMIWTHA-AABGKKOBSA-N 1 0 437.979 3.766 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)C1 ZINC001164734858 720530758 /nfs/dbraw/zinc/53/07/58/720530758.db2.gz SFHNJBZMCXOQLD-OAHLLOKOSA-N 1 0 432.906 3.736 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c(Cl)nc2c1 ZINC001164835827 720532226 /nfs/dbraw/zinc/53/22/26/720532226.db2.gz IBUOTFYYULXPDT-CBGDNZLLSA-N 1 0 440.979 3.866 20 0 IHADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164733720 720548362 /nfs/dbraw/zinc/54/83/62/720548362.db2.gz QEMSEGZUTRYKKM-LBPRGKRZSA-N 1 0 445.967 3.887 20 0 IHADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)s1 ZINC001164842150 720553963 /nfs/dbraw/zinc/55/39/63/720553963.db2.gz WZSDOUDUQSKAQF-ARFHVFGLSA-N 1 0 431.997 3.622 20 0 IHADRO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c21 ZINC001164835344 720553984 /nfs/dbraw/zinc/55/39/84/720553984.db2.gz GVLGIDLNDAYQFC-ZHALLVOQSA-N 1 0 440.979 3.866 20 0 IHADRO COc1cc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1OC ZINC001164838954 720561466 /nfs/dbraw/zinc/56/14/66/720561466.db2.gz OYKSYHLPKMBJIW-TUNNFDKTSA-N 1 0 435.572 3.826 20 0 IHADRO CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164840153 720573599 /nfs/dbraw/zinc/57/35/99/720573599.db2.gz RWQOEUGKWYDCSI-YPAWHYETSA-N 1 0 425.625 3.677 20 0 IHADRO COc1ccc(Cc2c(C)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2C)cc1 ZINC001164736646 720591555 /nfs/dbraw/zinc/59/15/55/720591555.db2.gz QBXWEORNXDRAPC-UHFFFAOYSA-N 1 0 446.599 3.548 20 0 IHADRO Clc1cccc(COc2cncc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)c1 ZINC001164739769 720594092 /nfs/dbraw/zinc/59/40/92/720594092.db2.gz HEWXGDVNGMYAIU-UHFFFAOYSA-N 1 0 438.963 3.564 20 0 IHADRO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164835253 720605495 /nfs/dbraw/zinc/60/54/95/720605495.db2.gz AUGPPODDPAXUPI-MIZPHKNDSA-N 1 0 432.572 3.727 20 0 IHADRO COc1ccc(-c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncn2)cc1 ZINC001164841223 720613663 /nfs/dbraw/zinc/61/36/63/720613663.db2.gz RSYLFYBKQHHYOJ-ZFGGDYGUSA-N 1 0 432.572 3.727 20 0 IHADRO 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CCCCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164750014 720927336 /nfs/dbraw/zinc/92/73/36/720927336.db2.gz ISFVSJRFZCNMBP-OZXSUGGESA-N 1 0 435.616 3.969 20 0 IHADRO COc1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755122 720927613 /nfs/dbraw/zinc/92/76/13/720927613.db2.gz YKIDMPFITQWPHT-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164863580 720971807 /nfs/dbraw/zinc/97/18/07/720971807.db2.gz WUHMHBKVXFRYKV-MRXNPFEDSA-N 1 0 433.000 3.835 20 0 IHADRO c1ncn2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C[C@@H](COCC1CC1)C2 ZINC001164756027 720976117 /nfs/dbraw/zinc/97/61/17/720976117.db2.gz DEKCPXNIRYSLBI-HSZRJFAPSA-N 1 0 443.595 3.899 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)[C@H]2C ZINC001164856581 721008203 /nfs/dbraw/zinc/00/82/03/721008203.db2.gz BAUNRAANTZZXAN-DJJJIMSYSA-N 1 0 446.905 3.553 20 0 IHADRO CCn1nnc2c1CCN(c1ccc(C[N@H+](C)C3CC3)cn1)[C@@H]2COCc1ccccc1 ZINC001164764001 721049138 /nfs/dbraw/zinc/04/91/38/721049138.db2.gz AHYPIKVKWHGSAH-HSZRJFAPSA-N 1 0 432.572 3.608 20 0 IHADRO Clc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866717 721078760 /nfs/dbraw/zinc/07/87/60/721078760.db2.gz UTCMFFNJPXYZCZ-HOTGVXAUSA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)C[C@@H]3C2)cn1 ZINC001164771597 721081939 /nfs/dbraw/zinc/08/19/39/721081939.db2.gz SGGNPMPLCOWENM-CVEARBPZSA-N 1 0 432.906 3.520 20 0 IHADRO Clc1cc2c(Cl)ccnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865185 721083502 /nfs/dbraw/zinc/08/35/02/721083502.db2.gz JLCFOWLQEXYGRA-JKSUJKDBSA-N 1 0 430.339 3.811 20 0 IHADRO Clc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164865799 721087048 /nfs/dbraw/zinc/08/70/48/721087048.db2.gz PPCIWUNEWKVLOD-HOTGVXAUSA-N 1 0 430.339 3.811 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164874480 721162118 /nfs/dbraw/zinc/16/21/18/721162118.db2.gz KCCZMJPLFXIWFQ-OALUTQOASA-N 1 0 439.922 3.811 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164878494 721163032 /nfs/dbraw/zinc/16/30/32/721163032.db2.gz QHRRXRYWPKZLIJ-OALUTQOASA-N 1 0 439.922 3.811 20 0 IHADRO Clc1cccc2nc(Cl)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc12 ZINC001164872185 721178911 /nfs/dbraw/zinc/17/89/11/721178911.db2.gz GUNFASILDKOWSM-HOTGVXAUSA-N 1 0 430.339 3.811 20 0 IHADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868260 721188995 /nfs/dbraw/zinc/18/89/95/721188995.db2.gz LJLNTONEJKFBDT-HZPDHXFCSA-N 1 0 426.920 3.748 20 0 IHADRO Clc1ccc2c(Cl)ncnc2c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871374 721189791 /nfs/dbraw/zinc/18/97/91/721189791.db2.gz YSXXXXXBTCTUNN-CVEARBPZSA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164766935 721207252 /nfs/dbraw/zinc/20/72/52/721207252.db2.gz JPYJFMWJBQWFEZ-HOTGVXAUSA-N 1 0 432.906 3.520 20 0 IHADRO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764592 721238979 /nfs/dbraw/zinc/23/89/79/721238979.db2.gz OWNVMDJYUCBASE-RTBURBONSA-N 1 0 438.963 3.923 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164876776 721329625 /nfs/dbraw/zinc/32/96/25/721329625.db2.gz QBRZGWAUFQBCMO-NHCUHLMSSA-N 1 0 445.571 3.944 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc5cc(F)ccc54)C3)O2)CC1 ZINC001164891862 721380188 /nfs/dbraw/zinc/38/01/88/721380188.db2.gz QZMNJPFRGPQCKJ-AUSIDOKSSA-N 1 0 432.971 3.793 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)O2)CC1 ZINC001164892816 721384233 /nfs/dbraw/zinc/38/42/33/721384233.db2.gz STWUITKLWMYLNL-QFBILLFUSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4Cl)C3)O2)CC1 ZINC001164886293 721388134 /nfs/dbraw/zinc/38/81/34/721388134.db2.gz DZBBQKWKKHBLDW-HNAYVOBHSA-N 1 0 449.373 3.699 20 0 IHADRO Cc1cc2nc(Cl)c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2cc1C ZINC001164890477 721422101 /nfs/dbraw/zinc/42/21/01/721422101.db2.gz SSELRNJUYJEBJO-YADARESESA-N 1 0 444.023 3.665 20 0 IHADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164897816 721425041 /nfs/dbraw/zinc/42/50/41/721425041.db2.gz UTEXWTJUMJNGIH-GBXCKJPGSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896832 721433334 /nfs/dbraw/zinc/43/33/34/721433334.db2.gz SDMPUUOCFHNJPQ-MBSDFSHPSA-N 1 0 436.044 3.501 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)C3)O2)CC1 ZINC001164891784 721438023 /nfs/dbraw/zinc/43/80/23/721438023.db2.gz HKUVMRHIHOCZCG-ZJSXRUAMSA-N 1 0 442.007 3.562 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164788619 721460579 /nfs/dbraw/zinc/46/05/79/721460579.db2.gz UUUWPTUPGXTOSO-IBGZPJMESA-N 1 0 435.012 3.741 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164789348 721461444 /nfs/dbraw/zinc/46/14/44/721461444.db2.gz XDFHCUKPJNDGJE-OAQYLSRUSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3cc(OC)ccc3cn1)CC2 ZINC001164786894 721463431 /nfs/dbraw/zinc/46/34/31/721463431.db2.gz QHLZRALWGTVNLZ-HSZRJFAPSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(OCC(C)C)n1)CC2 ZINC001164784457 721464431 /nfs/dbraw/zinc/46/44/31/721464431.db2.gz IBVKMGMSXZFCCA-QFIPXVFZSA-N 1 0 431.621 3.850 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1ccn3C(C)C)CC2 ZINC001164790206 721464647 /nfs/dbraw/zinc/46/46/47/721464647.db2.gz ZTABAIRZHDEOLZ-OAQYLSRUSA-N 1 0 441.620 3.746 20 0 IHADRO CCCSc1cncc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789226 721468739 /nfs/dbraw/zinc/46/87/39/721468739.db2.gz LYQYZKWUVYBKFT-FQEVSTJZSA-N 1 0 434.650 3.713 20 0 IHADRO CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)Cc2cnn(C)c21 ZINC001164793483 721478881 /nfs/dbraw/zinc/47/88/81/721478881.db2.gz WBXVRAQTNRSLIR-INIZCTEOSA-N 1 0 437.922 3.530 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164899484 721490724 /nfs/dbraw/zinc/49/07/24/721490724.db2.gz KQJLLZFAXYSWCC-IRLDBZIGSA-N 1 0 426.605 3.673 20 0 IHADRO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)no1 ZINC001164796324 721499716 /nfs/dbraw/zinc/49/97/16/721499716.db2.gz QCAALGGQGNUKRA-UHFFFAOYSA-N 1 0 446.555 3.906 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164796354 721500892 /nfs/dbraw/zinc/50/08/92/721500892.db2.gz QZUUOOIVLHIQFT-UHFFFAOYSA-N 1 0 429.568 3.568 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164897617 721502176 /nfs/dbraw/zinc/50/21/76/721502176.db2.gz NLDUJFMOTHXGRL-FCHUYYIVSA-N 1 0 428.621 3.776 20 0 IHADRO COc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899036 721508812 /nfs/dbraw/zinc/50/88/12/721508812.db2.gz JRVVMWWSLODNIS-CRAIPNDOSA-N 1 0 428.895 3.773 20 0 IHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900347 721512702 /nfs/dbraw/zinc/51/27/02/721512702.db2.gz QWAGGRNJGYSKHT-AEFFLSMTSA-N 1 0 433.911 3.701 20 0 IHADRO COCc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164897068 721514163 /nfs/dbraw/zinc/51/41/63/721514163.db2.gz DNHYSTOGWVGBDA-FYYLOGMGSA-N 1 0 434.515 3.771 20 0 IHADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911332 721539709 /nfs/dbraw/zinc/53/97/09/721539709.db2.gz WIBMMGZPTJMSRF-ICSRJNTNSA-N 1 0 446.954 3.698 20 0 IHADRO COc1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164904717 721539960 /nfs/dbraw/zinc/53/99/60/721539960.db2.gz GBCFYCIQPPVDTJ-ZBFHGGJFSA-N 1 0 427.854 3.770 20 0 IHADRO CC(C)(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2)n1 ZINC001164912309 721549107 /nfs/dbraw/zinc/54/91/07/721549107.db2.gz YSGNMMYEZUQMAP-ICSRJNTNSA-N 1 0 437.519 3.910 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CC[N@@H+]3C2)c1 ZINC001164907540 721565191 /nfs/dbraw/zinc/56/51/91/721565191.db2.gz OERYKYKLIJEZQH-HKUYNNGSSA-N 1 0 425.895 3.673 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CC[N@@H+]3C2)c1 ZINC001164907541 721565718 /nfs/dbraw/zinc/56/57/18/721565718.db2.gz OERYKYKLIJEZQH-IEBWSBKVSA-N 1 0 425.895 3.673 20 0 IHADRO COc1cc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc2cc1OC ZINC001164804090 721582266 /nfs/dbraw/zinc/58/22/66/721582266.db2.gz IHJJXQCRMCOZFI-CZSZKKDXSA-N 1 0 434.540 3.515 20 0 IHADRO COc1cc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc2cc1OC ZINC001164804092 721582379 /nfs/dbraw/zinc/58/23/79/721582379.db2.gz IHJJXQCRMCOZFI-TYBLODHISA-N 1 0 434.540 3.515 20 0 IHADRO FC1(F)CCN(c2ccc(N3CCCCC3)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164903383 721583624 /nfs/dbraw/zinc/58/36/24/721583624.db2.gz MUKDXKXYEWSFAT-QFIPXVFZSA-N 1 0 428.531 3.600 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801127 721589139 /nfs/dbraw/zinc/58/91/39/721589139.db2.gz DRYCUHBKOJHUBW-SLFFLAALSA-N 1 0 427.980 3.969 20 0 IHADRO FC(F)(c1ccc(Cl)nn1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907094 721691907 /nfs/dbraw/zinc/69/19/07/721691907.db2.gz RLQNETPEEYLOLX-QGZVFWFLSA-N 1 0 429.849 3.808 20 0 IHADRO COc1nc2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905415 721693857 /nfs/dbraw/zinc/69/38/57/721693857.db2.gz JBYHUCMDJNPIKC-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C)c1 ZINC001164907016 721695938 /nfs/dbraw/zinc/69/59/38/721695938.db2.gz QGUKNHQGMQSTFM-QFIPXVFZSA-N 1 0 430.499 3.699 20 0 IHADRO CSc1nc(Cl)ncc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906193 721703612 /nfs/dbraw/zinc/70/36/12/721703612.db2.gz KVSGBYSNAMIWIA-GOSISDBHSA-N 1 0 425.936 3.985 20 0 IHADRO Nc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907793 721711213 /nfs/dbraw/zinc/71/12/13/721711213.db2.gz UEBFUTWBMVDZJK-SFHVURJKSA-N 1 0 443.876 3.995 20 0 IHADRO CSc1cnc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907691 721720606 /nfs/dbraw/zinc/72/06/06/721720606.db2.gz SMRLYSYRFBMQOP-SFHVURJKSA-N 1 0 425.936 3.985 20 0 IHADRO Nc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164908532 721722087 /nfs/dbraw/zinc/72/20/87/721722087.db2.gz XPQGSLDYQHNLIY-SFHVURJKSA-N 1 0 443.876 3.995 20 0 IHADRO Cc1noc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164913476 721726450 /nfs/dbraw/zinc/72/64/50/721726450.db2.gz WDIKXOQXCFXGNJ-OAQYLSRUSA-N 1 0 426.471 3.573 20 0 IHADRO Cc1cccc(Oc2nc(Cl)ncc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165013275 721749555 /nfs/dbraw/zinc/74/95/55/721749555.db2.gz WHSNWGCSKLSIIT-UHFFFAOYSA-N 1 0 443.979 3.754 20 0 IHADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164908985 721759131 /nfs/dbraw/zinc/75/91/31/721759131.db2.gz BEWZUTKRRJBTHS-UHFFFAOYSA-N 1 0 447.583 3.739 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@@H]21 ZINC001165019511 721801717 /nfs/dbraw/zinc/80/17/17/721801717.db2.gz CMCLSZMMPVHDCB-JCGIZDLHSA-N 1 0 449.933 3.511 20 0 IHADRO CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165019896 721809243 /nfs/dbraw/zinc/80/92/43/721809243.db2.gz CBGIPHLMENGPNV-VCOUNFBDSA-N 1 0 433.556 3.872 20 0 IHADRO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH]c-2n1 ZINC001165021661 721818369 /nfs/dbraw/zinc/81/83/69/721818369.db2.gz FUJMDRBWVPEEQT-RCZSKKKRSA-N 1 0 433.556 3.872 20 0 IHADRO CSc1nc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024860 721818498 /nfs/dbraw/zinc/81/84/98/721818498.db2.gz KRWMQHUQNNNATB-BHYGNILZSA-N 1 0 426.615 3.940 20 0 IHADRO COC(=O)c1c(Cl)cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165027405 721821330 /nfs/dbraw/zinc/82/13/30/721821330.db2.gz SBQDTKCXZUGMPG-VDZJLULYSA-N 1 0 444.963 3.662 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@@H]21 ZINC001165023966 721825049 /nfs/dbraw/zinc/82/50/49/721825049.db2.gz IXCYDPJRFMZCCK-RYQLBKOJSA-N 1 0 437.922 3.729 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3ncccc3nc2Cl)CC1 ZINC001165023415 721840737 /nfs/dbraw/zinc/84/07/37/721840737.db2.gz WPSOYFHUHYMRMX-UHFFFAOYSA-N 1 0 427.936 3.796 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc(-c3cccc(F)c3)n2)CC1 ZINC001165022032 721843927 /nfs/dbraw/zinc/84/39/27/721843927.db2.gz NEZHCPZDTPEMJM-UHFFFAOYSA-N 1 0 437.519 3.796 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2C(=O)OC(C)C)CC1 ZINC001165030916 721844705 /nfs/dbraw/zinc/84/47/05/721844705.db2.gz LZHGVTAZKYXVNC-UHFFFAOYSA-N 1 0 427.545 3.765 20 0 IHADRO CN(CCCc1ccccc1)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165039455 721880660 /nfs/dbraw/zinc/88/06/60/721880660.db2.gz ZUTLDCXWOVKMMR-OAQYLSRUSA-N 1 0 438.616 3.949 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ccn5C)CC3)C2)cc1 ZINC001164939370 721924352 /nfs/dbraw/zinc/92/43/52/721924352.db2.gz KNFRPVASFQKMDH-UHFFFAOYSA-N 1 0 425.964 3.802 20 0 IHADRO CCOC(=O)c1cc2ccnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2[nH]1 ZINC001164939729 721925512 /nfs/dbraw/zinc/92/55/12/721925512.db2.gz MAXOXIQGDYGIQX-UHFFFAOYSA-N 1 0 448.567 3.919 20 0 IHADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc2N1C1CCCC1 ZINC001165050078 721970213 /nfs/dbraw/zinc/97/02/13/721970213.db2.gz ZUNXYFHFWINDCZ-FPOVZHCZSA-N 1 0 440.636 3.825 20 0 IHADRO CC1CCN(C(=O)c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2)CC1 ZINC001164955644 722021737 /nfs/dbraw/zinc/02/17/37/722021737.db2.gz LTLITDJBKHAMOQ-UHFFFAOYSA-N 1 0 433.600 3.841 20 0 IHADRO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ncccc2C[NH+]2CCCC2)C3)n1 ZINC001164959684 722027771 /nfs/dbraw/zinc/02/77/71/722027771.db2.gz ICNWFAUQUGUYDL-AZGAKELHSA-N 1 0 436.600 3.973 20 0 IHADRO Fc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964055 722055292 /nfs/dbraw/zinc/05/52/92/722055292.db2.gz RETFFMDRZMVXFS-UHFFFAOYSA-N 1 0 441.938 3.936 20 0 IHADRO COc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164963384 722059515 /nfs/dbraw/zinc/05/95/15/722059515.db2.gz YDBYJZTUWLMTFW-UHFFFAOYSA-N 1 0 445.567 3.666 20 0 IHADRO Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C ZINC001164962191 722061072 /nfs/dbraw/zinc/06/10/72/722061072.db2.gz PMDTXEQAUZYUPU-UHFFFAOYSA-N 1 0 444.583 3.669 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)nc1 ZINC001164974168 722090824 /nfs/dbraw/zinc/09/08/24/722090824.db2.gz NKPMCRMDUOPVED-CEMLEFRQSA-N 1 0 440.613 3.628 20 0 IHADRO Clc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164979359 722104188 /nfs/dbraw/zinc/10/41/88/722104188.db2.gz IFWNHMBYHODYKR-NFBKMPQASA-N 1 0 435.959 3.919 20 0 IHADRO Fc1cccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972411 722110137 /nfs/dbraw/zinc/11/01/37/722110137.db2.gz FDJJBQZGSSOIHJ-APWZRJJASA-N 1 0 427.911 3.545 20 0 IHADRO Clc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978313 722111181 /nfs/dbraw/zinc/11/11/81/722111181.db2.gz OKNKCYJZTPUXSX-FCHUYYIVSA-N 1 0 449.986 3.843 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977966 722137272 /nfs/dbraw/zinc/13/72/72/722137272.db2.gz IYFICSFXAGTSBC-AZUAARDMSA-N 1 0 440.979 3.788 20 0 IHADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979666 722137663 /nfs/dbraw/zinc/13/76/63/722137663.db2.gz LSDGEKKSBKTKQH-CTNGQTDRSA-N 1 0 439.560 3.551 20 0 IHADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983371 722142848 /nfs/dbraw/zinc/14/28/48/722142848.db2.gz USSITKPTZMIKJB-FXAWDEMLSA-N 1 0 449.933 3.675 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983274 722145952 /nfs/dbraw/zinc/14/59/52/722145952.db2.gz SXGIPLRESGPSRA-RCZVLFRGSA-N 1 0 429.568 3.883 20 0 IHADRO Fc1ccc(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164984203 722146608 /nfs/dbraw/zinc/14/66/08/722146608.db2.gz WJPACMMWSPHWGY-DENIHFKCSA-N 1 0 435.503 3.530 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164977094 722146981 /nfs/dbraw/zinc/14/69/81/722146981.db2.gz IROJPPLRCFYWOQ-ZCYQVOJMSA-N 1 0 429.568 3.828 20 0 IHADRO c1ccc(CSc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164985452 722149459 /nfs/dbraw/zinc/14/94/59/722149459.db2.gz ZNJRUWMAGVCANO-PKTZIBPZSA-N 1 0 447.608 3.891 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971653 722153390 /nfs/dbraw/zinc/15/33/90/722153390.db2.gz CNHGMVMJGSEIKN-UXHICEINSA-N 1 0 429.996 3.759 20 0 IHADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994938 722205251 /nfs/dbraw/zinc/20/52/51/722205251.db2.gz JVDGDJADSZEDMQ-VWLOTQADSA-N 1 0 440.563 3.943 20 0 IHADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998509 722213606 /nfs/dbraw/zinc/21/36/06/722213606.db2.gz WHCBRLLSXUCHBA-OYHNWAKOSA-N 1 0 432.927 3.791 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](OCCOC)[C@H]2Cc2cnn(C)c2)nc1 ZINC001164998743 722225222 /nfs/dbraw/zinc/22/52/22/722225222.db2.gz FECIZPKDHOXPBN-WXFUMESZSA-N 1 0 441.620 3.605 20 0 IHADRO Cc1cc2nc(Cl)c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2cc1C ZINC001165001812 722254879 /nfs/dbraw/zinc/25/48/79/722254879.db2.gz GIPGBPNTFLJLTF-UHFFFAOYSA-N 1 0 428.968 3.585 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC001176590027 1126150114 /nfs/dbraw/zinc/15/01/14/1126150114.db2.gz ZSOBVQHVSUPDKX-OAQYLSRUSA-N 1 0 442.313 3.927 20 0 IHADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c(Br)c1 ZINC001183419363 1126153327 /nfs/dbraw/zinc/15/33/27/1126153327.db2.gz NKNSXESFEHKQTQ-LJQANCHMSA-N 1 0 426.738 3.972 20 0 IHADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001203283594 1126158455 /nfs/dbraw/zinc/15/84/55/1126158455.db2.gz SWRUKNVAHIIHLD-OAQYLSRUSA-N 1 0 430.346 3.727 20 0 IHADRO COc1cccc(-c2csc(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)n2)c1 ZINC001203579063 1126158849 /nfs/dbraw/zinc/15/88/49/1126158849.db2.gz CXCQKYSQOUNWGE-QHCPKHFHSA-N 1 0 428.554 3.919 20 0 IHADRO Cc1sc2nc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)nc(N)c2c1C ZINC001307928582 1126162066 /nfs/dbraw/zinc/16/20/66/1126162066.db2.gz NGNKWMDJVPSYOB-FQEVSTJZSA-N 1 0 447.402 3.662 20 0 IHADRO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cs1 ZINC001473840394 1126200855 /nfs/dbraw/zinc/20/08/55/1126200855.db2.gz XCFXKZCUMTZLMR-HSZRJFAPSA-N 1 0 427.545 3.855 20 0 IHADRO OC[C@]1([NH2+]Cc2ccc(Br)cn2)CCc2cc(Br)ccc2C1 ZINC001560532718 1126211860 /nfs/dbraw/zinc/21/18/60/1126211860.db2.gz UBNVDDJRERENSE-KRWDZBQOSA-N 1 0 426.152 3.616 20 0 IHADRO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)cs2)cc1 ZINC001620625283 1126242340 /nfs/dbraw/zinc/24/23/40/1126242340.db2.gz PXFUXIGRHDMQNQ-HSZRJFAPSA-N 1 0 427.545 3.855 20 0 IHADRO FC(F)(F)[C@@H]1N(c2ncnc3c2CN(Cc2ccccc2)CC3)CCC12CC[NH2+]CC2 ZINC001164388939 718814219 /nfs/dbraw/zinc/81/42/19/718814219.db2.gz RQMSNSOOKCEADN-OAQYLSRUSA-N 1 0 431.506 3.546 20 0 IHADRO O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]12 ZINC001164401429 718859634 /nfs/dbraw/zinc/85/96/34/718859634.db2.gz DMCLLJHPAIFPCF-QZTJIDSGSA-N 1 0 430.886 3.829 20 0 IHADRO CCOC(=O)c1cnc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164413474 718879750 /nfs/dbraw/zinc/87/97/50/718879750.db2.gz IVLVTHWVHHGYBH-LLVKDONJSA-N 1 0 442.816 3.505 20 0 IHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164421880 718891999 /nfs/dbraw/zinc/89/19/99/718891999.db2.gz YZNORHCQEHDZFK-MRXNPFEDSA-N 1 0 428.911 3.600 20 0 IHADRO Fc1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164424700 718918033 /nfs/dbraw/zinc/91/80/33/718918033.db2.gz OLNGSURPCUNLAY-FQEVSTJZSA-N 1 0 441.881 3.671 20 0 IHADRO Cc1nc2c(n1-c1nc(CN3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CC[NH2+]CC2 ZINC001164430737 718949365 /nfs/dbraw/zinc/94/93/65/718949365.db2.gz XISRFZLZDSTKNS-OAHLLOKOSA-N 1 0 436.629 3.594 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164618234 719018601 /nfs/dbraw/zinc/01/86/01/719018601.db2.gz RINGAOUANAWJTE-BVGQSLNGSA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4[nH]cc(Cl)c43)CC2)CC1 ZINC001164619258 719021600 /nfs/dbraw/zinc/02/16/00/719021600.db2.gz UXYLNPMIDPWKDY-UHFFFAOYSA-N 1 0 426.348 3.509 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c(OC)cccc43)CC2)CC1 ZINC001164617531 719026659 /nfs/dbraw/zinc/02/66/59/719026659.db2.gz NVPXPPWZLPPHAC-UHFFFAOYSA-N 1 0 432.952 3.536 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c(Cl)nccc43)CC2)CC1 ZINC001164616335 719031291 /nfs/dbraw/zinc/03/12/91/719031291.db2.gz AWYJHLBSFXNKOF-UHFFFAOYSA-N 1 0 438.359 3.576 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(-c4ccccc4F)cc3C)CC2)CC1 ZINC001164616358 719034470 /nfs/dbraw/zinc/03/44/70/719034470.db2.gz AILCAJZUAZQERU-UHFFFAOYSA-N 1 0 426.536 3.835 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)nc(Cl)nc3C3CC3)CC2)CC1 ZINC001164617183 719035415 /nfs/dbraw/zinc/03/54/15/719035415.db2.gz JEJUJXLMYDEXCW-UHFFFAOYSA-N 1 0 427.376 3.905 20 0 IHADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164619336 719049002 /nfs/dbraw/zinc/04/90/02/719049002.db2.gz CRFCVXXPJNAOIV-OXJNMPFZSA-N 1 0 436.890 3.955 20 0 IHADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H](CF)[C@H](C5([NH3+])CC5)C3)n2)CCC4)CC1 ZINC001164625864 719122407 /nfs/dbraw/zinc/12/24/07/719122407.db2.gz ZFCQNUZYRIPPAE-SJLPKXTDSA-N 1 0 443.636 3.925 20 0 IHADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000508368889 719236596 /nfs/dbraw/zinc/23/65/96/719236596.db2.gz CXZLZKHPHILPGH-ZWKOTPCHSA-N 1 0 437.613 3.719 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1 ZINC001164656334 719328068 /nfs/dbraw/zinc/32/80/68/719328068.db2.gz XDGTXDSGZQQYBB-HSZRJFAPSA-N 1 0 447.587 3.994 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164668200 719442749 /nfs/dbraw/zinc/44/27/49/719442749.db2.gz IGVHHOASWFFYCU-ROUUACIJSA-N 1 0 438.622 3.992 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)nc1 ZINC001164684792 719599693 /nfs/dbraw/zinc/59/96/93/719599693.db2.gz JYVSMKBEKVUNJA-NZQKXSOJSA-N 1 0 432.572 3.940 20 0 IHADRO CCOc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680295 719664596 /nfs/dbraw/zinc/66/45/96/719664596.db2.gz FBNZIIQFBWEQSN-HXUWFJFHSA-N 1 0 436.600 3.574 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)nc3scc(-c4cccs4)c31)CC2 ZINC001164690313 719742075 /nfs/dbraw/zinc/74/20/75/719742075.db2.gz ZJDKOGQEGCZSOO-UHFFFAOYSA-N 1 0 441.626 3.909 20 0 IHADRO CCOc1ccc(C(=O)OC)c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691942 719810330 /nfs/dbraw/zinc/81/03/30/719810330.db2.gz BBRGQHFDRASNSF-UHFFFAOYSA-N 1 0 430.574 3.667 20 0 IHADRO CCOC(=O)c1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001164697675 719896449 /nfs/dbraw/zinc/89/64/49/719896449.db2.gz NCZWIJWHQNLRRP-UHFFFAOYSA-N 1 0 435.977 3.845 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164718544 720119036 /nfs/dbraw/zinc/11/90/36/720119036.db2.gz RYOPRGFHWGPARS-INIZCTEOSA-N 1 0 444.992 3.642 20 0 IHADRO CCOc1ccc2ncnc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2c1 ZINC001164715500 720121903 /nfs/dbraw/zinc/12/19/03/720121903.db2.gz GMEASQZQGMZRSN-NRFANRHFSA-N 1 0 447.583 3.931 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164809085 720133443 /nfs/dbraw/zinc/13/34/43/720133443.db2.gz GSJNRROOGXRAMP-GAJHUEQPSA-N 1 0 435.996 3.875 20 0 IHADRO CCc1nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c(Cl)nc1C ZINC001164715658 720156694 /nfs/dbraw/zinc/15/66/94/720156694.db2.gz VUXFBNTUJQCIRS-LJQANCHMSA-N 1 0 429.996 3.903 20 0 IHADRO CCc1nc2sc3c(c2c(N2CC[C@]4(C2)C[N@H+](CC2CC2)C[C@H]4COC)n1)CCC3 ZINC001164818433 720165243 /nfs/dbraw/zinc/16/52/43/720165243.db2.gz STISAXQEPPJEIS-BXKMTCNYSA-N 1 0 426.630 3.927 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164813020 720171593 /nfs/dbraw/zinc/17/15/93/720171593.db2.gz BOHHUOYNVLWSPF-YADARESESA-N 1 0 435.597 3.938 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164815603 720172889 /nfs/dbraw/zinc/17/28/89/720172889.db2.gz ILNQCPITAXCVRP-NTKDMRAZSA-N 1 0 447.023 3.592 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)C2 ZINC001164815068 720191821 /nfs/dbraw/zinc/19/18/21/720191821.db2.gz HTUBQTBQTQHXJG-XXBNENTESA-N 1 0 427.980 3.685 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c(Cl)cccc31)CCC2 ZINC001164812154 720220680 /nfs/dbraw/zinc/22/06/80/720220680.db2.gz FOVIRJAMLBUFIZ-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(-c3cccc(Cl)n3)n1)CCC2 ZINC001164814697 720223781 /nfs/dbraw/zinc/22/37/81/720223781.db2.gz VFVBKAZGAVONSH-UHFFFAOYSA-N 1 0 438.963 3.604 20 0 IHADRO Cc1ccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC001164827969 720314868 /nfs/dbraw/zinc/31/48/68/720314868.db2.gz YULBWHKLLRGKTQ-PMACEKPBSA-N 1 0 427.980 3.503 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164830077 720328558 /nfs/dbraw/zinc/32/85/58/720328558.db2.gz OMWVRBKJFGDYEG-NHCUHLMSSA-N 1 0 442.991 3.808 20 0 IHADRO Cc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164833329 720330061 /nfs/dbraw/zinc/33/00/61/720330061.db2.gz VXXPEVNDNPEGBI-RTBURBONSA-N 1 0 427.980 3.503 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829857 720334580 /nfs/dbraw/zinc/33/45/80/720334580.db2.gz OIGFSWKAZZOHGS-GOTSBHOMSA-N 1 0 425.621 3.744 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(Cl)nc2-c2ccccc2)CC1 ZINC001164822806 720343580 /nfs/dbraw/zinc/34/35/80/720343580.db2.gz FMYOPDFDYVNDIB-VQTJNVASSA-N 1 0 439.991 3.709 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)NC(C)C)[C@@H]3C2)nc1 ZINC001164824930 720424544 /nfs/dbraw/zinc/42/45/44/720424544.db2.gz MSSVAMFMZHFPCM-GSPCLOLRSA-N 1 0 428.621 3.632 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164728510 720503849 /nfs/dbraw/zinc/50/38/49/720503849.db2.gz GEBASNNSAGRBQJ-RQTOMXEWSA-N 1 0 435.572 3.648 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)C1 ZINC001164726712 720516735 /nfs/dbraw/zinc/51/67/35/720516735.db2.gz DCLPZSJQXZQDSI-LBPRGKRZSA-N 1 0 441.313 3.876 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)C1 ZINC001164731781 720529034 /nfs/dbraw/zinc/52/90/34/720529034.db2.gz AHVPTQXJQNJFEJ-OAHLLOKOSA-N 1 0 432.906 3.736 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)C1 ZINC001164736543 720531125 /nfs/dbraw/zinc/53/11/25/720531125.db2.gz ZIFFGCKNYOSLPW-ZDUSSCGKSA-N 1 0 435.334 3.984 20 0 IHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164733126 720544351 /nfs/dbraw/zinc/54/43/51/720544351.db2.gz ATDXRFHVGFWXLD-ZDUSSCGKSA-N 1 0 431.911 3.583 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(n3)-c3ccccc3CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836847 720582568 /nfs/dbraw/zinc/58/25/68/720582568.db2.gz HBELHDOFBYRTOA-WPFOTENUSA-N 1 0 428.584 3.817 20 0 IHADRO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836279 720614110 /nfs/dbraw/zinc/61/41/10/720614110.db2.gz FOPLVUJERITQEI-ZRCGQRJVSA-N 1 0 432.572 3.727 20 0 IHADRO COc1ccccc1-c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164844138 720614205 /nfs/dbraw/zinc/61/42/05/720614205.db2.gz YZNCWWSDPDOREO-TXTKFYIRSA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(F)c(-c4ccsc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840806 720640607 /nfs/dbraw/zinc/64/06/07/720640607.db2.gz QUEMCZUFRGQPMV-WSTZPKSXSA-N 1 0 426.565 3.919 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835980 720641054 /nfs/dbraw/zinc/64/10/54/720641054.db2.gz DHQLCWGPETZPIL-IRFCIJBXSA-N 1 0 437.979 3.766 20 0 IHADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840972 720663294 /nfs/dbraw/zinc/66/32/94/720663294.db2.gz OJSCVZMVYDAZCN-HRBBJJPOSA-N 1 0 435.568 3.918 20 0 IHADRO COC(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164837047 720663670 /nfs/dbraw/zinc/66/36/70/720663670.db2.gz AYAGXVAHPUEEMH-IBGZPJMESA-N 1 0 429.948 3.782 20 0 IHADRO COC(=O)c1cc(Cl)cnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838794 720665032 /nfs/dbraw/zinc/66/50/32/720665032.db2.gz HPYZWTGZQZIBAR-LJQANCHMSA-N 1 0 429.948 3.782 20 0 IHADRO COC(=O)c1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164844919 720688892 /nfs/dbraw/zinc/68/88/92/720688892.db2.gz WIMBHKOFZJRLCJ-GOSISDBHSA-N 1 0 429.948 3.782 20 0 IHADRO CC1CCN(c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)CC1 ZINC001164836953 720714057 /nfs/dbraw/zinc/71/40/57/720714057.db2.gz CBMGATFRWUZTQB-HSZRJFAPSA-N 1 0 435.616 3.973 20 0 IHADRO C[C@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncn2)C1 ZINC001164838285 720720582 /nfs/dbraw/zinc/72/05/82/720720582.db2.gz HTTDXJXMSIRJFP-GMAHTHKFSA-N 1 0 435.616 3.973 20 0 IHADRO FC(F)(c1ccnc(Cl)c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842572 720741487 /nfs/dbraw/zinc/74/14/87/720741487.db2.gz FVODVIHZNNQEPW-UHFFFAOYSA-N 1 0 430.890 3.637 20 0 IHADRO C[N@H+](Cc1ccc(N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)nc1)C1CC1 ZINC001164842484 720747174 /nfs/dbraw/zinc/74/71/74/720747174.db2.gz FKQQUNDTCMGLKZ-UHFFFAOYSA-N 1 0 447.608 3.668 20 0 IHADRO Fc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164745253 720755974 /nfs/dbraw/zinc/75/59/74/720755974.db2.gz UJLUQCXINDVLSO-MSOLQXFVSA-N 1 0 448.527 3.629 20 0 IHADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164737229 720765785 /nfs/dbraw/zinc/76/57/85/720765785.db2.gz BCULWHMLMMCIKL-WOJBJXKFSA-N 1 0 442.498 3.568 20 0 IHADRO Cc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164743344 720825499 /nfs/dbraw/zinc/82/54/99/720825499.db2.gz SIFLNMVXJWZPOX-LVCYWYKZSA-N 1 0 437.979 3.563 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738129 720829066 /nfs/dbraw/zinc/82/90/66/720829066.db2.gz DSPFUXLMLXYHBB-YOSAUDMPSA-N 1 0 432.572 3.523 20 0 IHADRO COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164846044 720829839 /nfs/dbraw/zinc/82/98/39/720829839.db2.gz CRWCIXBCWAVOPG-QUCCMNQESA-N 1 0 427.923 3.679 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749622 720846521 /nfs/dbraw/zinc/84/65/21/720846521.db2.gz WNQVHACVWOQCPG-IPMKNSEASA-N 1 0 444.027 3.707 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]2C1 ZINC001164857107 720850436 /nfs/dbraw/zinc/85/04/36/720850436.db2.gz XKKIRYJHNXHORG-LPHOPBHVSA-N 1 0 425.907 3.607 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164745182 720850485 /nfs/dbraw/zinc/85/04/85/720850485.db2.gz MKXNTOSARIHRJT-OTNCWRBYSA-N 1 0 443.599 3.731 20 0 IHADRO Fc1ccc(Cl)c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164745964 720856811 /nfs/dbraw/zinc/85/68/11/720856811.db2.gz DZXFWZJTIPWMID-CBGDNZLLSA-N 1 0 440.954 3.998 20 0 IHADRO Fc1ccc(Cl)c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164745973 720857111 /nfs/dbraw/zinc/85/71/11/720857111.db2.gz DZXFWZJTIPWMID-XGHQBKJUSA-N 1 0 440.954 3.998 20 0 IHADRO Cc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750150 720867497 /nfs/dbraw/zinc/86/74/97/720867497.db2.gz JBACNQIARMTGKU-REWPJTCUSA-N 1 0 427.980 3.589 20 0 IHADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749064 720867570 /nfs/dbraw/zinc/86/75/70/720867570.db2.gz GRACWHPBOKLLLQ-ATIYNZHBSA-N 1 0 448.615 3.509 20 0 IHADRO c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164751664 720868302 /nfs/dbraw/zinc/86/83/02/720868302.db2.gz LUYRBEJWLPUDIX-OZXSUGGESA-N 1 0 429.568 3.780 20 0 IHADRO Fc1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752986 720875485 /nfs/dbraw/zinc/87/54/85/720875485.db2.gz OBIQEANSWKWNME-QFQXNSOFSA-N 1 0 447.558 3.919 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4scc(-c5cccs5)c43)CC[C@@H]2C1 ZINC001164865266 720876301 /nfs/dbraw/zinc/87/63/01/720876301.db2.gz ZKLQZHGLJQGLKB-AEFFLSMTSA-N 1 0 444.626 3.902 20 0 IHADRO CC(C)(C)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757765 720884900 /nfs/dbraw/zinc/88/49/00/720884900.db2.gz VLJREPGPGPHUHT-NVQXNPDNSA-N 1 0 435.616 3.924 20 0 IHADRO COc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753201 720886100 /nfs/dbraw/zinc/88/61/00/720886100.db2.gz GCYLNCYKYCLMJD-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO COc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755379 720893664 /nfs/dbraw/zinc/89/36/64/720893664.db2.gz LRAMFAFSYZNHRH-GBXCKJPGSA-N 1 0 442.991 3.894 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)CCCC4)C3)c1 ZINC001164748452 720927293 /nfs/dbraw/zinc/92/72/93/720927293.db2.gz GDZTYBAHXAQPMM-OZXSUGGESA-N 1 0 433.600 3.506 20 0 IHADRO COc1cc2nc(Cl)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1OC ZINC001164861247 720947883 /nfs/dbraw/zinc/94/78/83/720947883.db2.gz SEWCMSFOPPYTHO-AWEZNQCLSA-N 1 0 444.967 3.918 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)[C@@H]2C ZINC001164856591 721007972 /nfs/dbraw/zinc/00/79/72/721007972.db2.gz BAUNRAANTZZXAN-YJYMSZOUSA-N 1 0 446.905 3.553 20 0 IHADRO CCn1nnc2c1CCN(c1ccc(C[N@H+](C)C3CC3)cn1)[C@H]2COCc1ccccc1 ZINC001164764002 721049282 /nfs/dbraw/zinc/04/92/82/721049282.db2.gz AHYPIKVKWHGSAH-QHCPKHFHSA-N 1 0 432.572 3.608 20 0 IHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866960 721080690 /nfs/dbraw/zinc/08/06/90/721080690.db2.gz VPFIKOMTCDZCJX-ROUUACIJSA-N 1 0 445.901 3.703 20 0 IHADRO Clc1cc(Cc2ccccc2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866179 721121859 /nfs/dbraw/zinc/12/18/59/721121859.db2.gz RQWZKYPDXUBWMG-FGZHOGPDSA-N 1 0 435.959 3.596 20 0 IHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164874491 721131733 /nfs/dbraw/zinc/13/17/33/721131733.db2.gz KCLLFFYYAXEYAG-JKSUJKDBSA-N 1 0 440.947 3.877 20 0 IHADRO c1ccc(-c2nsc3c2ncnc3N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881156 721149107 /nfs/dbraw/zinc/14/91/07/721149107.db2.gz ZLALVLCBUQOESA-UXHICEINSA-N 1 0 444.564 3.628 20 0 IHADRO CSc1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164772287 721151141 /nfs/dbraw/zinc/15/11/41/721151141.db2.gz VGAFTVPFWAZJPX-GJZGRUSLSA-N 1 0 427.952 3.694 20 0 IHADRO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164770863 721185176 /nfs/dbraw/zinc/18/51/76/721185176.db2.gz OYVVKKFGVRWNEZ-HUUCEWRRSA-N 1 0 427.952 3.694 20 0 IHADRO Cc1nc2sc3c(c2c(N2C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C2)n1)CCCCC3 ZINC001164762695 721202051 /nfs/dbraw/zinc/20/20/51/721202051.db2.gz DDKGXXMBMHLMKL-RTBURBONSA-N 1 0 436.629 3.960 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164762589 721222903 /nfs/dbraw/zinc/22/29/03/721222903.db2.gz CWMSIRPUTAKKCC-OALUTQOASA-N 1 0 447.568 3.552 20 0 IHADRO O=C(NC[C@H]1CCC[C@@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)O1)c1ccccc1 ZINC001164879259 721259887 /nfs/dbraw/zinc/25/98/87/721259887.db2.gz XMLNRJFJNTZTDL-BVAGGSTKSA-N 1 0 434.584 3.625 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4ccc(F)cc43)C2)C1 ZINC001164778185 721342891 /nfs/dbraw/zinc/34/28/91/721342891.db2.gz KCDAOLHEZJJEIQ-XMMPIXPASA-N 1 0 439.535 3.801 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(OC(C)(C)C)n3)C2)C1 ZINC001164778817 721354456 /nfs/dbraw/zinc/35/44/56/721354456.db2.gz OVAGHFMHLGMVQT-XMMPIXPASA-N 1 0 428.577 3.983 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4Cl)C3)O2)CC1 ZINC001164886277 721388160 /nfs/dbraw/zinc/38/81/60/721388160.db2.gz DZBBQKWKKHBLDW-BEFAXECRSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(Cl)cc(Cl)nc4Cl)C3)O2)CC1 ZINC001164889187 721396302 /nfs/dbraw/zinc/39/63/02/721396302.db2.gz KQPRPFGTFRAUPN-IFXJQAMLSA-N 1 0 433.811 3.807 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4c(Cl)ncc(Cl)c4Cl)C3)O2)CC1 ZINC001164887236 721414740 /nfs/dbraw/zinc/41/47/40/721414740.db2.gz LPQLFQWBPRJLAK-KUHUBIRLSA-N 1 0 433.811 3.807 20 0 IHADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2c(Cl)cccc12 ZINC001164889507 721426124 /nfs/dbraw/zinc/42/61/24/721426124.db2.gz BFCNAVCCTIGGMS-CYFREDJKSA-N 1 0 429.008 3.962 20 0 IHADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894918 721446229 /nfs/dbraw/zinc/44/62/29/721446229.db2.gz NGKLVZMZHCKOGZ-LTMIRXACSA-N 1 0 436.044 3.717 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)C3)O2)CC1 ZINC001164887724 721448385 /nfs/dbraw/zinc/44/83/85/721448385.db2.gz JYYDOKYNVDFKES-GBXCKJPGSA-N 1 0 448.055 3.943 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164789425 721455241 /nfs/dbraw/zinc/45/52/41/721455241.db2.gz VWTKYPXPIVIKPP-LJQANCHMSA-N 1 0 434.024 3.958 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164785560 721459988 /nfs/dbraw/zinc/45/99/88/721459988.db2.gz LWTVSFYSBCJDPH-RXVVDRJESA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(C)sc31)CC2 ZINC001164789335 721464593 /nfs/dbraw/zinc/46/45/93/721464593.db2.gz XBFXCFWILKGMLV-IBGZPJMESA-N 1 0 430.618 3.734 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164790119 721467824 /nfs/dbraw/zinc/46/78/24/721467824.db2.gz RBIJIIVZVDHZNF-FQEVSTJZSA-N 1 0 442.629 3.939 20 0 IHADRO CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21 ZINC001164895043 721468191 /nfs/dbraw/zinc/46/81/91/721468191.db2.gz ZIKAHLAXPIPNTL-LPHOPBHVSA-N 1 0 438.950 3.740 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164790095 721473536 /nfs/dbraw/zinc/47/35/36/721473536.db2.gz QVHNJLYYFALXMH-LJQANCHMSA-N 1 0 449.039 3.743 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164899486 721490551 /nfs/dbraw/zinc/49/05/51/721490551.db2.gz KQJLLZFAXYSWCC-RBBKRZOGSA-N 1 0 426.605 3.673 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164796745 721500993 /nfs/dbraw/zinc/50/09/93/721500993.db2.gz WSRIYFBULPIXQF-UHFFFAOYSA-N 1 0 447.921 3.779 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164897638 721502003 /nfs/dbraw/zinc/50/20/03/721502003.db2.gz NLDUJFMOTHXGRL-VXKWHMMOSA-N 1 0 428.621 3.776 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164796615 721503985 /nfs/dbraw/zinc/50/39/85/721503985.db2.gz UACGOBNPHZHJSS-LJQANCHMSA-N 1 0 443.979 3.574 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903446 721533338 /nfs/dbraw/zinc/53/33/38/721533338.db2.gz COVWBVKZHWUEOF-WBVHZDCISA-N 1 0 428.895 3.773 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908630 721535621 /nfs/dbraw/zinc/53/56/21/721535621.db2.gz PWAZMXWUTDJTCH-RDJZCZTQSA-N 1 0 428.895 3.773 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)CC[N@@H+]3C2)c1 ZINC001164902531 721539401 /nfs/dbraw/zinc/53/94/01/721539401.db2.gz AFHUVPGZDASEFY-GGAORHGYSA-N 1 0 443.526 3.961 20 0 IHADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906356 721539531 /nfs/dbraw/zinc/53/95/31/721539531.db2.gz KCDJRHVYGYKTHC-PKOBYXMFSA-N 1 0 446.954 3.744 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804496 721552788 /nfs/dbraw/zinc/55/27/88/721552788.db2.gz KBCUOZIOMXYVRC-BBTUJRGHSA-N 1 0 439.947 3.555 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807334 721556144 /nfs/dbraw/zinc/55/61/44/721556144.db2.gz SSBOIFLELHOAHW-RZUBCFFCSA-N 1 0 439.947 3.555 20 0 IHADRO COc1cc2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2cc1OC ZINC001164809926 721558531 /nfs/dbraw/zinc/55/85/31/721558531.db2.gz YHGIEGKZXKFDJO-DPLHUUCSSA-N 1 0 434.540 3.515 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CC[N@@H+]3C2)c1 ZINC001164907542 721565468 /nfs/dbraw/zinc/56/54/68/721565468.db2.gz OERYKYKLIJEZQH-MJGOQNOKSA-N 1 0 425.895 3.673 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164902541 721580864 /nfs/dbraw/zinc/58/08/64/721580864.db2.gz FZACCEXAROENQW-RCZVLFRGSA-N 1 0 436.604 3.684 20 0 IHADRO COC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903962 721584173 /nfs/dbraw/zinc/58/41/73/721584173.db2.gz PMNDEBVKZFGUTB-FQEVSTJZSA-N 1 0 436.890 3.654 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808081 721588427 /nfs/dbraw/zinc/58/84/27/721588427.db2.gz PVAARGCHZQMUPL-ZJOUEHCJSA-N 1 0 429.996 3.900 20 0 IHADRO CSc1nc(Cl)ncc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906195 721704178 /nfs/dbraw/zinc/70/41/78/721704178.db2.gz KVSGBYSNAMIWIA-SFHVURJKSA-N 1 0 425.936 3.985 20 0 IHADRO FC1(F)CCN(c2nnc(Cl)c3cccnc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904350 721704866 /nfs/dbraw/zinc/70/48/66/721704866.db2.gz CBWKETORZFOPMW-FQEVSTJZSA-N 1 0 430.890 3.811 20 0 IHADRO FC1(F)CCN(c2nccc(N3CCCCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906504 721714197 /nfs/dbraw/zinc/71/41/97/721714197.db2.gz MLKWSWVHVGDKHX-QFIPXVFZSA-N 1 0 428.531 3.600 20 0 IHADRO FC1(F)CCN(c2nccc(N3CCCCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906502 721714899 /nfs/dbraw/zinc/71/48/99/721714899.db2.gz MLKWSWVHVGDKHX-JOCHJYFZSA-N 1 0 428.531 3.600 20 0 IHADRO CCOC(=O)c1c(C)ccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907817 721717446 /nfs/dbraw/zinc/71/74/46/721717446.db2.gz UMBWYIJRJHLFSG-JOCHJYFZSA-N 1 0 430.499 3.699 20 0 IHADRO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccccn2)n1 ZINC001164904373 721722714 /nfs/dbraw/zinc/72/27/14/721722714.db2.gz CPPBXADMLWGSFA-QHCPKHFHSA-N 1 0 436.510 3.980 20 0 IHADRO C[NH+](C)Cc1ccnc(N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001164911859 721742339 /nfs/dbraw/zinc/74/23/39/721742339.db2.gz LOMNRDSGQMAZPX-BVAGGSTKSA-N 1 0 427.552 3.565 20 0 IHADRO O=C(c1ccco1)N1C[C@H]2CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@@H]2C1 ZINC001165015495 721769602 /nfs/dbraw/zinc/76/96/02/721769602.db2.gz LTIAUMFVMHLKQA-ISKFKSNPSA-N 1 0 442.563 3.974 20 0 IHADRO CCOC(=O)c1cnc(SC)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026915 721800202 /nfs/dbraw/zinc/80/02/02/721800202.db2.gz SIJDEKKHWDCRCV-VDGAXYAQSA-N 1 0 441.601 3.507 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)C[C@H]21 ZINC001165026343 721804696 /nfs/dbraw/zinc/80/46/96/721804696.db2.gz QUPWMBYMEKBIPB-MISYRCLQSA-N 1 0 438.576 3.956 20 0 IHADRO COC(=O)c1c(Cl)cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165027397 721821340 /nfs/dbraw/zinc/82/13/40/721821340.db2.gz SBQDTKCXZUGMPG-IEZWGBDMSA-N 1 0 444.963 3.662 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@@H]21 ZINC001165023960 721825259 /nfs/dbraw/zinc/82/52/59/721825259.db2.gz IXCYDPJRFMZCCK-BPQIPLTHSA-N 1 0 437.922 3.729 20 0 IHADRO CCOC(=O)/C=C/c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165022987 721842193 /nfs/dbraw/zinc/84/21/93/721842193.db2.gz VDOYDUMLRBADFT-ZRDIBKRKSA-N 1 0 439.556 3.776 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164924653 721858825 /nfs/dbraw/zinc/85/88/25/721858825.db2.gz COWXFXDWDPTDRJ-JKSUJKDBSA-N 1 0 430.330 3.696 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164929446 721861810 /nfs/dbraw/zinc/86/18/10/721861810.db2.gz QCBVZTYKAKNHIF-JKSUJKDBSA-N 1 0 446.329 3.576 20 0 IHADRO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CC[N@@H+]4CCN(C)C)n1)CCCC3 ZINC001164930925 721879319 /nfs/dbraw/zinc/87/93/19/721879319.db2.gz DJMNYONDOZMQFG-SJORKVTESA-N 1 0 431.675 3.648 20 0 IHADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929739 721884595 /nfs/dbraw/zinc/88/45/95/721884595.db2.gz CBZKTPYPYQCHBQ-FCHUYYIVSA-N 1 0 426.008 3.890 20 0 IHADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929750 721884659 /nfs/dbraw/zinc/88/46/59/721884659.db2.gz CBZKTPYPYQCHBQ-VXKWHMMOSA-N 1 0 426.008 3.890 20 0 IHADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1C ZINC001165038719 721918140 /nfs/dbraw/zinc/91/81/40/721918140.db2.gz PHLXRJJAZUWEEN-IBGZPJMESA-N 1 0 429.634 3.595 20 0 IHADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939672 721929545 /nfs/dbraw/zinc/92/95/45/721929545.db2.gz NYKVYHRZISAQDE-HJWRWDBZSA-N 1 0 435.568 3.756 20 0 IHADRO Clc1ncc2c(c1N1CCC3(C1)OCCO3)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001165047754 721985257 /nfs/dbraw/zinc/98/52/57/721985257.db2.gz OXENSXFBLWLCQU-UHFFFAOYSA-N 1 0 441.959 3.710 20 0 IHADRO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)no1 ZINC001164955686 722021759 /nfs/dbraw/zinc/02/17/59/722021759.db2.gz NEDITPJUWQGXAZ-UHFFFAOYSA-N 1 0 432.528 3.518 20 0 IHADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(-c4ccncc4)nc4c2CCC4)CC3)c1 ZINC001164962071 722023648 /nfs/dbraw/zinc/02/36/48/722023648.db2.gz PCHPOUQTSKUYJH-UHFFFAOYSA-N 1 0 426.568 3.915 20 0 IHADRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)n1 ZINC001164964787 722027027 /nfs/dbraw/zinc/02/70/27/722027027.db2.gz YJHNEZQJKVTHJC-RSXGOPAZSA-N 1 0 436.600 3.973 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@H]32)nc1 ZINC001164960980 722030063 /nfs/dbraw/zinc/03/00/63/722030063.db2.gz VHHYRKJTRIYUGC-FQOCKNPQSA-N 1 0 426.536 3.978 20 0 IHADRO Fc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958221 722052530 /nfs/dbraw/zinc/05/25/30/722052530.db2.gz DZURRYCAROZZJI-UHFFFAOYSA-N 1 0 440.897 3.933 20 0 IHADRO c1ccc(Oc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164959414 722053979 /nfs/dbraw/zinc/05/39/79/722053979.db2.gz IYVOGDCJFHATRC-UHFFFAOYSA-N 1 0 431.540 3.783 20 0 IHADRO Cc1nc(-c2ccccn2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C ZINC001164959952 722060710 /nfs/dbraw/zinc/06/07/10/722060710.db2.gz AEZQMRLHFLMKFA-UHFFFAOYSA-N 1 0 444.583 3.669 20 0 IHADRO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967645 722076532 /nfs/dbraw/zinc/07/65/32/722076532.db2.gz HOHPTWHZDRPGOS-KDURUIRLSA-N 1 0 436.581 3.804 20 0 IHADRO Clc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164979892 722104105 /nfs/dbraw/zinc/10/41/05/722104105.db2.gz IFWNHMBYHODYKR-NZQKXSOJSA-N 1 0 435.959 3.919 20 0 IHADRO c1[nH]c2ccccc2c1-c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981120 722114741 /nfs/dbraw/zinc/11/47/41/722114741.db2.gz SSNGWSQYNOMYHF-NBGIEHNGSA-N 1 0 440.551 3.747 20 0 IHADRO Fc1cccc(Oc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164985023 722131473 /nfs/dbraw/zinc/13/14/73/722131473.db2.gz YWWPWBLIUZNSSK-DENIHFKCSA-N 1 0 435.503 3.530 20 0 IHADRO Clc1cc(Cc2ccccc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982822 722133406 /nfs/dbraw/zinc/13/34/06/722133406.db2.gz SURPYVROJGEIQY-FYYLOGMGSA-N 1 0 449.986 3.843 20 0 IHADRO Fc1cccc(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164983886 722135262 /nfs/dbraw/zinc/13/52/62/722135262.db2.gz VYWZZSUHIJGZTR-DENIHFKCSA-N 1 0 435.503 3.530 20 0 IHADRO Clc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164982264 722147237 /nfs/dbraw/zinc/14/72/37/722147237.db2.gz RLQJBLPANDMYBG-LEWJYISDSA-N 1 0 435.959 3.919 20 0 IHADRO COC(=O)c1cc2c(OC)[nH]c(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc-2n1 ZINC001164995351 722198863 /nfs/dbraw/zinc/19/88/63/722198863.db2.gz UWPNNZFXAWVMOB-DEOSSOPVSA-N 1 0 438.503 3.742 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CCC2 ZINC001165003636 722257071 /nfs/dbraw/zinc/25/70/71/722257071.db2.gz FSDOARMLTXQJFT-UHFFFAOYSA-N 1 0 444.942 3.621 20 0 IHADRO COc1c(Br)cc(C[NH2+][C@H](CO)Cc2ccccc2)cc1Br ZINC000378867873 1126080068 /nfs/dbraw/zinc/08/00/68/1126080068.db2.gz GGMLTPBMLPMUJK-AWEZNQCLSA-N 1 0 429.152 3.913 20 0 IHADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2N)cc1 ZINC000467354102 1126094401 /nfs/dbraw/zinc/09/44/01/1126094401.db2.gz LNSLFEHHDSMXFY-HNNXBMFYSA-N 1 0 428.168 3.795 20 0 IHADRO COc1cc2c(cc1C[NH2+][C@]1(CO)CCc3cc(Br)ccc3C1)O[C@@H](C)C2 ZINC001179147920 1126151595 /nfs/dbraw/zinc/15/15/95/1126151595.db2.gz LIOUFOQEKASZQJ-RCDICMHDSA-N 1 0 432.358 3.791 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC001198219266 1126155119 /nfs/dbraw/zinc/15/51/19/1126155119.db2.gz NUPRUKJCADZYLG-QGZVFWFLSA-N 1 0 433.268 3.869 20 0 IHADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c2ncccc12 ZINC001198220219 1126155275 /nfs/dbraw/zinc/15/52/75/1126155275.db2.gz ZQSBPHPIYKFYBL-QFIPXVFZSA-N 1 0 443.341 3.867 20 0 IHADRO CCOc1cc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)cc(Br)c1OC ZINC001203581556 1126159027 /nfs/dbraw/zinc/15/90/27/1126159027.db2.gz OSLMOLHLZZOWDY-NRFANRHFSA-N 1 0 438.362 3.948 20 0 IHADRO COc1sc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)cc1Br ZINC001207459769 1126159842 /nfs/dbraw/zinc/15/98/42/1126159842.db2.gz ODZNNIJPIXPPGM-SFHVURJKSA-N 1 0 430.364 3.620 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)cc1OC ZINC001461736225 1126196948 /nfs/dbraw/zinc/19/69/48/1126196948.db2.gz QNNBJXILCUQDES-HSZRJFAPSA-N 1 0 429.948 3.935 20 0 IHADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)sc2C1 ZINC001474227119 1126203423 /nfs/dbraw/zinc/20/34/23/1126203423.db2.gz QNHIBUQPZWLPBG-QFIPXVFZSA-N 1 0 435.565 3.659 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC ZINC001560184631 1126209830 /nfs/dbraw/zinc/20/98/30/1126209830.db2.gz MYTYKCMKMOMNMO-QHCPKHFHSA-N 1 0 442.537 3.639 20 0 IHADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccccc3C(F)(F)F)c1)C2 ZINC001164405710 718854114 /nfs/dbraw/zinc/85/41/14/718854114.db2.gz MFLNHPMNFGCKSY-ACJLOTCBSA-N 1 0 447.835 3.984 20 0 IHADRO [NH3+][C@]12C[C@H]1CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1)C2 ZINC001164421040 718895766 /nfs/dbraw/zinc/89/57/66/718895766.db2.gz OZZAJRSUSHSRFH-XIKOKIGWSA-N 1 0 443.281 3.613 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164615917 719006846 /nfs/dbraw/zinc/00/68/46/719006846.db2.gz JQMHVJHOGOCPRP-LIRRHRJNSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164617844 719008724 /nfs/dbraw/zinc/00/87/24/719008724.db2.gz QEOAPFVUYRSZRT-KXBFYZLASA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164617417 719008813 /nfs/dbraw/zinc/00/88/13/719008813.db2.gz NZOFZJRMKXWCRR-AUUYWEPGSA-N 1 0 431.886 3.568 20 0 IHADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626211 719044660 /nfs/dbraw/zinc/04/46/60/719044660.db2.gz QZDMGMYJRRRJLK-UWJYYQICSA-N 1 0 433.934 3.859 20 0 IHADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164620576 719122318 /nfs/dbraw/zinc/12/23/18/719122318.db2.gz ILELBPKFVXOJBE-DOTOQJQBSA-N 1 0 429.609 3.679 20 0 IHADRO COc1ccc(-c2cc(C(F)(F)N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c(Cl)nn2)cc1 ZINC001164623008 719126155 /nfs/dbraw/zinc/12/61/55/719126155.db2.gz PXDARXZMOMEUGZ-CJNGLKHVSA-N 1 0 426.870 3.864 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164668198 719444201 /nfs/dbraw/zinc/44/42/01/719444201.db2.gz IGVHHOASWFFYCU-MSOLQXFVSA-N 1 0 438.622 3.992 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)nc1 ZINC001164677535 719545029 /nfs/dbraw/zinc/54/50/29/719545029.db2.gz FBLYXSKHTCYBKU-LUKWVAJMSA-N 1 0 426.605 3.625 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4ccccc4n3)CC2)c2ccccc21 ZINC001164680974 719658643 /nfs/dbraw/zinc/65/86/43/719658643.db2.gz KKKXYTRVBYLYLM-HXUWFJFHSA-N 1 0 443.595 3.723 20 0 IHADRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1Cl ZINC001164680678 719661298 /nfs/dbraw/zinc/66/12/98/719661298.db2.gz HIXJLOWQUVVROD-GOSISDBHSA-N 1 0 442.007 3.532 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4cccnc4n3)CC2)c2ccccc21 ZINC001164681919 719667024 /nfs/dbraw/zinc/66/70/24/719667024.db2.gz OKFQEUIUEPPULI-OAQYLSRUSA-N 1 0 443.595 3.723 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(F)c4cc[nH]c43)CC2)c2ccccc21 ZINC001164680855 719675093 /nfs/dbraw/zinc/67/50/93/719675093.db2.gz ICTGDLIBOWLUJM-SFHVURJKSA-N 1 0 449.574 3.795 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(C)s3)nc3ccccc31)CC2 ZINC001164690293 719745314 /nfs/dbraw/zinc/74/53/14/719745314.db2.gz YTYRQNJUDMECLQ-UHFFFAOYSA-N 1 0 435.597 3.848 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 ZINC001164801756 720051914 /nfs/dbraw/zinc/05/19/14/720051914.db2.gz GOVVNLCPZDGFQD-ARNLJNQMSA-N 1 0 439.604 3.670 20 0 IHADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1Cl ZINC001164810386 720091024 /nfs/dbraw/zinc/09/10/24/720091024.db2.gz LKFLRHIBODARRX-QVKFZJNVSA-N 1 0 442.387 3.750 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164709632 720104173 /nfs/dbraw/zinc/10/41/73/720104173.db2.gz BQBUNKBXURLCRY-IBGZPJMESA-N 1 0 442.007 3.911 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164718061 720111168 /nfs/dbraw/zinc/11/11/68/720111168.db2.gz RGHDLPLWXRZCAK-QGZVFWFLSA-N 1 0 446.020 3.681 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164717336 720115201 /nfs/dbraw/zinc/11/52/01/720115201.db2.gz NGFWDUXCIMLNMD-LJQANCHMSA-N 1 0 442.007 3.911 20 0 IHADRO CCOc1cc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2cc1OCC ZINC001164814935 720117918 /nfs/dbraw/zinc/11/79/18/720117918.db2.gz UOYHYGACYFPCKS-KBMIEXCESA-N 1 0 440.588 3.612 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164714903 720125208 /nfs/dbraw/zinc/12/52/08/720125208.db2.gz DWXMMCQGQZRMSQ-IBGZPJMESA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001164815531 720138179 /nfs/dbraw/zinc/13/81/79/720138179.db2.gz WIXSAJWNPSPPLF-OPAMFIHVSA-N 1 0 447.942 3.641 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)C2 ZINC001164816830 720155653 /nfs/dbraw/zinc/15/56/53/720155653.db2.gz NANJLZXTBXIDHJ-WNCULLNHSA-N 1 0 444.579 3.910 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164817438 720165311 /nfs/dbraw/zinc/16/53/11/720165311.db2.gz PJEYXRKFRZFOOP-HFZDXXHNSA-N 1 0 429.568 3.877 20 0 IHADRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc2cc(Cl)ccc12 ZINC001164714518 720189128 /nfs/dbraw/zinc/18/91/28/720189128.db2.gz GDAZYMATHLIXIO-NRFANRHFSA-N 1 0 440.979 3.541 20 0 IHADRO Cc1ccc2cc(Cl)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164714490 720190252 /nfs/dbraw/zinc/19/02/52/720190252.db2.gz FYHOVFYBACDIOT-HXUWFJFHSA-N 1 0 440.979 3.541 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164819053 720288662 /nfs/dbraw/zinc/28/86/62/720288662.db2.gz PEDBASAMPDQSAX-OALUTQOASA-N 1 0 427.618 3.726 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cc(Cl)c(Cl)cc32)CC1 ZINC001164830904 720330350 /nfs/dbraw/zinc/33/03/50/720330350.db2.gz QKZQHUMEJLCXMF-UXHICEINSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc3c(F)cccc23)CC1 ZINC001164831129 720353006 /nfs/dbraw/zinc/35/30/06/720353006.db2.gz XTNAGJAVFHELER-MOPGFXCFSA-N 1 0 430.955 3.939 20 0 IHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725468 720392402 /nfs/dbraw/zinc/39/24/02/720392402.db2.gz NOLJDHQGSKKBAK-PKTZIBPZSA-N 1 0 428.515 3.867 20 0 IHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164722581 720406641 /nfs/dbraw/zinc/40/66/41/720406641.db2.gz DNRVXJAHPQTPLW-QZTJIDSGSA-N 1 0 426.883 3.705 20 0 IHADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164727564 720434404 /nfs/dbraw/zinc/43/44/04/720434404.db2.gz DLSZXLFWXDTWLU-MSOLQXFVSA-N 1 0 437.569 3.733 20 0 IHADRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727026 720455482 /nfs/dbraw/zinc/45/54/82/720455482.db2.gz CTVYDPWSOMAHIL-YADHBBJMSA-N 1 0 429.524 3.553 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)CC[C@@H]21 ZINC001164837918 720508245 /nfs/dbraw/zinc/50/82/45/720508245.db2.gz QOYNYWKUEOFBRK-YCPHGPKFSA-N 1 0 434.375 3.839 20 0 IHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833661 720510993 /nfs/dbraw/zinc/51/09/93/720510993.db2.gz DLTDTJZTPMJSPJ-WSTZPKSXSA-N 1 0 445.995 3.794 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)C1 ZINC001164729276 720511022 /nfs/dbraw/zinc/51/10/22/720511022.db2.gz JKMDRNSKFZXBQD-LLVKDONJSA-N 1 0 425.751 3.985 20 0 IHADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164835391 720532483 /nfs/dbraw/zinc/53/24/83/720532483.db2.gz HAPNHHKFEMPVNJ-QNWVGRARSA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)ccc3F)CC[C@@H]21 ZINC001164835890 720540239 /nfs/dbraw/zinc/54/02/39/720540239.db2.gz IXRFFCWGALFQFP-ZOBUZTSGSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)ncc3F)CC[C@@H]21 ZINC001164836574 720541925 /nfs/dbraw/zinc/54/19/25/720541925.db2.gz KCFWHUYXHVHAJP-MPGHIAIKSA-N 1 0 427.902 3.993 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840665 720542291 /nfs/dbraw/zinc/54/22/91/720542291.db2.gz SMMBVVNLOZTVIK-JENIJYKNSA-N 1 0 440.979 3.866 20 0 IHADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836352 720569248 /nfs/dbraw/zinc/56/92/48/720569248.db2.gz JPTYXEBVAJRHAF-SXWKCWPCSA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(OCc4ccccc4)cn3)CC[C@@H]21 ZINC001164841499 720581368 /nfs/dbraw/zinc/58/13/68/720581368.db2.gz SJZSFJMFIHIDIM-VABKMULXSA-N 1 0 432.572 3.630 20 0 IHADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc21 ZINC001164837214 720628837 /nfs/dbraw/zinc/62/88/37/720628837.db2.gz HPUMSVYKCYNLIV-DNVFCKCGSA-N 1 0 433.556 3.596 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164842643 720664401 /nfs/dbraw/zinc/66/44/01/720664401.db2.gz SWJMSZANXCRWOC-QHCPKHFHSA-N 1 0 448.611 3.968 20 0 IHADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739306 720718805 /nfs/dbraw/zinc/71/88/05/720718805.db2.gz MYYDDOIIHUKNRY-CVEARBPZSA-N 1 0 431.874 3.565 20 0 IHADRO FC(F)(c1cccc(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164845204 720741912 /nfs/dbraw/zinc/74/19/12/720741912.db2.gz XBRXHNWKDBETGT-UHFFFAOYSA-N 1 0 430.890 3.637 20 0 IHADRO Cc1cccc2c(Cl)nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740198 720826946 /nfs/dbraw/zinc/82/69/46/720826946.db2.gz JLBSTYDDGRFPGZ-WSTZPKSXSA-N 1 0 437.979 3.563 20 0 IHADRO Cc1sc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164742046 720827409 /nfs/dbraw/zinc/82/74/09/720827409.db2.gz PCLNSXBXCZFZBW-HSALFYBXSA-N 1 0 437.617 3.587 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743085 720843605 /nfs/dbraw/zinc/84/36/05/720843605.db2.gz ILXYKQZDBMDIKP-WPFOTENUSA-N 1 0 435.620 3.804 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)CC[C@@H]2C1 ZINC001164853761 720845880 /nfs/dbraw/zinc/84/58/80/720845880.db2.gz PEDPFPHKWHVOLU-SJKOYZFVSA-N 1 0 445.778 3.764 20 0 IHADRO Clc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(-c2ccccc2)n1 ZINC001164751194 720851417 /nfs/dbraw/zinc/85/14/17/720851417.db2.gz QQTKMVOCTZZVMN-NJDAHSKKSA-N 1 0 449.990 3.768 20 0 IHADRO Clc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(-c2ccccc2)n1 ZINC001164751198 720851666 /nfs/dbraw/zinc/85/16/66/720851666.db2.gz QQTKMVOCTZZVMN-PWRODBHTSA-N 1 0 449.990 3.768 20 0 IHADRO CC(C)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164751905 720852056 /nfs/dbraw/zinc/85/20/56/720852056.db2.gz RONWGOLZDLUDCK-JAXLGGSGSA-N 1 0 437.636 3.868 20 0 IHADRO Fc1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1Cl ZINC001164750297 720856094 /nfs/dbraw/zinc/85/60/94/720856094.db2.gz PICLTINOISCLCK-NPPFBWRTSA-N 1 0 440.954 3.998 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743859 720857438 /nfs/dbraw/zinc/85/74/38/720857438.db2.gz AHHSXJGGQFLVTK-YOSAUDMPSA-N 1 0 447.562 3.562 20 0 IHADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccccc1F ZINC001164746107 720858407 /nfs/dbraw/zinc/85/84/07/720858407.db2.gz FQDZAIBBPMPXGC-ZRCGQRJVSA-N 1 0 447.562 3.562 20 0 IHADRO Cc1nc2ccoc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748006 720868882 /nfs/dbraw/zinc/86/88/82/720868882.db2.gz DIAHUYXREOBRJJ-PXDATVDWSA-N 1 0 433.556 3.681 20 0 IHADRO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747271 720870248 /nfs/dbraw/zinc/87/02/48/720870248.db2.gz BAMDWMCEINBWJW-NFBKMPQASA-N 1 0 427.980 3.589 20 0 IHADRO Fc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749906 720886331 /nfs/dbraw/zinc/88/63/31/720886331.db2.gz AWFKITNKFAOALG-LVXARBLLSA-N 1 0 447.558 3.919 20 0 IHADRO c1nc2c(ccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164755415 720893334 /nfs/dbraw/zinc/89/33/34/720893334.db2.gz LYYMKBUUHAWTKX-GBXCKJPGSA-N 1 0 435.597 3.841 20 0 IHADRO CC(C)(C)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164755130 720910408 /nfs/dbraw/zinc/91/04/08/720910408.db2.gz YPAZOPGAKZKRSU-ATIYNZHBSA-N 1 0 435.616 3.924 20 0 IHADRO CCc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755135 720919627 /nfs/dbraw/zinc/91/96/27/720919627.db2.gz YPZZREXWQWUWBW-HYBUGGRVSA-N 1 0 442.007 3.843 20 0 IHADRO CCc1cc(CC)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753731 720934559 /nfs/dbraw/zinc/93/45/59/720934559.db2.gz SJAFJTGBARLMBF-BKMJKUGQSA-N 1 0 435.616 3.752 20 0 IHADRO CCOC(=O)c1cc2c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)[nH]c(C)c(C)c-2n1 ZINC001164861828 720976065 /nfs/dbraw/zinc/97/60/65/720976065.db2.gz QWGBYVXFALQPIS-KRWDZBQOSA-N 1 0 438.576 3.974 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCc3ccccc31)[C@H]2C ZINC001164864111 721000847 /nfs/dbraw/zinc/00/08/47/721000847.db2.gz XMHLQNCARHEZAB-IBGZPJMESA-N 1 0 444.583 3.902 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)[C@@H]2C ZINC001164856576 721008282 /nfs/dbraw/zinc/00/82/82/721008282.db2.gz BAUNRAANTZZXAN-BFUOFWGJSA-N 1 0 446.905 3.553 20 0 IHADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865635 721107223 /nfs/dbraw/zinc/10/72/23/721107223.db2.gz NSZQITCZTLGEHD-OALUTQOASA-N 1 0 445.901 3.703 20 0 IHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164873654 721128188 /nfs/dbraw/zinc/12/81/88/721128188.db2.gz JUSRXNPEVMIITQ-SJORKVTESA-N 1 0 433.890 3.636 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164774008 721159085 /nfs/dbraw/zinc/15/90/85/721159085.db2.gz ZSDOAFGQAYPSEH-IAGOWNOFSA-N 1 0 432.906 3.520 20 0 IHADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868259 721187904 /nfs/dbraw/zinc/18/79/04/721187904.db2.gz LJLNTONEJKFBDT-HOTGVXAUSA-N 1 0 426.920 3.748 20 0 IHADRO FC(F)(N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164871765 721189683 /nfs/dbraw/zinc/18/96/83/721189683.db2.gz ZWYZDIDCLPQFQX-RBUKOAKNSA-N 1 0 434.918 3.730 20 0 IHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773410 721196916 /nfs/dbraw/zinc/19/69/16/721196916.db2.gz XDZAPVQIKXTWGW-BAGYTPMASA-N 1 0 445.615 3.700 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164762590 721222750 /nfs/dbraw/zinc/22/27/50/721222750.db2.gz CWMSIRPUTAKKCC-RBUKOAKNSA-N 1 0 447.568 3.552 20 0 IHADRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164870059 721224845 /nfs/dbraw/zinc/22/48/45/721224845.db2.gz DZANJFMNVHUPFX-IBGZPJMESA-N 1 0 445.007 3.952 20 0 IHADRO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764591 721238625 /nfs/dbraw/zinc/23/86/25/721238625.db2.gz OWNVMDJYUCBASE-RBUKOAKNSA-N 1 0 438.963 3.923 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164767987 721240076 /nfs/dbraw/zinc/24/00/76/721240076.db2.gz XITAEJDYVSUWMV-SJORKVTESA-N 1 0 442.926 3.753 20 0 IHADRO COc1ccc2ccc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164787053 721356795 /nfs/dbraw/zinc/35/67/95/721356795.db2.gz XVECTBKWUCTDOU-RUZDIDTESA-N 1 0 436.556 3.967 20 0 IHADRO COc1cccc2c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)cc(Cl)nc12 ZINC001164894086 721381140 /nfs/dbraw/zinc/38/11/40/721381140.db2.gz XMEZEPAIFKJQHQ-HOYKHHGWSA-N 1 0 445.007 3.662 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164886354 721384975 /nfs/dbraw/zinc/38/49/75/721384975.db2.gz FJLUIRCFPWPZSS-HNAYVOBHSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164892158 721385165 /nfs/dbraw/zinc/38/51/65/721385165.db2.gz RXWKOSYCRDBLCS-LPHOPBHVSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890534 721387954 /nfs/dbraw/zinc/38/79/54/721387954.db2.gz NYUSAMKXMNBXEL-BEFAXECRSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(C(C)(C)C)sc54)C3)O2)CC1 ZINC001164887251 721396662 /nfs/dbraw/zinc/39/66/62/721396662.db2.gz HISFKKZBRLEBFE-MHECFPHRSA-N 1 0 443.661 3.754 20 0 IHADRO COc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c2cc(Cl)ccc12 ZINC001164887696 721411731 /nfs/dbraw/zinc/41/17/31/721411731.db2.gz MJTPGRRSEDWHNL-NTKDMRAZSA-N 1 0 445.007 3.662 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nnc4-c4ccccc4)C3)O2)CC1 ZINC001164891143 721412337 /nfs/dbraw/zinc/41/23/37/721412337.db2.gz VHPOEFZOUCXSFM-YKSBVNFPSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5Cl)nn4)C3)O2)CC1 ZINC001164883484 721422971 /nfs/dbraw/zinc/42/29/71/721422971.db2.gz ACPDIHPFYXTDSO-DVECYGJZSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1ccc2cc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164890549 721423803 /nfs/dbraw/zinc/42/38/03/721423803.db2.gz SZNZJWOYTDNTCZ-HYBUGGRVSA-N 1 0 429.008 3.962 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)C3)O2)CC1 ZINC001164891783 721438026 /nfs/dbraw/zinc/43/80/26/721438026.db2.gz HKUVMRHIHOCZCG-XUZZJYLKSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164897998 721439015 /nfs/dbraw/zinc/43/90/15/721439015.db2.gz VIABOXNUOBDOJI-NVQXNPDNSA-N 1 0 435.616 3.526 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164785927 721455179 /nfs/dbraw/zinc/45/51/79/721455179.db2.gz IRRYPZXBRAQNJP-GHTZIAJQSA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164786753 721460039 /nfs/dbraw/zinc/46/00/39/721460039.db2.gz PHGBOUKXRKAIQQ-NQIIRXRSSA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164786692 721461382 /nfs/dbraw/zinc/46/13/82/721461382.db2.gz PDUTVQVGTFHLQZ-LJQANCHMSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164790616 721467042 /nfs/dbraw/zinc/46/70/42/721467042.db2.gz SHLRSRBTQHUVGL-XMMPIXPASA-N 1 0 436.600 3.878 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164788786 721467298 /nfs/dbraw/zinc/46/72/98/721467298.db2.gz KRPFDJMVUCGXSG-QHCPKHFHSA-N 1 0 436.600 3.878 20 0 IHADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791990 721495599 /nfs/dbraw/zinc/49/55/99/721495599.db2.gz IQYQRGHNXWEBED-UHFFFAOYSA-N 1 0 435.572 3.807 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CC[N@@H+]3C2)c1 ZINC001164897193 721526000 /nfs/dbraw/zinc/52/60/00/721526000.db2.gz FIWCRIZQKCXONP-HKUYNNGSSA-N 1 0 425.895 3.673 20 0 IHADRO COc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)c1 ZINC001164907294 721546346 /nfs/dbraw/zinc/54/63/46/721546346.db2.gz MWFPAXJNOMEYRC-AVRDEDQJSA-N 1 0 436.487 3.759 20 0 IHADRO CN(C)c1ccc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905821 721547378 /nfs/dbraw/zinc/54/73/78/721547378.db2.gz IPJQQQMTVUBOOV-FYYLOGMGSA-N 1 0 433.531 3.691 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCCC3)[C@@H]2CCCO[C@@H]12 ZINC001164805068 721550647 /nfs/dbraw/zinc/55/06/47/721550647.db2.gz KSHQBOVFGKYIKP-NJDAHSKKSA-N 1 0 427.980 3.662 20 0 IHADRO CCN(c1ccccc1)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncn1 ZINC001164807662 721586017 /nfs/dbraw/zinc/58/60/17/721586017.db2.gz PDPJUOCSVZTIGB-JCYRPKCISA-N 1 0 444.583 3.898 20 0 IHADRO COc1ccc2ncc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907427 721705401 /nfs/dbraw/zinc/70/54/01/721705401.db2.gz RYDDUWIHMTWRDL-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO Cc1noc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)n1 ZINC001164913865 721727055 /nfs/dbraw/zinc/72/70/55/721727055.db2.gz ZBLOSORGEWRGPP-OAQYLSRUSA-N 1 0 426.471 3.573 20 0 IHADRO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025114 721803526 /nfs/dbraw/zinc/80/35/26/721803526.db2.gz NPGLQHFDPVRXFB-HARLFGEKSA-N 1 0 431.540 3.548 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@H]21 ZINC001165023316 721807692 /nfs/dbraw/zinc/80/76/92/721807692.db2.gz JGNJUSYICMOVSN-DFQSSKMNSA-N 1 0 438.576 3.956 20 0 IHADRO CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165019890 721809115 /nfs/dbraw/zinc/80/91/15/721809115.db2.gz CBGIPHLMENGPNV-DWLFOUALSA-N 1 0 433.556 3.872 20 0 IHADRO COc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025978 721816626 /nfs/dbraw/zinc/81/66/26/721816626.db2.gz ORAZWHWDEXMTDF-KSEOMHKRSA-N 1 0 430.556 3.679 20 0 IHADRO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028205 721821264 /nfs/dbraw/zinc/82/12/64/721821264.db2.gz UVSQJMAYGWEYNN-QILLFSRXSA-N 1 0 437.922 3.815 20 0 IHADRO COC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c(Cl)c1 ZINC001165016423 721837897 /nfs/dbraw/zinc/83/78/97/721837897.db2.gz BFGUQGKISPELHY-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(N3CCCCC3)n2)CC1 ZINC001165021251 721842201 /nfs/dbraw/zinc/84/22/01/721842201.db2.gz JJDDPGGJLNKHHK-UHFFFAOYSA-N 1 0 425.577 3.585 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(N3CCCCC3)n2)CC1 ZINC001165023147 721842614 /nfs/dbraw/zinc/84/26/14/721842614.db2.gz XVOYPQAYTVMLLV-UHFFFAOYSA-N 1 0 425.577 3.585 20 0 IHADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929197 721878061 /nfs/dbraw/zinc/87/80/61/721878061.db2.gz AMEQEHKKJYYVLV-PMACEKPBSA-N 1 0 448.640 3.847 20 0 IHADRO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CC[N@@H+]4CCN(C)C)n1)CCCC3 ZINC001164930923 721879604 /nfs/dbraw/zinc/87/96/04/721879604.db2.gz DJMNYONDOZMQFG-IAGOWNOFSA-N 1 0 431.675 3.648 20 0 IHADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929754 721884755 /nfs/dbraw/zinc/88/47/55/721884755.db2.gz CBZKTPYPYQCHBQ-YADHBBJMSA-N 1 0 426.008 3.890 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@@H]3C2)nc1 ZINC001164931196 721897659 /nfs/dbraw/zinc/89/76/59/721897659.db2.gz DMPOGXSOIPYFGM-MZURWIMNSA-N 1 0 440.632 3.919 20 0 IHADRO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938366 721920183 /nfs/dbraw/zinc/92/01/83/721920183.db2.gz MGBYLRWTXHINCZ-UHFFFAOYSA-N 1 0 429.948 3.701 20 0 IHADRO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1C ZINC001164940242 721930194 /nfs/dbraw/zinc/93/01/94/721930194.db2.gz UBHXNFDNAVKOJE-UHFFFAOYSA-N 1 0 440.979 3.505 20 0 IHADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044784 721954769 /nfs/dbraw/zinc/95/47/69/721954769.db2.gz PPVJFTDMRUSQHQ-UHFFFAOYSA-N 1 0 448.958 3.729 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)nc1 ZINC001164948303 721962212 /nfs/dbraw/zinc/96/22/12/721962212.db2.gz SVMCNSRSKQFDFE-WXFUMESZSA-N 1 0 439.604 3.713 20 0 IHADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc21 ZINC001165049789 721974561 /nfs/dbraw/zinc/97/45/61/721974561.db2.gz RHUFNBWDFXMCOM-FQEVSTJZSA-N 1 0 439.585 3.513 20 0 IHADRO c1ccc(CC[NH+]2CCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC2)nc1 ZINC001165056019 722019537 /nfs/dbraw/zinc/01/95/37/722019537.db2.gz UNRYUOSJVLLSDT-UHFFFAOYSA-N 1 0 428.584 3.894 20 0 IHADRO Clc1ccc(CN2CCCC2)c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)n1 ZINC001164958888 722051192 /nfs/dbraw/zinc/05/11/92/722051192.db2.gz HLRKVPPKXBGTSB-KPLVRAHFSA-N 1 0 427.980 3.631 20 0 IHADRO c1ccc(COc2cncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164958814 722054153 /nfs/dbraw/zinc/05/41/53/722054153.db2.gz GUWPCBPQLVCFPM-UHFFFAOYSA-N 1 0 445.567 3.570 20 0 IHADRO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)s1 ZINC001164963212 722056895 /nfs/dbraw/zinc/05/68/95/722056895.db2.gz IQCPIYXSJNASQC-UHFFFAOYSA-N 1 0 444.992 3.562 20 0 IHADRO CC(C)(C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960657 722058858 /nfs/dbraw/zinc/05/88/58/722058858.db2.gz GDKOOSASWMPECO-UHFFFAOYSA-N 1 0 434.588 3.769 20 0 IHADRO COc1cc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2cc1F ZINC001164964673 722061792 /nfs/dbraw/zinc/06/17/92/722061792.db2.gz HSTLCCNUPNBPOQ-UHFFFAOYSA-N 1 0 436.531 3.897 20 0 IHADRO Clc1cc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)ccn1 ZINC001164986560 722107219 /nfs/dbraw/zinc/10/72/19/722107219.db2.gz ZHJGNTFBTZTLPW-FGZHOGPDSA-N 1 0 435.959 3.919 20 0 IHADRO Fc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972413 722110158 /nfs/dbraw/zinc/11/01/58/722110158.db2.gz FDJJBQZGSSOIHJ-QFBILLFUSA-N 1 0 427.911 3.545 20 0 IHADRO Clc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978316 722111068 /nfs/dbraw/zinc/11/10/68/722111068.db2.gz OKNKCYJZTPUXSX-FGZHOGPDSA-N 1 0 449.986 3.843 20 0 IHADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCCCC2 ZINC001164976657 722113370 /nfs/dbraw/zinc/11/33/70/722113370.db2.gz MAYVNGBLVUVWHL-GHTZIAJQSA-N 1 0 427.980 3.521 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983669 722129292 /nfs/dbraw/zinc/12/92/92/722129292.db2.gz YZQXXQCVLPPNEY-DENIHFKCSA-N 1 0 429.524 3.807 20 0 IHADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982188 722135488 /nfs/dbraw/zinc/13/54/88/722135488.db2.gz RIMKNBJCUFJTFL-JXFKEZNVSA-N 1 0 427.911 3.545 20 0 IHADRO Clc1cccc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164984964 722144881 /nfs/dbraw/zinc/14/48/81/722144881.db2.gz YMBDYVNLJIMDNJ-REWPJTCUSA-N 1 0 435.959 3.919 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164977093 722147069 /nfs/dbraw/zinc/14/70/69/722147069.db2.gz IROJPPLRCFYWOQ-UKILVPOCSA-N 1 0 429.568 3.828 20 0 IHADRO Fc1cccc(F)c1-c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973103 722147083 /nfs/dbraw/zinc/14/70/83/722147083.db2.gz AYAHOKARESBWEU-PGRDOPGGSA-N 1 0 437.494 3.544 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971649 722153589 /nfs/dbraw/zinc/15/35/89/722153589.db2.gz CNHGMVMJGSEIKN-PMACEKPBSA-N 1 0 429.996 3.759 20 0 IHADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972574 722156259 /nfs/dbraw/zinc/15/62/59/722156259.db2.gz INBNXMCXPFFSKZ-AEFFLSMTSA-N 1 0 440.947 3.995 20 0 IHADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975297 722159024 /nfs/dbraw/zinc/15/90/24/722159024.db2.gz RPQGSBXPHICOFZ-UTKZUKDTSA-N 1 0 448.945 3.891 20 0 IHADRO CC(=O)N1CC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)c2cc(C)ccc21 ZINC001164987710 722189656 /nfs/dbraw/zinc/18/96/56/722189656.db2.gz AILSIRDJOCTMHO-UHFFFAOYSA-N 1 0 434.584 3.769 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c(Cl)cccc31)CCC2 ZINC001164999830 722252840 /nfs/dbraw/zinc/25/28/40/722252840.db2.gz GOHYBQCJYKVVQO-UHFFFAOYSA-N 1 0 435.359 3.622 20 0 IHADRO Cc1cccc(Sc2cncc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)c1 ZINC001165002330 722255400 /nfs/dbraw/zinc/25/54/00/722255400.db2.gz NSRJIOZVXYYWQP-UHFFFAOYSA-N 1 0 438.601 3.621 20 0 IHADRO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)CC3)cs1 ZINC001165006989 722273130 /nfs/dbraw/zinc/27/31/30/722273130.db2.gz SHYZFPRZPXTTQR-NRFANRHFSA-N 1 0 428.602 3.785 20 0 IHADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000470262221 1126094737 /nfs/dbraw/zinc/09/47/37/1126094737.db2.gz BYWJVPKZECQDGL-CQSZACIVSA-N 1 0 432.131 3.626 20 0 IHADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@H](CO)Cc3c[nH]c4ccccc34)sc2C1 ZINC001200422457 1126156028 /nfs/dbraw/zinc/15/60/28/1126156028.db2.gz BIENJCOMKFKJQF-INIZCTEOSA-N 1 0 442.585 3.611 20 0 IHADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001308119323 1126164329 /nfs/dbraw/zinc/16/43/29/1126164329.db2.gz ZUSHIRRBJJLOCS-LJQANCHMSA-N 1 0 426.738 3.972 20 0 IHADRO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cc12 ZINC001308465450 1126166245 /nfs/dbraw/zinc/16/62/45/1126166245.db2.gz WRTCDDNFPHFIJM-HXUWFJFHSA-N 1 0 449.780 3.702 20 0 IHADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H](CO)Cc2ccc(O)cc2)cc1Br ZINC001308688181 1126168321 /nfs/dbraw/zinc/16/83/21/1126168321.db2.gz VHAPAKJBWYEBLW-XJKSGUPXSA-N 1 0 442.325 3.669 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)cc1OC ZINC001461736230 1126196968 /nfs/dbraw/zinc/19/69/68/1126196968.db2.gz QNNBJXILCUQDES-QHCPKHFHSA-N 1 0 429.948 3.935 20 0 IHADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@H](CO)Cc2ccccc2)cc1Br ZINC001474116388 1126201881 /nfs/dbraw/zinc/20/18/81/1126201881.db2.gz SBBWCHYVGUANDR-YOEHRIQHSA-N 1 0 426.326 3.963 20 0 IHADRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001560532531 1126211859 /nfs/dbraw/zinc/21/18/59/1126211859.db2.gz MQPBQNKHSRMPJR-QFIPXVFZSA-N 1 0 426.358 3.953 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccnc(-c3ccc(Br)cc3)n2)cc1 ZINC001620623915 1126241398 /nfs/dbraw/zinc/24/13/98/1126241398.db2.gz KGNAEZCXOWRDKD-JOCHJYFZSA-N 1 0 442.357 3.998 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ncc(Br)cc1F ZINC001620623942 1126241460 /nfs/dbraw/zinc/24/14/60/1126241460.db2.gz KSOLDZBZHQTSPQ-MRXNPFEDSA-N 1 0 432.131 3.829 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)cc1OC ZINC001621057592 1126245515 /nfs/dbraw/zinc/24/55/15/1126245515.db2.gz KWTZBENPJBXXGH-HSZRJFAPSA-N 1 0 429.948 3.685 20 0 IHADRO FC(F)(F)[C@@H]1N(C(F)(F)Cc2nc3c(ncnc3Cl)s2)CCC12CC[NH2+]CC2 ZINC001164388904 718816209 /nfs/dbraw/zinc/81/62/09/718816209.db2.gz RMJGMOPJTVCXTC-CYBMUJFWSA-N 1 0 441.857 3.881 20 0 IHADRO COc1cc(Oc2ccnc(N3CCN4CC[NH2+]C[C@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164402227 718837503 /nfs/dbraw/zinc/83/75/03/718837503.db2.gz DGLGJUFUYFDCED-NRFANRHFSA-N 1 0 446.551 3.555 20 0 IHADRO Cc1sc2nc(-c3ccccn3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164404007 718839989 /nfs/dbraw/zinc/83/99/89/718839989.db2.gz KVVQZJSHMMCWOD-LJQANCHMSA-N 1 0 442.592 3.823 20 0 IHADRO CCOC(=O)c1cnc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164413477 718879845 /nfs/dbraw/zinc/87/98/45/718879845.db2.gz IVLVTHWVHHGYBH-NSHDSACASA-N 1 0 442.816 3.505 20 0 IHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164413178 718880835 /nfs/dbraw/zinc/88/08/35/718880835.db2.gz CSKZMGPZNVWSTR-GFCCVEGCSA-N 1 0 427.801 3.720 20 0 IHADRO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164426214 718919801 /nfs/dbraw/zinc/91/98/01/718919801.db2.gz YIBSUZGOLRKSOH-FQEVSTJZSA-N 1 0 429.939 3.913 20 0 IHADRO Cc1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164424292 718920027 /nfs/dbraw/zinc/92/00/27/718920027.db2.gz MVWTZKOIVGAWLS-NRFANRHFSA-N 1 0 437.918 3.841 20 0 IHADRO Cc1nc2c(n1-c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)CC[NH2+]CC2 ZINC001164431039 718949301 /nfs/dbraw/zinc/94/93/01/718949301.db2.gz ZOZABIBEHNIKSI-UHFFFAOYSA-N 1 0 436.629 3.738 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C)nc(Cl)c1)C2 ZINC001164619688 719007250 /nfs/dbraw/zinc/00/72/50/719007250.db2.gz WTULNNTYJUAWFW-JXFKEZNVSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(C)c(Cl)n1)C2 ZINC001164614169 719009328 /nfs/dbraw/zinc/00/93/28/719009328.db2.gz DFLKOJZNYLATGI-YWZLYKJASA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164615374 719018327 /nfs/dbraw/zinc/01/83/27/719018327.db2.gz IMLAQEBBGJYITJ-UUWFMWQGSA-N 1 0 439.865 3.816 20 0 IHADRO c1ccc(CN2CCc3c(ncnc3N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001164625393 719045970 /nfs/dbraw/zinc/04/59/70/719045970.db2.gz PLQQZWZTTRTIBU-SHQCIBLASA-N 1 0 425.580 3.618 20 0 IHADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623313 719050320 /nfs/dbraw/zinc/05/03/20/719050320.db2.gz MQZSWBRCAFUHGX-LIRRHRJNSA-N 1 0 435.931 3.954 20 0 IHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC001164625960 719095644 /nfs/dbraw/zinc/09/56/44/719095644.db2.gz HTCUYUNGPNPJRF-LPHOPBHVSA-N 1 0 439.947 3.509 20 0 IHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164637179 719237731 /nfs/dbraw/zinc/23/77/31/719237731.db2.gz UMISKNYKRVDHMJ-HZPDHXFCSA-N 1 0 445.633 3.691 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](N3CCCC3=O)C2)nc1 ZINC001164649743 719305799 /nfs/dbraw/zinc/30/57/99/719305799.db2.gz XPDOHRVDCCWERL-MTQWNXOMSA-N 1 0 426.605 3.625 20 0 IHADRO CC(C)N(C)Cc1nn(-c2cnc(Cl)nc2Oc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164680552 719640423 /nfs/dbraw/zinc/64/04/23/719640423.db2.gz VTIYMHBSYNPXEH-UHFFFAOYSA-N 1 0 430.915 3.733 20 0 IHADRO CC(C)N(C)Cc1nn([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)c2c1CC[NH2+]C2 ZINC001164680227 719644844 /nfs/dbraw/zinc/64/48/44/719644844.db2.gz SOSFXEBQMRUJQX-JOCHJYFZSA-N 1 0 444.942 3.984 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4sccc43)CC2)c2ccccc21 ZINC001164681375 719655629 /nfs/dbraw/zinc/65/56/29/719655629.db2.gz MXTBSWOSLYTXGQ-GOSISDBHSA-N 1 0 449.624 3.785 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(F)cc3Cl)CC2)c2ccccc21 ZINC001164685186 719664492 /nfs/dbraw/zinc/66/44/92/719664492.db2.gz YLKYDLBURSUTQA-KRWDZBQOSA-N 1 0 444.982 3.968 20 0 IHADRO CC(C)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164681868 719664562 /nfs/dbraw/zinc/66/45/62/719664562.db2.gz NUWHAGKTYMLVLM-FQEVSTJZSA-N 1 0 435.616 3.693 20 0 IHADRO COC(=O)c1cccc2nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)ncc21 ZINC001164691991 719806653 /nfs/dbraw/zinc/80/66/53/719806653.db2.gz DRMMTKRBWHQIAO-UHFFFAOYSA-N 1 0 437.569 3.816 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164710298 720099260 /nfs/dbraw/zinc/09/92/60/720099260.db2.gz IIMLWWDLPSFNSE-IBGZPJMESA-N 1 0 427.980 3.910 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccoc31)CC2 ZINC001164711518 720101624 /nfs/dbraw/zinc/10/16/24/720101624.db2.gz QGVKADQANRVHSU-QGZVFWFLSA-N 1 0 427.936 3.779 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164711590 720102812 /nfs/dbraw/zinc/10/28/12/720102812.db2.gz RFBRVWJPODOWRM-SFHVURJKSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(OC)cc31)CC2 ZINC001164710686 720104710 /nfs/dbraw/zinc/10/47/10/720104710.db2.gz LCCZPFJKWBDQDB-FQEVSTJZSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164716941 720125223 /nfs/dbraw/zinc/12/52/23/720125223.db2.gz LYSYNUZNZIVTPU-OAQYLSRUSA-N 1 0 447.583 3.849 20 0 IHADRO C=Cc1nc(Cl)nc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1OC ZINC001164711301 720138529 /nfs/dbraw/zinc/13/85/29/720138529.db2.gz HDKPNRHUAGKUTM-GOSISDBHSA-N 1 0 443.979 3.684 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccncc3)n1)CC2 ZINC001164712707 720138870 /nfs/dbraw/zinc/13/88/70/720138870.db2.gz ONKQTZNRJMHAOV-HSZRJFAPSA-N 1 0 444.583 3.750 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164711236 720141498 /nfs/dbraw/zinc/14/14/98/720141498.db2.gz GHYVTHAHWPUCMP-JOCHJYFZSA-N 1 0 444.583 3.750 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164710842 720148439 /nfs/dbraw/zinc/14/84/39/720148439.db2.gz DSFMDGSMKUWLRR-DEOSSOPVSA-N 1 0 443.595 3.970 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164817113 720149104 /nfs/dbraw/zinc/14/91/04/720149104.db2.gz OAKSETJFAMRIRG-HYBUGGRVSA-N 1 0 426.992 3.906 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164818368 720153881 /nfs/dbraw/zinc/15/38/81/720153881.db2.gz SLNIGSINRMCRIT-KBXCAEBGSA-N 1 0 435.346 3.599 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)C2 ZINC001164816832 720154578 /nfs/dbraw/zinc/15/45/78/720154578.db2.gz NANJLZXTBXIDHJ-YIXXDRMTSA-N 1 0 444.579 3.910 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164818163 720166326 /nfs/dbraw/zinc/16/63/26/720166326.db2.gz RYHVNFPQNJFCDN-FNZWTVRRSA-N 1 0 429.568 3.877 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)C2 ZINC001164812998 720191615 /nfs/dbraw/zinc/19/16/15/720191615.db2.gz BJEIMSPNZGHBPP-CPJSRVTESA-N 1 0 438.572 3.771 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc3c(Cl)ccnc31)CCC2 ZINC001164812698 720222706 /nfs/dbraw/zinc/22/27/06/720222706.db2.gz IISGYTLHEOVUBS-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(C3CCCCC3)n1)CCC2 ZINC001164816770 720245316 /nfs/dbraw/zinc/24/53/16/720245316.db2.gz MKXYJQPDYUDMJC-UHFFFAOYSA-N 1 0 445.011 3.985 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164819055 720288264 /nfs/dbraw/zinc/28/82/64/720288264.db2.gz PEDBASAMPDQSAX-RBUKOAKNSA-N 1 0 427.618 3.726 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3ccc(Cl)cc32)CC1 ZINC001164817282 720288342 /nfs/dbraw/zinc/28/83/42/720288342.db2.gz CCKVFRCUSPJJRT-OALUTQOASA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(-c3cccc(Cl)n3)n2)CC1 ZINC001164829481 720319004 /nfs/dbraw/zinc/31/90/04/720319004.db2.gz MRQBMCFFSJCTRO-RTWAWAEBSA-N 1 0 439.991 3.709 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827728 720319709 /nfs/dbraw/zinc/31/97/09/720319709.db2.gz HYHBPWGNXLFELU-WOJBJXKFSA-N 1 0 427.980 3.503 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164830079 720328594 /nfs/dbraw/zinc/32/85/94/720328594.db2.gz OMWVRBKJFGDYEG-RTWAWAEBSA-N 1 0 442.991 3.808 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164828379 720344807 /nfs/dbraw/zinc/34/48/07/720344807.db2.gz ONUXKWLVJBLOEI-DNQXCXABSA-N 1 0 433.600 3.618 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(C(F)F)nc3ccc(F)cc32)CC1 ZINC001164826538 720350077 /nfs/dbraw/zinc/35/00/77/720350077.db2.gz KGTXWKHQBZPQKW-MOPGFXCFSA-N 1 0 447.505 3.618 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3c(Cl)cccc3nc2Cl)CC1 ZINC001164830023 720350859 /nfs/dbraw/zinc/35/08/59/720350859.db2.gz USVGMSFEBULHLO-ROUUACIJSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822874 720351492 /nfs/dbraw/zinc/35/14/92/720351492.db2.gz FZWZIDVZWAUQMP-XZOQPEGZSA-N 1 0 437.563 3.503 20 0 IHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164730267 720427862 /nfs/dbraw/zinc/42/78/62/720427862.db2.gz JDQKWXHBKRPKCX-PMACEKPBSA-N 1 0 437.931 3.708 20 0 IHADRO COc1ccc(-c2nc3ccc(F)cc3c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)n2)cc1 ZINC001164727001 720510364 /nfs/dbraw/zinc/51/03/64/720510364.db2.gz AMVSTPOVXUOSNA-KRWDZBQOSA-N 1 0 446.530 3.839 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840012 720510299 /nfs/dbraw/zinc/51/02/99/720510299.db2.gz VTMUZNKMJIRCMY-OFQRWUPVSA-N 1 0 445.345 3.903 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(OCc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834337 720519237 /nfs/dbraw/zinc/51/92/37/720519237.db2.gz FPKXAMXIAQPWLT-XPWALMASSA-N 1 0 432.572 3.630 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)C1 ZINC001164735216 720523874 /nfs/dbraw/zinc/52/38/74/720523874.db2.gz WPQWGVRWEIAOPO-MRXNPFEDSA-N 1 0 434.494 3.970 20 0 IHADRO Cc1sc2nc(-c3cccnc3)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164731765 720524498 /nfs/dbraw/zinc/52/44/98/720524498.db2.gz AGMXMVZMGOJRTK-KRWDZBQOSA-N 1 0 433.585 3.765 20 0 IHADRO Cc1sc2nc(-c3cccnc3)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1C ZINC001164731771 720524626 /nfs/dbraw/zinc/52/46/26/720524626.db2.gz AGMXMVZMGOJRTK-QGZVFWFLSA-N 1 0 433.585 3.765 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)Oc3cccc(Cl)n3)CC[C@@H]21 ZINC001164837926 720524857 /nfs/dbraw/zinc/52/48/57/720524857.db2.gz QQJSWUSABSRNDZ-IKGGRYGDSA-N 1 0 425.911 3.734 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)C1 ZINC001164734545 720524994 /nfs/dbraw/zinc/52/49/94/720524994.db2.gz QCICBAABHWQTDG-HNNXBMFYSA-N 1 0 432.906 3.736 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)C1 ZINC001164733103 720529660 /nfs/dbraw/zinc/52/96/60/720529660.db2.gz ISVHHHOESJVWDY-CQSZACIVSA-N 1 0 428.993 3.742 20 0 IHADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842402 720540046 /nfs/dbraw/zinc/54/00/46/720540046.db2.gz XCJYTVQSFVTIJW-JFIYKMOQSA-N 1 0 439.938 3.863 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836579 720542111 /nfs/dbraw/zinc/54/21/11/720542111.db2.gz KCFWHUYXHVHAJP-RVKKMQEKSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)(C)N(c1ncnc2c1CCN(Cc1ccccc1)C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164735802 720544767 /nfs/dbraw/zinc/54/47/67/720544767.db2.gz RMHQABYXGJUWKK-OAQYLSRUSA-N 1 0 435.616 3.551 20 0 IHADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164733160 720547686 /nfs/dbraw/zinc/54/76/86/720547686.db2.gz BNBRLICNNCPRFY-CQSZACIVSA-N 1 0 446.926 3.888 20 0 IHADRO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2n1 ZINC001164840648 720553147 /nfs/dbraw/zinc/55/31/47/720553147.db2.gz SJYNFRFGIMXHFI-ZHALLVOQSA-N 1 0 440.979 3.866 20 0 IHADRO COc1cc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1OC ZINC001164838951 720561864 /nfs/dbraw/zinc/56/18/64/720561864.db2.gz OYKSYHLPKMBJIW-JAXLGGSGSA-N 1 0 435.572 3.826 20 0 IHADRO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164836366 720574805 /nfs/dbraw/zinc/57/48/05/720574805.db2.gz JRQLDPKIRBSADP-SXWKCWPCSA-N 1 0 448.571 3.852 20 0 IHADRO 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COc1cc(OC)c2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164839881 720727509 /nfs/dbraw/zinc/72/75/09/720727509.db2.gz NZFMGGQUIPNLOQ-FQEVSTJZSA-N 1 0 448.567 3.907 20 0 IHADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739041 720737524 /nfs/dbraw/zinc/73/75/24/720737524.db2.gz HXFUOBKAFGJRQA-LSDHHAIUSA-N 1 0 431.874 3.565 20 0 IHADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746804 720821981 /nfs/dbraw/zinc/82/19/81/720821981.db2.gz ZDPSVQMGVOEAQY-WSTZPKSXSA-N 1 0 437.979 3.563 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccsc2n1 ZINC001164742680 720822666 /nfs/dbraw/zinc/82/26/66/720822666.db2.gz QMFOTJAKHKXXLO-LZLYRXPVSA-N 1 0 428.993 3.921 20 0 IHADRO Cc1cccc2c(Cl)nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740191 720826781 /nfs/dbraw/zinc/82/67/81/720826781.db2.gz JLBSTYDDGRFPGZ-CMKODMSKSA-N 1 0 437.979 3.563 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(-c2ccccc2)nn1 ZINC001164737695 720829114 /nfs/dbraw/zinc/82/91/14/720829114.db2.gz CBRLPLPETBOGFI-PCCBWWKXSA-N 1 0 449.990 3.768 20 0 IHADRO Fc1cc2ccc(Cl)nc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164739184 720829692 /nfs/dbraw/zinc/82/96/92/720829692.db2.gz HNGSJTICZMAHHS-YSIASYRMSA-N 1 0 440.954 3.998 20 0 IHADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739261 720830341 /nfs/dbraw/zinc/83/03/41/720830341.db2.gz HWSFNHUKLBEZPD-TUNNFDKTSA-N 1 0 449.990 3.768 20 0 IHADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749747 720856530 /nfs/dbraw/zinc/85/65/30/720856530.db2.gz OEVUKFPGHIZQLH-JOCLIGHLSA-N 1 0 444.027 3.923 20 0 IHADRO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747648 720860993 /nfs/dbraw/zinc/86/09/93/720860993.db2.gz IWVWKPXIOQOEQH-CMKODMSKSA-N 1 0 440.954 3.998 20 0 IHADRO Clc1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752355 720872428 /nfs/dbraw/zinc/87/24/28/720872428.db2.gz MQAQKCVWULJMCQ-GCJKJVERSA-N 1 0 448.398 3.934 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)CC[C@@H]2C1 ZINC001164855931 720886603 /nfs/dbraw/zinc/88/66/03/720886603.db2.gz IDUGGEQCBLRRPF-OFNKIYASSA-N 1 0 445.007 3.511 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4cccnc4n2)C3)c1 ZINC001164756926 720886947 /nfs/dbraw/zinc/88/69/47/720886947.db2.gz SGTPERRTHYFANI-BVAGGSTKSA-N 1 0 429.568 3.780 20 0 IHADRO Cc1[nH]c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164753978 720891663 /nfs/dbraw/zinc/89/16/63/720891663.db2.gz HZZNKGIJWKYTHQ-BKMJKUGQSA-N 1 0 446.599 3.725 20 0 IHADRO Cc1cnc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755990 720892722 /nfs/dbraw/zinc/89/27/22/720892722.db2.gz NYJPVVRVSAANHH-NFBKMPQASA-N 1 0 427.980 3.589 20 0 IHADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)c1Cl ZINC001164755617 720895307 /nfs/dbraw/zinc/89/53/07/720895307.db2.gz MFCKEAJBNHAULY-QPPBQGQZSA-N 1 0 442.007 3.897 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccc4cnccc42)C3)c1 ZINC001164758087 720897383 /nfs/dbraw/zinc/89/73/83/720897383.db2.gz WODBDASAOKMIDM-BVAGGSTKSA-N 1 0 429.568 3.780 20 0 IHADRO c1c[nH]c(-c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)n1 ZINC001164754370 720899448 /nfs/dbraw/zinc/89/94/48/720899448.db2.gz IPRKOEKUMJOPOS-BVAGGSTKSA-N 1 0 444.583 3.622 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc(C4CCC4)ncn2)C3)c1 ZINC001164747426 720927261 /nfs/dbraw/zinc/92/72/61/720927261.db2.gz DEDJWTKZLUPZLV-JYFHCDHNSA-N 1 0 433.600 3.894 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccnc2OC2CCC2)C3)c1 ZINC001164753799 720929657 /nfs/dbraw/zinc/92/96/57/720929657.db2.gz TUUNJZIQUUEBQN-ATIYNZHBSA-N 1 0 449.599 3.558 20 0 IHADRO 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c1ccc(CSc2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164871555 721167091 /nfs/dbraw/zinc/16/70/91/721167091.db2.gz FGRSZTUIXAKXNV-VXKWHMMOSA-N 1 0 433.581 3.644 20 0 IHADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164877632 721182853 /nfs/dbraw/zinc/18/28/53/721182853.db2.gz PHCLYMAJELBOKU-LSDHHAIUSA-N 1 0 445.297 3.688 20 0 IHADRO CCN1C(=O)[C@]2(CC[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]32)N=C1C ZINC001164872884 721227980 /nfs/dbraw/zinc/22/79/80/721227980.db2.gz OWDROBHRDPHSFA-JEYPMZLKSA-N 1 0 443.595 3.505 20 0 IHADRO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164764673 721238293 /nfs/dbraw/zinc/23/82/93/721238293.db2.gz PKADUFNFRGINIK-OALUTQOASA-N 1 0 438.963 3.923 20 0 IHADRO O=C(NC[C@H]1CCC[C@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)O1)c1ccccc1 ZINC001164878742 721258923 /nfs/dbraw/zinc/25/89/23/721258923.db2.gz VEWBSPJCSNWWDQ-ZEQKJWHPSA-N 1 0 434.584 3.625 20 0 IHADRO O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)O1)c1ccccc1 ZINC001164878741 721259149 /nfs/dbraw/zinc/25/91/49/721259149.db2.gz VEWBSPJCSNWWDQ-OZXSUGGESA-N 1 0 434.584 3.625 20 0 IHADRO c1ccc(COCc2cncc3c2CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)nc1 ZINC001164765398 721270327 /nfs/dbraw/zinc/27/03/27/721270327.db2.gz KUMHQQQEFKSQGW-UHFFFAOYSA-N 1 0 445.567 3.626 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164779048 721343205 /nfs/dbraw/zinc/34/32/05/721343205.db2.gz POAGXYCIZRABLS-HSZRJFAPSA-N 1 0 430.980 3.948 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164893581 721387018 /nfs/dbraw/zinc/38/70/18/721387018.db2.gz VJVHVNRLKNDMHR-VQIMIIECSA-N 1 0 449.373 3.699 20 0 IHADRO COc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c2cc(Cl)ccc12 ZINC001164887695 721411826 /nfs/dbraw/zinc/41/18/26/721411826.db2.gz MJTPGRRSEDWHNL-DVECYGJZSA-N 1 0 445.007 3.662 20 0 IHADRO Cc1ccc(F)c2cc(C)c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc12 ZINC001164891978 721421106 /nfs/dbraw/zinc/42/11/06/721421106.db2.gz XMMIKNWVBJNSLM-NBGIEHNGSA-N 1 0 426.580 3.756 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892339 721432216 /nfs/dbraw/zinc/43/22/16/721432216.db2.gz IELJWKUQDGFKHM-FQRUVTKNSA-N 1 0 443.680 3.837 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164787768 721454099 /nfs/dbraw/zinc/45/40/99/721454099.db2.gz QGBVEELYVZORSM-LJQANCHMSA-N 1 0 449.039 3.743 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164785930 721455114 /nfs/dbraw/zinc/45/51/14/721455114.db2.gz IRRYPZXBRAQNJP-WIYYLYMNSA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(OCC(C)C)n1)CC2 ZINC001164784453 721464087 /nfs/dbraw/zinc/46/40/87/721464087.db2.gz IBVKMGMSXZFCCA-JOCHJYFZSA-N 1 0 431.621 3.850 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164788133 721470541 /nfs/dbraw/zinc/47/05/41/721470541.db2.gz IGIYWSVFNQLZOC-QFIPXVFZSA-N 1 0 438.616 3.981 20 0 IHADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792567 721489666 /nfs/dbraw/zinc/48/96/66/721489666.db2.gz KUWQXPPEZHAMBH-UHFFFAOYSA-N 1 0 429.952 3.583 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CC[N@@H+]3C2)c1 ZINC001164897204 721525811 /nfs/dbraw/zinc/52/58/11/721525811.db2.gz FIWCRIZQKCXONP-PKOBYXMFSA-N 1 0 425.895 3.673 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164908315 721548973 /nfs/dbraw/zinc/54/89/73/721548973.db2.gz PSZUXYAPSOKFOH-UKRRQHHQSA-N 1 0 447.288 3.895 20 0 IHADRO Cc1nc(C)c(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)s1 ZINC001164903595 721562139 /nfs/dbraw/zinc/56/21/39/721562139.db2.gz CWSXVIKLUDOFCG-HKUYNNGSSA-N 1 0 425.533 3.698 20 0 IHADRO FC(F)(c1cc(Cl)ncn1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905064 721582633 /nfs/dbraw/zinc/58/26/33/721582633.db2.gz RXLYZMSHNYMUME-KRWDZBQOSA-N 1 0 429.849 3.808 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801131 721589419 /nfs/dbraw/zinc/58/94/19/721589419.db2.gz DRYCUHBKOJHUBW-UFYCRDLUSA-N 1 0 427.980 3.969 20 0 IHADRO C[NH+](C)Cc1ccnc(N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)c1 ZINC001164803845 721605716 /nfs/dbraw/zinc/60/57/16/721605716.db2.gz WNZNEVIMMPNJLU-QFIPXVFZSA-N 1 0 427.936 3.551 20 0 IHADRO COc1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908366 721693213 /nfs/dbraw/zinc/69/32/13/721693213.db2.gz YOAUPBJWSLCXCL-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1C ZINC001164904159 721708739 /nfs/dbraw/zinc/70/87/39/721708739.db2.gz AIQPFZPBOVBHCQ-JOCHJYFZSA-N 1 0 430.499 3.699 20 0 IHADRO COC(=O)/C=C/c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904358 721717488 /nfs/dbraw/zinc/71/74/88/721717488.db2.gz CGNDNICNAYLQRP-BMOUEYTDSA-N 1 0 442.510 3.709 20 0 IHADRO CC(C)OC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912593 721734428 /nfs/dbraw/zinc/73/44/28/721734428.db2.gz OCYZNHQOWCDTEQ-JOCHJYFZSA-N 1 0 430.499 3.780 20 0 IHADRO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024260 721811545 /nfs/dbraw/zinc/81/15/45/721811545.db2.gz KDDCSOWOZAMWFT-VJBMBRPKSA-N 1 0 445.567 3.938 20 0 IHADRO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026032 721814058 /nfs/dbraw/zinc/81/40/58/721814058.db2.gz OVYXBJCFBPJFJJ-PWIZWCRZSA-N 1 0 443.979 3.500 20 0 IHADRO COc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c(OC)c1 ZINC001165029644 721815012 /nfs/dbraw/zinc/81/50/12/721815012.db2.gz ZWRUZLRXUQQTJM-XJABCFGWSA-N 1 0 433.556 3.779 20 0 IHADRO COC(=O)c1c(Cl)cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165027410 721821065 /nfs/dbraw/zinc/82/10/65/721821065.db2.gz SBQDTKCXZUGMPG-WDYCEAGBSA-N 1 0 444.963 3.662 20 0 IHADRO COC(=O)c1c(Cl)cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165027401 721821383 /nfs/dbraw/zinc/82/13/83/721821383.db2.gz SBQDTKCXZUGMPG-KVSKMBFKSA-N 1 0 444.963 3.662 20 0 IHADRO COC(=O)c1cnc(Cl)cc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165019232 721837629 /nfs/dbraw/zinc/83/76/29/721837629.db2.gz ANLCBMUFXKCYOX-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)nc(-c3ccccn3)n2)CC1 ZINC001165023045 721843326 /nfs/dbraw/zinc/84/33/26/721843326.db2.gz WNEHRBHJQSQSJL-UHFFFAOYSA-N 1 0 433.556 3.965 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164926162 721854238 /nfs/dbraw/zinc/85/42/38/721854238.db2.gz HSTLFOWPCVDTIB-JKSUJKDBSA-N 1 0 430.330 3.696 20 0 IHADRO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939564 721920911 /nfs/dbraw/zinc/92/09/11/721920911.db2.gz USYYGIZARZZNSH-UHFFFAOYSA-N 1 0 429.948 3.701 20 0 IHADRO COC(=O)c1c(Cl)ccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938245 721922088 /nfs/dbraw/zinc/92/20/88/721922088.db2.gz JZYICXDYFPVLEJ-UHFFFAOYSA-N 1 0 429.948 3.701 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C(=O)NC(C)(C)C)ccn4)CC3)C2)cc1 ZINC001164938639 721929118 /nfs/dbraw/zinc/92/91/18/721929118.db2.gz CCKGQOIAFMJZRC-UHFFFAOYSA-N 1 0 436.600 3.790 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCC[C@H](C)C5)ncn4)CC3)C2)cc1 ZINC001164938631 721932716 /nfs/dbraw/zinc/93/27/16/721932716.db2.gz BYGQAYDHOFICCC-QFIPXVFZSA-N 1 0 435.616 3.893 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc[n+]([O-])c(Cl)c4)CC3)C2)cc1 ZINC001164942819 721933673 /nfs/dbraw/zinc/93/36/73/721933673.db2.gz NBHGMBZHKGMDKK-UHFFFAOYSA-N 1 0 437.918 3.698 20 0 IHADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001165044282 721957158 /nfs/dbraw/zinc/95/71/58/721957158.db2.gz KVVDPEGLVYNIJN-UHFFFAOYSA-N 1 0 431.515 3.820 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC001165052518 721999553 /nfs/dbraw/zinc/99/95/53/721999553.db2.gz SPJRJBALOXGINW-HNNXBMFYSA-N 1 0 426.512 3.825 20 0 IHADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956043 722020782 /nfs/dbraw/zinc/02/07/82/722020782.db2.gz VAISRCQOXBQUTB-UHFFFAOYSA-N 1 0 425.936 3.851 20 0 IHADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(-c4cccnc4)nc4c2CCC4)CC3)c1 ZINC001164958060 722023218 /nfs/dbraw/zinc/02/32/18/722023218.db2.gz FEQMKVCWLQVLGH-UHFFFAOYSA-N 1 0 426.568 3.915 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)nc1 ZINC001164956137 722035104 /nfs/dbraw/zinc/03/51/04/722035104.db2.gz CCZNAGQRSAARLJ-ZEVJAHDQSA-N 1 0 433.600 3.946 20 0 IHADRO CCOc1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164964509 722056913 /nfs/dbraw/zinc/05/69/13/722056913.db2.gz VHMFXFMISBQMIG-UHFFFAOYSA-N 1 0 433.556 3.543 20 0 IHADRO COc1cc2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2cc1OC ZINC001164964077 722057148 /nfs/dbraw/zinc/05/71/48/722057148.db2.gz RGJUXEHQNAZSKM-UHFFFAOYSA-N 1 0 448.567 3.766 20 0 IHADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966397 722062123 /nfs/dbraw/zinc/06/21/23/722062123.db2.gz SAXFIGCHOCTDFU-UHFFFAOYSA-N 1 0 436.387 3.860 20 0 IHADRO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164963644 722064356 /nfs/dbraw/zinc/06/43/56/722064356.db2.gz BVMWIXMQTGKHOE-GOTSBHOMSA-N 1 0 445.592 3.590 20 0 IHADRO c1[nH]c2ccccc2c1-c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981122 722114371 /nfs/dbraw/zinc/11/43/71/722114371.db2.gz SSNGWSQYNOMYHF-NLFFAJNJSA-N 1 0 440.551 3.747 20 0 IHADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)C1 ZINC001164978213 722115494 /nfs/dbraw/zinc/11/54/94/722115494.db2.gz NVSOQPZQFJSOOP-YFVAEKQCSA-N 1 0 449.624 3.938 20 0 IHADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)C1 ZINC001164978211 722115688 /nfs/dbraw/zinc/11/56/88/722115688.db2.gz NVSOQPZQFJSOOP-SLYNCCJLSA-N 1 0 449.624 3.938 20 0 IHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974384 722134794 /nfs/dbraw/zinc/13/47/94/722134794.db2.gz DMCZWNMMXHZSSR-QZTJIDSGSA-N 1 0 447.917 3.884 20 0 IHADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982194 722135970 /nfs/dbraw/zinc/13/59/70/722135970.db2.gz RIMKNBJCUFJTFL-OXJNMPFZSA-N 1 0 427.911 3.545 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971712 722154172 /nfs/dbraw/zinc/15/41/72/722154172.db2.gz DIUWGJXHQILCEF-XUZZJYLKSA-N 1 0 433.531 3.713 20 0 IHADRO FC(F)(N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975271 722157261 /nfs/dbraw/zinc/15/72/61/722157261.db2.gz QSBKRLHQQIJHCI-ICSRJNTNSA-N 1 0 448.945 3.977 20 0 IHADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993614 722198209 /nfs/dbraw/zinc/19/82/09/722198209.db2.gz FNYDKUKPNKYCDD-QFIPXVFZSA-N 1 0 432.927 3.620 20 0 IHADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)C3)c1 ZINC001164995035 722212782 /nfs/dbraw/zinc/21/27/82/722212782.db2.gz FNQMGOXROQDTOI-GCJKJVERSA-N 1 0 432.927 3.682 20 0 IHADRO COc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1Br ZINC000318068505 1126079643 /nfs/dbraw/zinc/07/96/43/1126079643.db2.gz GGMLTPBMLPMUJK-CQSZACIVSA-N 1 0 429.152 3.913 20 0 IHADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000470262220 1126094731 /nfs/dbraw/zinc/09/47/31/1126094731.db2.gz BYWJVPKZECQDGL-AWEZNQCLSA-N 1 0 432.131 3.626 20 0 IHADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cnc2ccc(Br)cn12)C(F)(F)F ZINC000608057683 1126100612 /nfs/dbraw/zinc/10/06/12/1126100612.db2.gz ZFEJBMVSJYKCAN-DOTOQJQBSA-N 1 0 428.252 3.721 20 0 IHADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001175686223 1126148961 /nfs/dbraw/zinc/14/89/61/1126148961.db2.gz CSDPFZKXBRHJBE-SFTDATJTSA-N 1 0 432.442 3.834 20 0 IHADRO COc1cc2c(cc1C[NH2+][C@@]1(CO)CCc3cc(Br)ccc3C1)O[C@@H](C)C2 ZINC001179147906 1126151532 /nfs/dbraw/zinc/15/15/32/1126151532.db2.gz LIOUFOQEKASZQJ-FPTDNZKUSA-N 1 0 432.358 3.791 20 0 IHADRO Cc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)ncc1Br ZINC001203283855 1126158387 /nfs/dbraw/zinc/15/83/87/1126158387.db2.gz WFFAEPVXHRYFIS-QGZVFWFLSA-N 1 0 428.168 3.998 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC001308514641 1126167776 /nfs/dbraw/zinc/16/77/76/1126167776.db2.gz VSYDVCAHKNCCFK-NRFANRHFSA-N 1 0 430.346 3.931 20 0 IHADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c(F)ccc(I)c1F ZINC001461201730 1126193706 /nfs/dbraw/zinc/19/37/06/1126193706.db2.gz GHFKQCSHGSOLTC-GFCCVEGCSA-N 1 0 442.247 3.744 20 0 IHADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1C ZINC001474169500 1126202337 /nfs/dbraw/zinc/20/23/37/1126202337.db2.gz JMWOTDCHQKFMTI-SFHVURJKSA-N 1 0 431.602 3.746 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)cc1OC ZINC001621057593 1126245488 /nfs/dbraw/zinc/24/54/88/1126245488.db2.gz KWTZBENPJBXXGH-QHCPKHFHSA-N 1 0 429.948 3.685 20 0 IHADRO COc1ccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)cs2)cc1 ZINC001621057588 1126245521 /nfs/dbraw/zinc/24/55/21/1126245521.db2.gz KTLLROZTOWMVER-HSZRJFAPSA-N 1 0 428.554 3.919 20 0 IHADRO CCn1c(Br)c(Br)nc1C[NH2+][C@H](CO)Cc1ccc(C)c(C)c1 ZINC001620960192 1126244180 /nfs/dbraw/zinc/24/41/80/1126244180.db2.gz YYJPGQYUZBENNM-AWEZNQCLSA-N 1 0 445.199 3.738 20 0 IHADRO COc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000038309272 563097354 /nfs/dbraw/zinc/09/73/54/563097354.db2.gz WLSUHIWUCZVUGX-KRWDZBQOSA-N 1 0 425.447 3.997 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1Cl ZINC001164386955 718814292 /nfs/dbraw/zinc/81/42/92/718814292.db2.gz CIGMTIHPDCMNNO-AWEZNQCLSA-N 1 0 427.801 3.577 20 0 IHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001164388477 718814635 /nfs/dbraw/zinc/81/46/35/718814635.db2.gz OJUCWSQZPIRECR-CQSZACIVSA-N 1 0 427.801 3.577 20 0 IHADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164389144 718826498 /nfs/dbraw/zinc/82/64/98/718826498.db2.gz GVUFBUZYEQNDMZ-HOCLYGCPSA-N 1 0 448.823 3.928 20 0 IHADRO c1sc2nc(-c3cccnc3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164405068 718839608 /nfs/dbraw/zinc/83/96/08/718839608.db2.gz OVQWBXYOJCTQFL-LJQANCHMSA-N 1 0 428.565 3.514 20 0 IHADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164400082 718844062 /nfs/dbraw/zinc/84/40/62/718844062.db2.gz PACVBCPOMXVBPJ-HNNXBMFYSA-N 1 0 429.902 3.589 20 0 IHADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)C2 ZINC001164401558 718854481 /nfs/dbraw/zinc/85/44/81/718854481.db2.gz BOXAWMNJOBESOV-SPLOXXLWSA-N 1 0 430.886 3.513 20 0 IHADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)c2ccccc21 ZINC001164400908 718863276 /nfs/dbraw/zinc/86/32/76/718863276.db2.gz AUTUPGDHSMTZKD-KUHUBIRLSA-N 1 0 447.917 3.648 20 0 IHADRO C[N@H+](Cc1ccc(N2CCO[C@H](c3ncn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416308 718891258 /nfs/dbraw/zinc/89/12/58/718891258.db2.gz DFZPFDULDJBAPB-SFHVURJKSA-N 1 0 442.361 3.664 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(C)c(Cl)n1)C2 ZINC001164614164 719009411 /nfs/dbraw/zinc/00/94/11/719009411.db2.gz DFLKOJZNYLATGI-FOIQADDNSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(C)c2)c1 ZINC001164614887 719020045 /nfs/dbraw/zinc/02/00/45/719020045.db2.gz GTVIMYGBJCJZHP-ZYSHUDEJSA-N 1 0 435.902 3.985 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(OC)nc3Cl)CC2)CC1 ZINC001164614654 719026014 /nfs/dbraw/zinc/02/60/14/719026014.db2.gz WFNUHVVIHSULKF-UHFFFAOYSA-N 1 0 431.911 3.532 20 0 IHADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nc3ccccc3nc2N2CCOCC2)cc1 ZINC001164625951 719076641 /nfs/dbraw/zinc/07/66/41/719076641.db2.gz NTKQIWQBXJGHGM-URXFXBBRSA-N 1 0 429.568 3.567 20 0 IHADRO CCOC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1C(=O)OCC ZINC001164627473 719112871 /nfs/dbraw/zinc/11/28/71/719112871.db2.gz KWINGJTXHNQICW-DENIHFKCSA-N 1 0 437.540 3.536 20 0 IHADRO CCOC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1C(=O)OCC ZINC001164627477 719114820 /nfs/dbraw/zinc/11/48/20/719114820.db2.gz KWINGJTXHNQICW-SIKLNZKXSA-N 1 0 437.540 3.536 20 0 IHADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2CF)CC1 ZINC001164620229 719121563 /nfs/dbraw/zinc/12/15/63/719121563.db2.gz HZWILAPUHMRFGT-RDJZCZTQSA-N 1 0 429.609 3.679 20 0 IHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)n1 ZINC001164619499 719124326 /nfs/dbraw/zinc/12/43/26/719124326.db2.gz DSMKBYQUDAXDHW-AEFFLSMTSA-N 1 0 425.577 3.933 20 0 IHADRO [NH3+]C1([C@@H]2CN(C(F)(F)Oc3cccc(COc4cncc(Cl)n4)c3)C[C@@H]2CF)CC1 ZINC001164619215 719124340 /nfs/dbraw/zinc/12/43/40/719124340.db2.gz DDQDNYVHHIFSLH-GOEBONIOSA-N 1 0 442.869 3.647 20 0 IHADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)c1 ZINC001164622401 719125757 /nfs/dbraw/zinc/12/57/57/719125757.db2.gz OSMSYFYQWIYRPZ-CZUORRHYSA-N 1 0 426.870 3.864 20 0 IHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164637166 719237206 /nfs/dbraw/zinc/23/72/06/719237206.db2.gz UMISKNYKRVDHMJ-CVEARBPZSA-N 1 0 445.633 3.691 20 0 IHADRO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3O2)n1 ZINC001164640357 719262046 /nfs/dbraw/zinc/26/20/46/719262046.db2.gz SQGDAUFXANDBFC-HJNYFJLDSA-N 1 0 437.588 3.826 20 0 IHADRO c1sc([C@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3O2)nc1C1CC1 ZINC001164649325 719289702 /nfs/dbraw/zinc/28/97/02/719289702.db2.gz WFFIPOGLERKALF-SXLOBPIMSA-N 1 0 426.586 3.857 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164670175 719442819 /nfs/dbraw/zinc/44/28/19/719442819.db2.gz NRMHWYUMYSIPGM-WOJBJXKFSA-N 1 0 429.549 3.940 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164670169 719444414 /nfs/dbraw/zinc/44/44/14/719444414.db2.gz NRMHWYUMYSIPGM-PMACEKPBSA-N 1 0 429.549 3.940 20 0 IHADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc([Si](C)(C)C)c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681291 719631817 /nfs/dbraw/zinc/63/18/17/719631817.db2.gz GAFSRLIZGJOQFI-UHFFFAOYSA-N 1 0 442.030 3.560 20 0 IHADRO CC(C)N(C)Cc1nn(-c2cc(F)ccc2Oc2ccc(Cl)nn2)c2c1CC[NH2+]C2 ZINC001164679469 719637611 /nfs/dbraw/zinc/63/76/11/719637611.db2.gz BNPSLHJJEUAHJA-UHFFFAOYSA-N 1 0 430.915 3.733 20 0 IHADRO CC(C)N(C)Cc1nn(-c2cc(-c3nc(-c4cccs4)no3)ccn2)c2c1CC[NH2+]C2 ZINC001164679429 719644395 /nfs/dbraw/zinc/64/43/95/719644395.db2.gz AHPXKRCIOJFHKJ-UHFFFAOYSA-N 1 0 435.557 3.532 20 0 IHADRO COc1cccc(Oc2nc(Cl)ncc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164683996 719651836 /nfs/dbraw/zinc/65/18/36/719651836.db2.gz VXGYUSPWJYJDBO-UHFFFAOYSA-N 1 0 442.951 3.603 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4ncccc4n3)CC2)c2ccccc21 ZINC001164680060 719666273 /nfs/dbraw/zinc/66/62/73/719666273.db2.gz BDLNAAWXTWPHEN-HXUWFJFHSA-N 1 0 443.595 3.723 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4occc4n3)CC2)c2ccccc21 ZINC001164686077 719671471 /nfs/dbraw/zinc/67/14/71/719671471.db2.gz WNSPDVDDKHNBRF-LJQANCHMSA-N 1 0 432.568 3.921 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164681989 719710297 /nfs/dbraw/zinc/71/02/97/719710297.db2.gz AXMXFKPAWMCCAM-UHFFFAOYSA-N 1 0 449.933 3.523 20 0 IHADRO CC(C)N(C)C(=O)c1noc2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164696028 719785816 /nfs/dbraw/zinc/78/58/16/719785816.db2.gz RKPQYICXCDAECB-UHFFFAOYSA-N 1 0 445.567 3.671 20 0 IHADRO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164690858 719805985 /nfs/dbraw/zinc/80/59/85/719805985.db2.gz BELHDEHCBQXELJ-UHFFFAOYSA-N 1 0 435.981 3.707 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001164711659 720099754 /nfs/dbraw/zinc/09/97/54/720099754.db2.gz SFLAOCOUKOBTHX-QGZVFWFLSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164718060 720110815 /nfs/dbraw/zinc/11/08/15/720110815.db2.gz RGHDLPLWXRZCAK-KRWDZBQOSA-N 1 0 446.020 3.681 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164718569 720117561 /nfs/dbraw/zinc/11/75/61/720117561.db2.gz SLQAGRJHVJVGRS-NQIIRXRSSA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1SC)CC2 ZINC001164718541 720121846 /nfs/dbraw/zinc/12/18/46/720121846.db2.gz RXHPYKZSCKUNBK-QGZVFWFLSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164714823 720124683 /nfs/dbraw/zinc/12/46/83/720124683.db2.gz CFESDCOZIJKUKR-KRWDZBQOSA-N 1 0 426.952 3.514 20 0 IHADRO CCOC(=O)c1cc2c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)[nH]c(C)c(C)c-2n1 ZINC001164808503 720133058 /nfs/dbraw/zinc/13/30/58/720133058.db2.gz FHUVEBXRYQITMH-KBMIEXCESA-N 1 0 440.588 3.541 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cncc(Cl)n1)CC2 ZINC001164710852 720133122 /nfs/dbraw/zinc/13/31/22/720133122.db2.gz DVLASSPCIIZAIH-KRWDZBQOSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164712367 720156239 /nfs/dbraw/zinc/15/62/39/720156239.db2.gz FZAXRWOIUWIEAQ-IBGZPJMESA-N 1 0 442.007 3.911 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164813068 720161288 /nfs/dbraw/zinc/16/12/88/720161288.db2.gz CMBOOPQNWBOWIW-RLWLMLJZSA-N 1 0 435.616 3.805 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164817440 720163979 /nfs/dbraw/zinc/16/39/79/720163979.db2.gz PJEYXRKFRZFOOP-QFQXNSOFSA-N 1 0 429.568 3.877 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164815601 720172993 /nfs/dbraw/zinc/17/29/93/720172993.db2.gz ILNQCPITAXCVRP-DVECYGJZSA-N 1 0 447.023 3.592 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164818497 720174057 /nfs/dbraw/zinc/17/40/57/720174057.db2.gz SXFVUHAKTLKVMA-HYBUGGRVSA-N 1 0 447.023 3.546 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164816370 720189855 /nfs/dbraw/zinc/18/98/55/720189855.db2.gz LDGPTVXSGGBWLV-DVECYGJZSA-N 1 0 435.597 3.938 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3cccc(Cl)c31)CCC2 ZINC001164811979 720222433 /nfs/dbraw/zinc/22/24/33/720222433.db2.gz BQXDFSDJELXOJN-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C(F)F)nc3ccc(F)cc31)CCC2 ZINC001164817979 720243879 /nfs/dbraw/zinc/24/38/79/720243879.db2.gz VXWYIJJUIGMGFS-UHFFFAOYSA-N 1 0 446.477 3.514 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)ccc3c(Cl)ncnc31)CCC2 ZINC001164817963 720245880 /nfs/dbraw/zinc/24/58/80/720245880.db2.gz VKXPRTSAGJFKHM-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)CC1 ZINC001164820599 720297180 /nfs/dbraw/zinc/29/71/80/720297180.db2.gz HTTKHMYNSJRYOS-IAGOWNOFSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2c(Cl)cc(Cl)nc2Cl)CC1 ZINC001164827323 720305948 /nfs/dbraw/zinc/30/59/48/720305948.db2.gz WNPORGUZWWXBSB-HUUCEWRRSA-N 1 0 431.795 3.953 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(Cl)cc(Cl)nc2Cl)CC1 ZINC001164827321 720306127 /nfs/dbraw/zinc/30/61/27/720306127.db2.gz WNPORGUZWWXBSB-CABCVRRESA-N 1 0 431.795 3.953 20 0 IHADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818629 720309639 /nfs/dbraw/zinc/30/96/39/720309639.db2.gz AVRXUTUKHOFAIO-OALUTQOASA-N 1 0 427.980 3.503 20 0 IHADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818630 720309673 /nfs/dbraw/zinc/30/96/73/720309673.db2.gz AVRXUTUKHOFAIO-RBUKOAKNSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccc(Cl)cc3nc2Cl)CC1 ZINC001164821352 720310216 /nfs/dbraw/zinc/31/02/16/720310216.db2.gz KDTJBLLLXRBDMC-RBUKOAKNSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(F)cc3ccc(Cl)nc32)CC1 ZINC001164828993 720319039 /nfs/dbraw/zinc/31/90/39/720319039.db2.gz LDLMKBRMHOAISG-RTBURBONSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3cccc(Cl)c3)nn2)CC1 ZINC001164827505 720339151 /nfs/dbraw/zinc/33/91/51/720339151.db2.gz MKAQOAPDCIAYJL-YADHBBJMSA-N 1 0 439.991 3.709 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164828378 720344448 /nfs/dbraw/zinc/34/44/48/720344448.db2.gz ONUXKWLVJBLOEI-BJKOFHAPSA-N 1 0 433.600 3.618 20 0 IHADRO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)O2)n1 ZINC001164832050 720404026 /nfs/dbraw/zinc/40/40/26/720404026.db2.gz YJEKGJIKLDZTED-ZRBLBEILSA-N 1 0 431.540 3.830 20 0 IHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725316 720486877 /nfs/dbraw/zinc/48/68/77/720486877.db2.gz JNULOXPJGNNCDJ-RTWAWAEBSA-N 1 0 445.945 3.905 20 0 IHADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164835345 720507007 /nfs/dbraw/zinc/50/70/07/720507007.db2.gz KEBUWHWIYNNZHZ-XGHQBKJUSA-N 1 0 440.979 3.866 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@@H]21 ZINC001164840013 720510104 /nfs/dbraw/zinc/51/01/04/720510104.db2.gz VTMUZNKMJIRCMY-YCPHGPKFSA-N 1 0 445.345 3.903 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc(Cl)nc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833301 720524722 /nfs/dbraw/zinc/52/47/22/720524722.db2.gz CZVFVLFBBWXSDK-SOLBZPMBSA-N 1 0 425.911 3.734 20 0 IHADRO CCc1cccc(Oc2nc(Cl)ncc2N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001164735835 720533122 /nfs/dbraw/zinc/53/31/22/720533122.db2.gz RZAKAXVBKYLUAN-KRWDZBQOSA-N 1 0 426.952 3.879 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2ccccc2Cl)C1 ZINC001164735175 720533426 /nfs/dbraw/zinc/53/34/26/720533426.db2.gz MXFPFOKBFLQELE-AWEZNQCLSA-N 1 0 433.343 3.970 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c(F)cccc43)CC[C@@H]21 ZINC001164840804 720534702 /nfs/dbraw/zinc/53/47/02/720534702.db2.gz UAJHIWJPVNRGPK-BXWFABGCSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3F)CC[C@@H]21 ZINC001164835888 720541086 /nfs/dbraw/zinc/54/10/86/720541086.db2.gz IXRFFCWGALFQFP-VYDXJSESSA-N 1 0 427.902 3.993 20 0 IHADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164838560 720542531 /nfs/dbraw/zinc/54/25/31/720542531.db2.gz ONFCJPWYXDYPHN-QWFCFKBJSA-N 1 0 445.995 3.794 20 0 IHADRO CC(C)(C)N(c1ncnc2c1CN(Cc1ccccc1)CC2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736209 720543978 /nfs/dbraw/zinc/54/39/78/720543978.db2.gz VYVIDRLZJQHVIT-NRFANRHFSA-N 1 0 435.616 3.551 20 0 IHADRO COC(=O)c1cc(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cnc1Cl ZINC001164733172 720544723 /nfs/dbraw/zinc/54/47/23/720544723.db2.gz BTZGYYWELSVKJH-CQSZACIVSA-N 1 0 431.911 3.583 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@@H]21 ZINC001164842546 720548616 /nfs/dbraw/zinc/54/86/16/720548616.db2.gz YCSWATPUQGIAKR-XWGVYQGASA-N 1 0 444.583 3.908 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(OCc4ccccc4)cnn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840161 720559590 /nfs/dbraw/zinc/55/95/90/720559590.db2.gz RWWAVFJTQVCPGN-WPFOTENUSA-N 1 0 432.572 3.630 20 0 IHADRO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164833600 720573079 /nfs/dbraw/zinc/57/30/79/720573079.db2.gz AOSLXOAGTGVEBL-PQNGQFLHSA-N 1 0 432.572 3.727 20 0 IHADRO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841410 720575118 /nfs/dbraw/zinc/57/51/18/720575118.db2.gz VBGDEGDILKOAPW-BHDDXSALSA-N 1 0 425.625 3.677 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)CC[C@@H]21 ZINC001164836843 720582701 /nfs/dbraw/zinc/58/27/01/720582701.db2.gz HBELHDOFBYRTOA-FIXSFTCYSA-N 1 0 428.584 3.817 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(F)cc4ncnc(Cl)c43)CC[C@@H]21 ZINC001164841196 720585757 /nfs/dbraw/zinc/58/57/57/720585757.db2.gz RRSWUSIZQMBIOX-AYBZRNKSSA-N 1 0 428.943 3.997 20 0 IHADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841484 720613735 /nfs/dbraw/zinc/61/37/35/720613735.db2.gz SHHPQAFJQYHDDO-TXTKFYIRSA-N 1 0 433.556 3.596 20 0 IHADRO COc1cc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2cc1OC ZINC001164835326 720615011 /nfs/dbraw/zinc/61/50/11/720615011.db2.gz BDZQMVQOVYTMFS-BHDDXSALSA-N 1 0 435.572 3.826 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@@H]21 ZINC001164844159 720620564 /nfs/dbraw/zinc/62/05/64/720620564.db2.gz ZLVFPOQOQFBGFC-SPEDKVCISA-N 1 0 438.526 3.996 20 0 IHADRO CC(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2)n1 ZINC001164835997 720624662 /nfs/dbraw/zinc/62/46/62/720624662.db2.gz DTPJMCHGQPWGJI-PWRODBHTSA-N 1 0 435.576 3.829 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cl)c4ccc(F)cc43)CC[C@@H]21 ZINC001164844147 720627587 /nfs/dbraw/zinc/62/75/87/720627587.db2.gz ZBKBCMJWZSEHRC-SYNHAJSKSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)CC[C@@H]21 ZINC001164837800 720628389 /nfs/dbraw/zinc/62/83/89/720628389.db2.gz JPGISJXMLVKACJ-DPLHUUCSSA-N 1 0 443.599 3.602 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)Oc3ccnc(Cl)c3)CC[C@@H]21 ZINC001164840820 720638238 /nfs/dbraw/zinc/63/82/38/720638238.db2.gz QXULIAAUSZEICL-RYRKJORJSA-N 1 0 425.911 3.734 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CC[C@@H]21 ZINC001164840801 720640136 /nfs/dbraw/zinc/64/01/36/720640136.db2.gz QUEMCZUFRGQPMV-BJLQDIEVSA-N 1 0 426.565 3.919 20 0 IHADRO COc1cc2ncc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2cc1OC ZINC001164840470 720687040 /nfs/dbraw/zinc/68/70/40/720687040.db2.gz FDQPPSIFOVYEQP-HXUWFJFHSA-N 1 0 448.567 3.907 20 0 IHADRO COCc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(SC)n1 ZINC001164840562 720688943 /nfs/dbraw/zinc/68/89/43/720688943.db2.gz GNNNSRGMPDKCIZ-HXUWFJFHSA-N 1 0 428.602 3.605 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164839812 720690568 /nfs/dbraw/zinc/69/05/68/720690568.db2.gz BXJXIYMSPIWARV-HXUWFJFHSA-N 1 0 437.588 3.721 20 0 IHADRO FC(F)(c1ccc(Cl)nc1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843468 720741948 /nfs/dbraw/zinc/74/19/48/720741948.db2.gz KVDXOIZMROOKHF-UHFFFAOYSA-N 1 0 430.890 3.637 20 0 IHADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742132 720786795 /nfs/dbraw/zinc/78/67/95/720786795.db2.gz CHDWSBYTCVPJJL-IRXDYDNUSA-N 1 0 431.874 3.565 20 0 IHADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164749215 720787131 /nfs/dbraw/zinc/78/71/31/720787131.db2.gz SEKOERJYIPBKIM-QZTJIDSGSA-N 1 0 436.947 3.546 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccsc2n1 ZINC001164742685 720822757 /nfs/dbraw/zinc/82/27/57/720822757.db2.gz QMFOTJAKHKXXLO-XYJFISCASA-N 1 0 428.993 3.921 20 0 IHADRO Cc1sc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164742049 720827285 /nfs/dbraw/zinc/82/72/85/720827285.db2.gz PCLNSXBXCZFZBW-XUVXKRRUSA-N 1 0 437.617 3.587 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(-c2ccccc2)nn1 ZINC001164737694 720828980 /nfs/dbraw/zinc/82/89/80/720828980.db2.gz CBRLPLPETBOGFI-NJDAHSKKSA-N 1 0 449.990 3.768 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741826 720836865 /nfs/dbraw/zinc/83/68/65/720836865.db2.gz FPNDCYCICYVISK-SVFBPWRDSA-N 1 0 443.555 3.655 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743073 720843967 /nfs/dbraw/zinc/84/39/67/720843967.db2.gz ILXYKQZDBMDIKP-AOHZBQACSA-N 1 0 435.620 3.804 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@@H]2C1 ZINC001164852557 720844584 /nfs/dbraw/zinc/84/45/84/720844584.db2.gz KUYSQAHUSXKOCD-WBVHZDCISA-N 1 0 430.599 3.593 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751857 720856167 /nfs/dbraw/zinc/85/61/67/720856167.db2.gz RDQDORIUOVRHHA-HSALFYBXSA-N 1 0 444.027 3.608 20 0 IHADRO Fc1cc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1Cl ZINC001164750291 720856341 /nfs/dbraw/zinc/85/63/41/720856341.db2.gz PICLTINOISCLCK-JBYIUTFZSA-N 1 0 440.954 3.998 20 0 IHADRO Fc1ccc(Cl)c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164745969 720856874 /nfs/dbraw/zinc/85/68/74/720856874.db2.gz DZXFWZJTIPWMID-LLGFUMIMSA-N 1 0 440.954 3.998 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164859933 720872637 /nfs/dbraw/zinc/87/26/37/720872637.db2.gz NFKQGEFHVBBVFC-RISCZKNCSA-N 1 0 444.737 3.760 20 0 IHADRO c1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc2c1 ZINC001164755305 720873377 /nfs/dbraw/zinc/87/33/77/720873377.db2.gz WJUPZKUZQTWVNZ-BKMJKUGQSA-N 1 0 429.568 3.780 20 0 IHADRO Fc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749902 720885425 /nfs/dbraw/zinc/88/54/25/720885425.db2.gz AWFKITNKFAOALG-HFZDXXHNSA-N 1 0 447.558 3.919 20 0 IHADRO CC(C)(C)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164755132 720910908 /nfs/dbraw/zinc/91/09/08/720910908.db2.gz YPAZOPGAKZKRSU-GJZUVCINSA-N 1 0 435.616 3.924 20 0 IHADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164862677 720962081 /nfs/dbraw/zinc/96/20/81/720962081.db2.gz WXPXXAOSRFMLOM-CQSZACIVSA-N 1 0 442.951 3.688 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)[C@@H]2C ZINC001164863445 720972205 /nfs/dbraw/zinc/97/22/05/720972205.db2.gz VMGJDUNKGGDKMI-OAHLLOKOSA-N 1 0 433.000 3.881 20 0 IHADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](C(C)(C)c2ccnc(Cl)c2)C1 ZINC001164757011 721017947 /nfs/dbraw/zinc/01/79/47/721017947.db2.gz CILRSCSJHALRMJ-NSISKUIASA-N 1 0 428.964 3.503 20 0 IHADRO CCn1nnc2c1CCN(c1ccc(C[NH+]3CCCC3)cn1)[C@H]2COCc1ccccc1 ZINC001164765188 721049232 /nfs/dbraw/zinc/04/92/32/721049232.db2.gz CFZXFVFFOCHWMY-QHCPKHFHSA-N 1 0 432.572 3.609 20 0 IHADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867361 721050804 /nfs/dbraw/zinc/05/08/04/721050804.db2.gz INROFADFUGAHOW-LSDHHAIUSA-N 1 0 429.298 3.808 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164774103 721093415 /nfs/dbraw/zinc/09/34/15/721093415.db2.gz YVLBIWIMENVDRA-CVEARBPZSA-N 1 0 432.906 3.520 20 0 IHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866977 721108798 /nfs/dbraw/zinc/10/87/98/721108798.db2.gz WBGMVNWVZCUKMT-SJORKVTESA-N 1 0 445.901 3.703 20 0 IHADRO Clc1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1Cl ZINC001164866175 721118752 /nfs/dbraw/zinc/11/87/52/721118752.db2.gz RPYZIWWIKVYXQE-HOTGVXAUSA-N 1 0 430.339 3.811 20 0 IHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164873653 721128816 /nfs/dbraw/zinc/12/88/16/721128816.db2.gz JUSRXNPEVMIITQ-IRXDYDNUSA-N 1 0 433.890 3.636 20 0 IHADRO c1ccc(-c2nsc3c2ncnc3N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164881158 721148762 /nfs/dbraw/zinc/14/87/62/721148762.db2.gz ZLALVLCBUQOESA-VQTJNVASSA-N 1 0 444.564 3.628 20 0 IHADRO c1ccc(-c2nsc3c2ncnc3N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881160 721148856 /nfs/dbraw/zinc/14/88/56/721148856.db2.gz ZLALVLCBUQOESA-WOJBJXKFSA-N 1 0 444.564 3.628 20 0 IHADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868875 721196404 /nfs/dbraw/zinc/19/64/04/721196404.db2.gz ORWFFLOCVZWVPI-IRXDYDNUSA-N 1 0 434.918 3.643 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164767984 721239783 /nfs/dbraw/zinc/23/97/83/721239783.db2.gz XITAEJDYVSUWMV-IAGOWNOFSA-N 1 0 442.926 3.753 20 0 IHADRO O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)O1)c1ccccc1 ZINC001164879261 721259851 /nfs/dbraw/zinc/25/98/51/721259851.db2.gz XMLNRJFJNTZTDL-OZXSUGGESA-N 1 0 434.584 3.625 20 0 IHADRO Cc1cccc(N2CCC[C@]3(C2)CN(c2cccc(OCC[NH+]4CCCC4)n2)CCO3)c1 ZINC001164775339 721305181 /nfs/dbraw/zinc/30/51/81/721305181.db2.gz VWHRPGWZNZDQMK-SANMLTNESA-N 1 0 436.600 3.740 20 0 IHADRO COc1ccc2cnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2c1 ZINC001164781653 721361009 /nfs/dbraw/zinc/36/10/09/721361009.db2.gz KIFBYWUKAGOSOK-VWLOTQADSA-N 1 0 436.556 3.967 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892874 721395696 /nfs/dbraw/zinc/39/56/96/721395696.db2.gz UFCZJDYADMWXOK-URXFXBBRSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164893623 721397303 /nfs/dbraw/zinc/39/73/03/721397303.db2.gz WFCWJTJQXDVOMW-WZONZLPQSA-N 1 0 432.971 3.793 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5ccc(F)cc54)C3)O2)CC1 ZINC001164886104 721397341 /nfs/dbraw/zinc/39/73/41/721397341.db2.gz DLAXQVDFGASZJF-XXBNENTESA-N 1 0 432.971 3.793 20 0 IHADRO Cc1c(Cl)ccc2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164896201 721427867 /nfs/dbraw/zinc/42/78/67/721427867.db2.gz RBMBIURTDSKSSP-HYBUGGRVSA-N 1 0 429.008 3.962 20 0 IHADRO CCCCOc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164893685 721429279 /nfs/dbraw/zinc/42/92/79/721429279.db2.gz JYFPFFLTLOQLJU-XXBNENTESA-N 1 0 437.028 3.679 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)C3)O2)CC1 ZINC001164891782 721438213 /nfs/dbraw/zinc/43/82/13/721438213.db2.gz HKUVMRHIHOCZCG-URXFXBBRSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164897996 721439029 /nfs/dbraw/zinc/43/90/29/721439029.db2.gz VIABOXNUOBDOJI-GJZUVCINSA-N 1 0 435.616 3.526 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)nc4-c4ccccc4)C3)O2)CC1 ZINC001164895429 721440625 /nfs/dbraw/zinc/44/06/25/721440625.db2.gz PADNOPHSWQWJFT-HYBUGGRVSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c(F)cccc45)C3)O2)CC1 ZINC001164884946 721450016 /nfs/dbraw/zinc/45/00/16/721450016.db2.gz CXIVXWQBRNCJDR-UZUQRXQVSA-N 1 0 432.971 3.793 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3)nn1)CC2 ZINC001164787857 721453211 /nfs/dbraw/zinc/45/32/11/721453211.db2.gz QYOOHEBDMLCMJD-HSZRJFAPSA-N 1 0 436.600 3.878 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164785562 721460037 /nfs/dbraw/zinc/46/00/37/721460037.db2.gz LWTVSFYSBCJDPH-WIYYLYMNSA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164786628 721464608 /nfs/dbraw/zinc/46/46/08/721464608.db2.gz ORPNXOAUONFKCW-FQEVSTJZSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3c4c([nH]c31)CCC4)CC2 ZINC001164790029 721471680 /nfs/dbraw/zinc/47/16/80/721471680.db2.gz QAVYVTBWOOKJAA-HXUWFJFHSA-N 1 0 438.616 3.786 20 0 IHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900350 721512931 /nfs/dbraw/zinc/51/29/31/721512931.db2.gz QWAGGRNJGYSKHT-WMZOPIPTSA-N 1 0 433.911 3.701 20 0 IHADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911336 721539742 /nfs/dbraw/zinc/53/97/42/721539742.db2.gz WIBMMGZPTJMSRF-UYAOXDASSA-N 1 0 446.954 3.698 20 0 IHADRO Cc1nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)c1C ZINC001164908094 721542347 /nfs/dbraw/zinc/54/23/47/721542347.db2.gz OQEZZRMYRPYBOE-RDJZCZTQSA-N 1 0 426.870 3.773 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909266 721546155 /nfs/dbraw/zinc/54/61/55/721546155.db2.gz RCMIDUCICNYHMF-WBVHZDCISA-N 1 0 430.915 3.542 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164909641 721560748 /nfs/dbraw/zinc/56/07/48/721560748.db2.gz UMHGQWCYJUIWJW-CTNGQTDRSA-N 1 0 431.515 3.508 20 0 IHADRO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905959 721582900 /nfs/dbraw/zinc/58/29/00/721582900.db2.gz YDNUZVDRAVPMCX-JOCHJYFZSA-N 1 0 428.531 3.518 20 0 IHADRO F[C@H](Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904944 721695891 /nfs/dbraw/zinc/69/58/91/721695891.db2.gz ICKSSZKHBKOEJT-OALUTQOASA-N 1 0 426.870 3.995 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3cnccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904844 721696761 /nfs/dbraw/zinc/69/67/61/721696761.db2.gz GWXAZTKLRFJYKD-HXUWFJFHSA-N 1 0 430.890 3.811 20 0 IHADRO CC1CCN(c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164909803 721725977 /nfs/dbraw/zinc/72/59/77/721725977.db2.gz DSKNNCGFPSTVTE-HSZRJFAPSA-N 1 0 442.558 3.846 20 0 IHADRO C[NH+](C)Cc1ccnc(N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001164912109 721742590 /nfs/dbraw/zinc/74/25/90/721742590.db2.gz LOMNRDSGQMAZPX-ZEQKJWHPSA-N 1 0 427.552 3.565 20 0 IHADRO Cc1nc2sc3c(c2c(N2CCCC24CC[NH+](CC(=O)N(C)C)CC4)n1)CCCCC3 ZINC001165009954 721744858 /nfs/dbraw/zinc/74/48/58/721744858.db2.gz KDXXLMBMAVJAOF-UHFFFAOYSA-N 1 0 441.645 3.792 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC001165013363 721748756 /nfs/dbraw/zinc/74/87/56/721748756.db2.gz ZQGFCHBFGUOZFF-UHFFFAOYSA-N 1 0 437.922 3.744 20 0 IHADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165013343 721749697 /nfs/dbraw/zinc/74/96/97/721749697.db2.gz YSRZMLHAVSUQQK-UHFFFAOYSA-N 1 0 436.934 3.998 20 0 IHADRO O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001165015497 721769723 /nfs/dbraw/zinc/76/97/23/721769723.db2.gz LTIAUMFVMHLKQA-UPVQGACJSA-N 1 0 442.563 3.974 20 0 IHADRO CCOC(=O)c1cnc(SC)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026912 721800247 /nfs/dbraw/zinc/80/02/47/721800247.db2.gz SIJDEKKHWDCRCV-DBVUQKKJSA-N 1 0 441.601 3.507 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@@H]21 ZINC001165026605 721801912 /nfs/dbraw/zinc/80/19/12/721801912.db2.gz RKOXILBUFVGOHA-NKKJXINNSA-N 1 0 433.600 3.840 20 0 IHADRO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024257 721811612 /nfs/dbraw/zinc/81/16/12/721811612.db2.gz KDDCSOWOZAMWFT-PMOQBDJRSA-N 1 0 445.567 3.938 20 0 IHADRO CCOC(=O)c1cnc(C2CC2)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024147 721811929 /nfs/dbraw/zinc/81/19/29/721811929.db2.gz JDMNAQJHGKBJTN-NYVOZVTQSA-N 1 0 435.572 3.663 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@H]21 ZINC001165022361 721824291 /nfs/dbraw/zinc/82/42/91/721824291.db2.gz HABJEYDOTDAXJD-FVQBIDKESA-N 1 0 447.921 3.635 20 0 IHADRO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)n1 ZINC001165029695 721831725 /nfs/dbraw/zinc/83/17/25/721831725.db2.gz XMRZVHKHMRNPNC-UAGQMJEPSA-N 1 0 437.922 3.815 20 0 IHADRO CCOCc1cnc(Cl)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022062 721842942 /nfs/dbraw/zinc/84/29/42/721842942.db2.gz OQWSUGKCEGMWRF-UHFFFAOYSA-N 1 0 434.968 3.785 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164924648 721858689 /nfs/dbraw/zinc/85/86/89/721858689.db2.gz COWXFXDWDPTDRJ-HOTGVXAUSA-N 1 0 430.330 3.696 20 0 IHADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c(Cl)nn2)c1 ZINC001164934020 721890245 /nfs/dbraw/zinc/89/02/45/721890245.db2.gz NZUSSBZQCXLNJF-WOJBJXKFSA-N 1 0 435.950 3.865 20 0 IHADRO COCc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(SC)n1 ZINC001164939885 721926158 /nfs/dbraw/zinc/92/61/58/721926158.db2.gz OXYVJQKBGYICHS-UHFFFAOYSA-N 1 0 428.602 3.525 20 0 IHADRO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)[nH]c-2n1 ZINC001164939692 721929129 /nfs/dbraw/zinc/92/91/29/721929129.db2.gz OTPKULUQHIUNAI-UHFFFAOYSA-N 1 0 448.567 3.919 20 0 IHADRO C=Cc1nc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1OC ZINC001164938638 721930312 /nfs/dbraw/zinc/93/03/12/721930312.db2.gz CCFXKFFZYKIGJM-UHFFFAOYSA-N 1 0 428.964 3.961 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc(-c5cccc(F)c5)n4)CC3)C2)cc1 ZINC001164938713 721931854 /nfs/dbraw/zinc/93/18/54/721931854.db2.gz FJZSSGKFDBUQHW-UHFFFAOYSA-N 1 0 433.531 3.858 20 0 IHADRO CC[NH+](CC)C1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165052881 722005780 /nfs/dbraw/zinc/00/57/80/722005780.db2.gz GFBQZOXWWWPTHE-UHFFFAOYSA-N 1 0 443.661 3.713 20 0 IHADRO c1ccc(CC[NH+]2CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC2)nc1 ZINC001165055080 722016068 /nfs/dbraw/zinc/01/60/68/722016068.db2.gz CCONKIFGORRNSZ-UHFFFAOYSA-N 1 0 430.552 3.944 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955425 722019948 /nfs/dbraw/zinc/01/99/48/722019948.db2.gz GHIRNNSYYWNQIC-UHFFFAOYSA-N 1 0 425.968 3.948 20 0 IHADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)CC3)c1 ZINC001164955622 722022398 /nfs/dbraw/zinc/02/23/98/722022398.db2.gz KOHDVTSIGSSHJK-UHFFFAOYSA-N 1 0 443.551 3.802 20 0 IHADRO Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(NC(=O)c2ccccc2)n1 ZINC001164961421 722024236 /nfs/dbraw/zinc/02/42/36/722024236.db2.gz NYUBMVDAKRSIFY-UHFFFAOYSA-N 1 0 442.567 3.925 20 0 IHADRO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ncccc2C[NH+]2CCCC2)C3)n1 ZINC001164959680 722027708 /nfs/dbraw/zinc/02/77/08/722027708.db2.gz ICNWFAUQUGUYDL-AOYPEHQESA-N 1 0 436.600 3.973 20 0 IHADRO O=C(c1ccco1)N1CC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164956647 722046858 /nfs/dbraw/zinc/04/68/58/722046858.db2.gz CDGCDKDXMIPWQW-JTHBVZDNSA-N 1 0 428.536 3.584 20 0 IHADRO Fc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164963137 722054744 /nfs/dbraw/zinc/05/47/44/722054744.db2.gz HOOUQHFGJRKJJC-UHFFFAOYSA-N 1 0 441.938 3.936 20 0 IHADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980721 722102008 /nfs/dbraw/zinc/10/20/08/722102008.db2.gz JYXBNKNZRYQTQY-WBVHZDCISA-N 1 0 426.870 3.541 20 0 IHADRO Fc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979087 722112243 /nfs/dbraw/zinc/11/22/43/722112243.db2.gz OVEZCMFCTBVJKU-VQIMIIECSA-N 1 0 427.911 3.545 20 0 IHADRO Fc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979077 722112322 /nfs/dbraw/zinc/11/23/22/722112322.db2.gz OVEZCMFCTBVJKU-APWZRJJASA-N 1 0 427.911 3.545 20 0 IHADRO CSc1nc2ccsc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975095 722112997 /nfs/dbraw/zinc/11/29/97/722112997.db2.gz JKEXGPQUHTVFFX-WMZOPIPTSA-N 1 0 427.599 3.536 20 0 IHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974386 722135213 /nfs/dbraw/zinc/13/52/13/722135213.db2.gz DMCZWNMMXHZSSR-ROUUACIJSA-N 1 0 447.917 3.884 20 0 IHADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979671 722137536 /nfs/dbraw/zinc/13/75/36/722137536.db2.gz LSDGEKKSBKTKQH-TZIWHRDSSA-N 1 0 439.560 3.551 20 0 IHADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164973171 722149566 /nfs/dbraw/zinc/14/95/66/722149566.db2.gz BIZWWDOPEXKWFK-ISKFKSNPSA-N 1 0 444.583 3.757 20 0 IHADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975296 722158738 /nfs/dbraw/zinc/15/87/38/722158738.db2.gz RPQGSBXPHICOFZ-LAUBAEHRSA-N 1 0 448.945 3.891 20 0 IHADRO CN(C)c1nc(-c2ccccc2)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994441 722202953 /nfs/dbraw/zinc/20/29/53/722202953.db2.gz HCCWHOCENIMTEA-RUZDIDTESA-N 1 0 432.547 3.989 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)CCC2 ZINC001165000327 722250869 /nfs/dbraw/zinc/25/08/69/722250869.db2.gz OHMVBESYIWPNRO-UHFFFAOYSA-N 1 0 434.318 3.618 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc3nc(Cl)cnc3cc1Cl)CCC2 ZINC001165000896 722253048 /nfs/dbraw/zinc/25/30/48/722253048.db2.gz WBJQGHIXOFTXDD-UHFFFAOYSA-N 1 0 435.359 3.622 20 0 IHADRO CSc1ccc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1Cl ZINC001165002572 722254358 /nfs/dbraw/zinc/25/43/58/722254358.db2.gz QLWYVDVOXQOTHS-UHFFFAOYSA-N 1 0 445.967 3.687 20 0 IHADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2N)c1 ZINC000467359316 1126094665 /nfs/dbraw/zinc/09/46/65/1126094665.db2.gz RSSMOENUBRXBPD-HNNXBMFYSA-N 1 0 428.168 3.795 20 0 IHADRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc(Br)c1O ZINC000673811990 1126104905 /nfs/dbraw/zinc/10/49/05/1126104905.db2.gz SPYZVRQJBBEWPZ-WMLDXEAASA-N 1 0 434.252 3.787 20 0 IHADRO Cn1ccnc1COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001176587602 1126149663 /nfs/dbraw/zinc/14/96/63/1126149663.db2.gz MCROLVXWJFIQHQ-QFIPXVFZSA-N 1 0 444.373 3.845 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)cc1OC ZINC001179520219 1126152512 /nfs/dbraw/zinc/15/25/12/1126152512.db2.gz IEONXMFJPCCXQT-NRFANRHFSA-N 1 0 437.462 3.693 20 0 IHADRO CCOC(=O)Nc1ccc2c(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)cc(=O)oc2c1 ZINC001198218621 1126154484 /nfs/dbraw/zinc/15/44/84/1126154484.db2.gz HYCMEUYRYYZOKA-QHCPKHFHSA-N 1 0 428.460 3.584 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3cc(Br)ccc3o2)cc1OC ZINC001198228487 1126155547 /nfs/dbraw/zinc/15/55/47/1126155547.db2.gz GWOGSWKRKXBXSE-HXUWFJFHSA-N 1 0 435.318 3.691 20 0 IHADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001307928951 1126162082 /nfs/dbraw/zinc/16/20/82/1126162082.db2.gz PPRMXDMJUPWIJB-HSZRJFAPSA-N 1 0 445.401 3.845 20 0 IHADRO Cn1cc(-c2ccc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)s2)cn1 ZINC001308465408 1126165952 /nfs/dbraw/zinc/16/59/52/1126165952.db2.gz WPGDVSQNNWKSLX-HXUWFJFHSA-N 1 0 432.387 3.921 20 0 IHADRO COc1c(Br)cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1Br ZINC001308546627 1126167691 /nfs/dbraw/zinc/16/76/91/1126167691.db2.gz DKEWYRXOQSVIJN-HZPDHXFCSA-N 1 0 427.136 3.968 20 0 IHADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@@H](CO)Cc2ccc(O)cc2)cc1Br ZINC001308688180 1126168314 /nfs/dbraw/zinc/16/83/14/1126168314.db2.gz VHAPAKJBWYEBLW-CZUORRHYSA-N 1 0 442.325 3.669 20 0 IHADRO COc1cccc(-c2nnc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)o2)c1 ZINC001460420488 1126190872 /nfs/dbraw/zinc/19/08/72/1126190872.db2.gz CBUVZLXTRFLZHX-OAQYLSRUSA-N 1 0 444.329 3.517 20 0 IHADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(C)c(I)cc1C ZINC001473749904 1126198568 /nfs/dbraw/zinc/19/85/68/1126198568.db2.gz FMJOQEYOXFSQBK-FQEVSTJZSA-N 1 0 439.337 4.000 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc(F)c2I)cc1 ZINC001461734495 1126196720 /nfs/dbraw/zinc/19/67/20/1126196720.db2.gz DBBDUVBAIPEWLB-GOSISDBHSA-N 1 0 429.273 3.522 20 0 IHADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)sc2C1 ZINC001474227118 1126203431 /nfs/dbraw/zinc/20/34/31/1126203431.db2.gz QNHIBUQPZWLPBG-JOCHJYFZSA-N 1 0 435.565 3.659 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc3c(C)cc(Br)cn23)cc1OC ZINC001474258520 1126204071 /nfs/dbraw/zinc/20/40/71/1126204071.db2.gz YCAQPFAJAJTPMZ-NRFANRHFSA-N 1 0 448.361 3.506 20 0 IHADRO COc1ccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccccc3OC)cs2)c(OC)c1 ZINC001560102542 1126208073 /nfs/dbraw/zinc/20/80/73/1126208073.db2.gz QRKVFZQBAQERRD-QHCPKHFHSA-N 1 0 428.554 3.919 20 0 IHADRO OC[C@]1([NH2+]Cc2ncc(Br)s2)CCc2cc(Br)ccc2C1 ZINC001620418701 1126240181 /nfs/dbraw/zinc/24/01/81/1126240181.db2.gz BFIVNUQEORSXDY-HNNXBMFYSA-N 1 0 432.181 3.678 20 0 IHADRO CCn1c(Br)c(Br)nc1C[NH2+][C@@H](CO)Cc1ccc(C)c(C)c1 ZINC001620960193 1126244212 /nfs/dbraw/zinc/24/42/12/1126244212.db2.gz YYJPGQYUZBENNM-CQSZACIVSA-N 1 0 445.199 3.738 20 0 IHADRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000038845964 563098539 /nfs/dbraw/zinc/09/85/39/563098539.db2.gz ACVRIGSOUNTLCT-GFCCVEGCSA-N 1 0 428.373 3.783 20 0 IHADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CC(=O)NC4(CC[NH2+]CC4)C3)c(Cl)nn2)cc1 ZINC001164391775 718810029 /nfs/dbraw/zinc/81/00/29/718810029.db2.gz INPDAAQOJLNPKC-UHFFFAOYSA-N 1 0 449.933 3.524 20 0 IHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164387549 718814246 /nfs/dbraw/zinc/81/42/46/718814246.db2.gz IAIOOWDSABDQJW-CQSZACIVSA-N 1 0 427.801 3.577 20 0 IHADRO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1C ZINC001164401834 718839920 /nfs/dbraw/zinc/83/99/20/718839920.db2.gz BQJPTDPLMSPLQA-MRXNPFEDSA-N 1 0 445.539 3.670 20 0 IHADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCOCC45C[NH2+]C5)c23)c1 ZINC001164403367 718860667 /nfs/dbraw/zinc/86/06/67/718860667.db2.gz MTILBIPDJMMGCT-UHFFFAOYSA-N 1 0 441.626 3.584 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164617423 719009011 /nfs/dbraw/zinc/00/90/11/719009011.db2.gz NZOFZJRMKXWCRR-LIRRHRJNSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N(CC)c4ccccc4)ncn3)CC2)CC1 ZINC001164616492 719033846 /nfs/dbraw/zinc/03/38/46/719033846.db2.gz DLVWMAUXZSBSJK-UHFFFAOYSA-N 1 0 437.588 3.879 20 0 IHADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4nc5ccccc5nc4N4CCOCC4)[C@@H]3C2)cc1 ZINC001164625956 719076494 /nfs/dbraw/zinc/07/64/94/719076494.db2.gz NTKQIWQBXJGHGM-XUZZJYLKSA-N 1 0 429.568 3.567 20 0 IHADRO [NH3+]C1([C@@H]2CN(C(F)(F)Oc3cccc(COc4cncc(Cl)n4)c3)C[C@H]2CF)CC1 ZINC001164619213 719124798 /nfs/dbraw/zinc/12/47/98/719124798.db2.gz DDQDNYVHHIFSLH-GDBMZVCRSA-N 1 0 442.869 3.647 20 0 IHADRO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3O2)n1 ZINC001164640355 719262191 /nfs/dbraw/zinc/26/21/91/719262191.db2.gz SQGDAUFXANDBFC-BAGYTPMASA-N 1 0 437.588 3.826 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@@H]21 ZINC001164675068 719437165 /nfs/dbraw/zinc/43/71/65/719437165.db2.gz YLCWVFPHUKVAHW-VXKWHMMOSA-N 1 0 429.499 3.746 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164675154 719440689 /nfs/dbraw/zinc/44/06/89/719440689.db2.gz ZHBDJTGACHNTBO-LEWJYISDSA-N 1 0 449.624 3.863 20 0 IHADRO COc1ccccc1Oc1nc(Cl)ncc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682777 719651525 /nfs/dbraw/zinc/65/15/25/719651525.db2.gz SVZYLPMKCJFHBA-UHFFFAOYSA-N 1 0 442.951 3.603 20 0 IHADRO CCOc1cccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681929 719665687 /nfs/dbraw/zinc/66/56/87/719665687.db2.gz OLNDMVGIXYRMRO-HXUWFJFHSA-N 1 0 436.600 3.574 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4cccnc4n3)CC2)c2ccccc21 ZINC001164681918 719666685 /nfs/dbraw/zinc/66/66/85/719666685.db2.gz OKFQEUIUEPPULI-NRFANRHFSA-N 1 0 443.595 3.723 20 0 IHADRO CCCc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)n1 ZINC001164680073 719673523 /nfs/dbraw/zinc/67/35/23/719673523.db2.gz BJLJVIHKSNLWSP-NRFANRHFSA-N 1 0 449.643 3.831 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(C(F)F)n3)CC2)c2ccccc21 ZINC001164682945 719675337 /nfs/dbraw/zinc/67/53/37/719675337.db2.gz QDERVXCCRNQYDF-QGZVFWFLSA-N 1 0 443.542 3.508 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164690264 719748868 /nfs/dbraw/zinc/74/88/68/719748868.db2.gz XKZILHMLAZNIEL-UHFFFAOYSA-N 1 0 449.933 3.523 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)CC2 ZINC001164689357 719752555 /nfs/dbraw/zinc/75/25/55/719752555.db2.gz CMIVHHIOQJTHMP-UHFFFAOYSA-N 1 0 442.007 3.518 20 0 IHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(NC(=O)C(C)(C)C)nn2)CC3)cs1 ZINC001164694356 719808443 /nfs/dbraw/zinc/80/84/43/719808443.db2.gz WBHRQVQPMZVHDT-UHFFFAOYSA-N 1 0 428.606 3.861 20 0 IHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)CC3)C2)c1 ZINC001164707368 719899975 /nfs/dbraw/zinc/89/99/75/719899975.db2.gz QVEQVBTXTBBNCN-UHFFFAOYSA-N 1 0 447.608 3.960 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(NCC3CC3)n1)CC2 ZINC001164709759 720093251 /nfs/dbraw/zinc/09/32/51/720093251.db2.gz CZHRMKUUEKMMLR-QFIPXVFZSA-N 1 0 436.604 3.509 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(OC(C)(C)C)n1)CC2 ZINC001164716386 720120598 /nfs/dbraw/zinc/12/05/98/720120598.db2.gz KRECDZDAIIYQKK-FQEVSTJZSA-N 1 0 425.577 3.556 20 0 IHADRO CCOCc1cnc(Cl)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164713616 720134387 /nfs/dbraw/zinc/13/43/87/720134387.db2.gz SZIBIBZOYXHRHA-HXUWFJFHSA-N 1 0 445.995 3.569 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164714378 720137641 /nfs/dbraw/zinc/13/76/41/720137641.db2.gz WQOVOSHJYIMRCI-KRWDZBQOSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cccc(OC)c31)CC2 ZINC001164710481 720142189 /nfs/dbraw/zinc/14/21/89/720142189.db2.gz BVCJBNDLWKZSHS-HXUWFJFHSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccncc3)nc(C)n1)CC2 ZINC001164710523 720146194 /nfs/dbraw/zinc/14/61/94/720146194.db2.gz CBOGMWSGTUNRNY-HSZRJFAPSA-N 1 0 444.583 3.750 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164710783 720147664 /nfs/dbraw/zinc/14/76/64/720147664.db2.gz CMHKSJHINGUIFR-QFIPXVFZSA-N 1 0 448.546 3.580 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)cc1Cl)CCC2 ZINC001164815279 720212947 /nfs/dbraw/zinc/21/29/47/720212947.db2.gz YGWNXFTZGODAOP-UHFFFAOYSA-N 1 0 446.329 3.741 20 0 IHADRO COc1cccc2c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc(Cl)nc12 ZINC001164817622 720288118 /nfs/dbraw/zinc/28/81/18/720288118.db2.gz FHCOMFMXYOHEMK-RTBURBONSA-N 1 0 442.991 3.808 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)CC1 ZINC001164824559 720293169 /nfs/dbraw/zinc/29/31/69/720293169.db2.gz RMJBXSMSBGMHSY-SJORKVTESA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)CC1 ZINC001164819996 720294221 /nfs/dbraw/zinc/29/42/21/720294221.db2.gz GCYPDLFNWVQYMZ-DLBZAZTESA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)CC1 ZINC001164819999 720294405 /nfs/dbraw/zinc/29/44/05/720294405.db2.gz GCYPDLFNWVQYMZ-SJORKVTESA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3ccnc(Cl)c3)ccn2)CC1 ZINC001164824474 720305193 /nfs/dbraw/zinc/30/51/93/720305193.db2.gz QUVDANYQNBOZFE-NHCUHLMSSA-N 1 0 439.991 3.709 20 0 IHADRO Cc1cccc2c(Cl)nnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164823184 720316467 /nfs/dbraw/zinc/31/64/67/720316467.db2.gz PFDIVOOAFXVGDR-MOPGFXCFSA-N 1 0 427.980 3.503 20 0 IHADRO Cc1sc2nc(C)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164834211 720317112 /nfs/dbraw/zinc/31/71/12/720317112.db2.gz YSPSRIXARGSUJL-OALUTQOASA-N 1 0 427.618 3.528 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(F)cc3ccc(Cl)nc32)CC1 ZINC001164828988 720319452 /nfs/dbraw/zinc/31/94/52/720319452.db2.gz LDLMKBRMHOAISG-OALUTQOASA-N 1 0 430.955 3.939 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828935 720334824 /nfs/dbraw/zinc/33/48/24/720334824.db2.gz KRGPJDQBNSTTOH-RTBURBONSA-N 1 0 445.011 3.577 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2OCc2ccccc2)CC1 ZINC001164823602 720336725 /nfs/dbraw/zinc/33/67/25/720336725.db2.gz HFGXBZLDWWSFLK-DHIUTWEWSA-N 1 0 434.584 3.572 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3cccc(Cl)c3)ncn2)CC1 ZINC001164826660 720342689 /nfs/dbraw/zinc/34/26/89/720342689.db2.gz KQHIHQFRUWARPX-YADHBBJMSA-N 1 0 439.991 3.709 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164822766 720342831 /nfs/dbraw/zinc/34/28/31/720342831.db2.gz FEQWYCYYPMZANY-ZEQRLZLVSA-N 1 0 433.600 3.672 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c(Cl)ccc(F)c3n2)CC1 ZINC001164830086 720350734 /nfs/dbraw/zinc/35/07/34/720350734.db2.gz VEFQGISNNIOURO-VQTJNVASSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3c(Cl)cccc3nc2Cl)CC1 ZINC001164830019 720351001 /nfs/dbraw/zinc/35/10/01/720351001.db2.gz USVGMSFEBULHLO-QZTJIDSGSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3c(Cl)cccc3nc2Cl)CC1 ZINC001164830017 720351100 /nfs/dbraw/zinc/35/11/00/720351100.db2.gz USVGMSFEBULHLO-MSOLQXFVSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824224 720351731 /nfs/dbraw/zinc/35/17/31/720351731.db2.gz HPXGJBGADAVKLK-PKTZIBPZSA-N 1 0 437.563 3.503 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822872 720351895 /nfs/dbraw/zinc/35/18/95/720351895.db2.gz FZWZIDVZWAUQMP-PKTZIBPZSA-N 1 0 437.563 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3c(F)cccc23)CC1 ZINC001164831130 720352976 /nfs/dbraw/zinc/35/29/76/720352976.db2.gz XTNAGJAVFHELER-OALUTQOASA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(Cl)ccc3c(Cl)ncnc32)CC1 ZINC001164831680 720354489 /nfs/dbraw/zinc/35/44/89/720354489.db2.gz ZMVGIDPJMGTEEV-MSOLQXFVSA-N 1 0 448.398 3.848 20 0 IHADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2n1 ZINC001164725224 720355733 /nfs/dbraw/zinc/35/57/33/720355733.db2.gz MSHGLBFQCUYKJQ-NEPJUHHUSA-N 1 0 436.734 3.628 20 0 IHADRO Clc1nc2c(c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)C2 ZINC001164726667 720359258 /nfs/dbraw/zinc/35/92/58/720359258.db2.gz QYANJMKWOPGJIC-XZOQPEGZSA-N 1 0 446.986 3.894 20 0 IHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164723923 720405475 /nfs/dbraw/zinc/40/54/75/720405475.db2.gz ICUMPZXOJJAECS-MSOLQXFVSA-N 1 0 426.883 3.705 20 0 IHADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727017 720455842 /nfs/dbraw/zinc/45/58/42/720455842.db2.gz CTVYDPWSOMAHIL-FGZHOGPDSA-N 1 0 429.524 3.553 20 0 IHADRO COCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccccc2)n1 ZINC001164833341 720512863 /nfs/dbraw/zinc/51/28/63/720512863.db2.gz DFMPRHNZWHJRFR-OEMFJLHTSA-N 1 0 446.599 3.864 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC[C@@H]21 ZINC001164835759 720514034 /nfs/dbraw/zinc/51/40/34/720514034.db2.gz LDZZPIKZHZDMMP-ILXRZTDVSA-N 1 0 445.345 3.903 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)C1 ZINC001164732050 720520972 /nfs/dbraw/zinc/52/09/72/720520972.db2.gz BVTMNFXZDMKNCL-LJQANCHMSA-N 1 0 433.556 3.579 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Oc3ccc(Cl)nc3)CC[C@@H]21 ZINC001164833299 720525228 /nfs/dbraw/zinc/52/52/28/720525228.db2.gz CZVFVLFBBWXSDK-BQFCYCMXSA-N 1 0 425.911 3.734 20 0 IHADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164834570 720533354 /nfs/dbraw/zinc/53/33/54/720533354.db2.gz DYQHJYYYCDFDIZ-QZNHQXDQSA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)COc3ccnc(Cl)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834651 720539151 /nfs/dbraw/zinc/53/91/51/720539151.db2.gz FOGMFBWHRDJKND-ZIFCJYIRSA-N 1 0 439.938 3.777 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)COc3ccnc(Cl)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834649 720539422 /nfs/dbraw/zinc/53/94/22/720539422.db2.gz FOGMFBWHRDJKND-JENIJYKNSA-N 1 0 439.938 3.777 20 0 IHADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842403 720540542 /nfs/dbraw/zinc/54/05/42/720540542.db2.gz XCJYTVQSFVTIJW-LZLYRXPVSA-N 1 0 439.938 3.863 20 0 IHADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164838562 720541651 /nfs/dbraw/zinc/54/16/51/720541651.db2.gz ONFCJPWYXDYPHN-WSTZPKSXSA-N 1 0 445.995 3.794 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837379 720547744 /nfs/dbraw/zinc/54/77/44/720547744.db2.gz MCTHPDALFLYFRA-LLGFUMIMSA-N 1 0 440.979 3.866 20 0 IHADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)s1 ZINC001164842152 720554550 /nfs/dbraw/zinc/55/45/50/720554550.db2.gz WZSDOUDUQSKAQF-HRCADAONSA-N 1 0 431.997 3.622 20 0 IHADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733744 720554881 /nfs/dbraw/zinc/55/48/81/720554881.db2.gz RAAMLBJRHBNZJG-UHFFFAOYSA-N 1 0 432.906 3.683 20 0 IHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164730884 720561181 /nfs/dbraw/zinc/56/11/81/720561181.db2.gz ZWYLTQMYVDSKDF-UHFFFAOYSA-N 1 0 432.906 3.683 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(Cl)nccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836710 720595411 /nfs/dbraw/zinc/59/54/11/720595411.db2.gz GOMWQEGUBBRSPO-YQQAZPJKSA-N 1 0 446.386 3.906 20 0 IHADRO Clc1ccc(OC(Cl)(Cl)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cn1 ZINC001164745727 720595973 /nfs/dbraw/zinc/59/59/73/720595973.db2.gz WCNVLNMILSEZEJ-UHFFFAOYSA-N 1 0 430.767 3.553 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(Cl)nccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836691 720596417 /nfs/dbraw/zinc/59/64/17/720596417.db2.gz GOMWQEGUBBRSPO-HLLBOEOZSA-N 1 0 446.386 3.906 20 0 IHADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841482 720614746 /nfs/dbraw/zinc/61/47/46/720614746.db2.gz SHHPQAFJQYHDDO-MIZPHKNDSA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc4nc(Cl)cnc4cc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841248 720617428 /nfs/dbraw/zinc/61/74/28/720617428.db2.gz RTXJDAMEKRSCBX-TWOQFEAHSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836825 720628278 /nfs/dbraw/zinc/62/82/78/720628278.db2.gz GZGMSSVLXXVFLB-AWRGLXIESA-N 1 0 443.599 3.602 20 0 IHADRO CCCSc1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1OC ZINC001164837514 720644643 /nfs/dbraw/zinc/64/46/43/720644643.db2.gz BYLSJXWAYMQNBG-GBESFXJTSA-N 1 0 430.622 3.562 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164841766 720657419 /nfs/dbraw/zinc/65/74/19/720657419.db2.gz PWJWPFZQBCEILT-JOCHJYFZSA-N 1 0 434.584 3.578 20 0 IHADRO COC(=O)c1ccc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164844218 720671332 /nfs/dbraw/zinc/67/13/32/720671332.db2.gz YRPWEJRXFALJBI-OAQYLSRUSA-N 1 0 446.551 3.676 20 0 IHADRO COC(=O)c1cc(Cl)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841935 720672517 /nfs/dbraw/zinc/67/25/17/720672517.db2.gz RDHKXWLRQWPBQN-LJQANCHMSA-N 1 0 429.948 3.782 20 0 IHADRO COC(=O)c1cccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncc21 ZINC001164844551 720678915 /nfs/dbraw/zinc/67/89/15/720678915.db2.gz UDQNEOMMILOVHD-HXUWFJFHSA-N 1 0 446.551 3.676 20 0 IHADRO COC(=O)c1cccc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncc21 ZINC001164844550 720679684 /nfs/dbraw/zinc/67/96/84/720679684.db2.gz UDQNEOMMILOVHD-FQEVSTJZSA-N 1 0 446.551 3.676 20 0 IHADRO CCOC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(OC)c1 ZINC001164842052 720699311 /nfs/dbraw/zinc/69/93/11/720699311.db2.gz LIEHUYXKFKXSSF-NRFANRHFSA-N 1 0 439.556 3.527 20 0 IHADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164745798 720725754 /nfs/dbraw/zinc/72/57/54/720725754.db2.gz VTJZSGCWVLIBEY-RTWAWAEBSA-N 1 0 438.535 3.737 20 0 IHADRO Fc1ccc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1Cl ZINC001164844969 720741818 /nfs/dbraw/zinc/74/18/18/720741818.db2.gz WFOUCXFYIZHEDD-UHFFFAOYSA-N 1 0 448.880 3.776 20 0 IHADRO FC(F)(Oc1cccc(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842502 720741829 /nfs/dbraw/zinc/74/18/29/720741829.db2.gz FMMMWCUEDBBVPR-UHFFFAOYSA-N 1 0 446.889 3.517 20 0 IHADRO Fc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164746356 720763112 /nfs/dbraw/zinc/76/31/12/720763112.db2.gz XPXWLURRYHHMPE-VQTJNVASSA-N 1 0 442.498 3.568 20 0 IHADRO Fc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164746348 720763257 /nfs/dbraw/zinc/76/32/57/720763257.db2.gz XPXWLURRYHHMPE-PMACEKPBSA-N 1 0 442.498 3.568 20 0 IHADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)s1 ZINC001164745411 720774504 /nfs/dbraw/zinc/77/45/04/720774504.db2.gz VRUPFWWDWBOYSG-MSOLQXFVSA-N 1 0 444.564 3.799 20 0 IHADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742126 720787267 /nfs/dbraw/zinc/78/72/67/720787267.db2.gz CHDWSBYTCVPJJL-DLBZAZTESA-N 1 0 431.874 3.565 20 0 IHADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(Cl)n1 ZINC001164742216 720811456 /nfs/dbraw/zinc/81/14/56/720811456.db2.gz CMJGJRADMHEQPH-YTQUADARSA-N 1 0 436.938 3.559 20 0 IHADRO Clc1cc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)ccn1 ZINC001164745632 720818427 /nfs/dbraw/zinc/81/84/27/720818427.db2.gz XKUCUWSMXNUDRV-FDFHNCONSA-N 1 0 449.990 3.768 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738114 720828938 /nfs/dbraw/zinc/82/89/38/720828938.db2.gz DSPFUXLMLXYHBB-JXALWOEJSA-N 1 0 432.572 3.523 20 0 IHADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739823 720829358 /nfs/dbraw/zinc/82/93/58/720829358.db2.gz IXEKTAMEOKVLLK-YQVWRLOYSA-N 1 0 436.938 3.559 20 0 IHADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743264 720829407 /nfs/dbraw/zinc/82/94/07/720829407.db2.gz RRYKBSSTYNOERD-SFGWALBWSA-N 1 0 437.979 3.563 20 0 IHADRO Clc1cccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164747275 720847839 /nfs/dbraw/zinc/84/78/39/720847839.db2.gz QBYJBQWWFRIOCW-IEIRFRATSA-N 1 0 449.990 3.768 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164859614 720852628 /nfs/dbraw/zinc/85/26/28/720852628.db2.gz UURKCVVFZKGEOL-RPWUZVMVSA-N 1 0 444.579 3.984 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164859616 720852823 /nfs/dbraw/zinc/85/28/23/720852823.db2.gz UURKCVVFZKGEOL-ZEQRLZLVSA-N 1 0 444.579 3.984 20 0 IHADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749068 720867286 /nfs/dbraw/zinc/86/72/86/720867286.db2.gz GRACWHPBOKLLLQ-GJZUVCINSA-N 1 0 448.615 3.509 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4sc(C)c(-c5ccccc5)c43)CC[C@H]2C1 ZINC001164859143 720876208 /nfs/dbraw/zinc/87/62/08/720876208.db2.gz LUDZRJMQFHCIHX-VQTJNVASSA-N 1 0 438.597 3.840 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(C)s4)nc4ccccc43)CC[C@@H]2C1 ZINC001164865271 720879859 /nfs/dbraw/zinc/87/98/59/720879859.db2.gz ZLXDMBBMPCNJFK-NQIIRXRSSA-N 1 0 438.597 3.840 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncnc4c2CCCC4)C3)c1 ZINC001164756282 720885813 /nfs/dbraw/zinc/88/58/13/720885813.db2.gz PBDDNIGDCVRPQS-NVQXNPDNSA-N 1 0 433.600 3.506 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@@H]2C1 ZINC001164857551 720893384 /nfs/dbraw/zinc/89/33/84/720893384.db2.gz ITRYCFHRHOZFSJ-OXQOHEQNSA-N 1 0 443.966 3.722 20 0 IHADRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164757464 720900787 /nfs/dbraw/zinc/90/07/87/720900787.db2.gz VBRZRJPADHDFPX-HYBUGGRVSA-N 1 0 442.991 3.894 20 0 IHADRO Fc1cnc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164756294 720903396 /nfs/dbraw/zinc/90/33/96/720903396.db2.gz PIYLMVJEJWGGSA-RLWLMLJZSA-N 1 0 447.558 3.919 20 0 IHADRO Fc1nc(F)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)n1 ZINC001164748577 720907496 /nfs/dbraw/zinc/90/74/96/720907496.db2.gz HBWYUXHLSIFQLD-VGOFRKELSA-N 1 0 449.933 3.558 20 0 IHADRO CC(C)(C)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164755131 720911334 /nfs/dbraw/zinc/91/13/34/720911334.db2.gz YPAZOPGAKZKRSU-BKMJKUGQSA-N 1 0 435.616 3.924 20 0 IHADRO CC(C)Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164748568 720915783 /nfs/dbraw/zinc/91/57/83/720915783.db2.gz HBRDMNKQGUJIJZ-JYFHCDHNSA-N 1 0 435.616 3.825 20 0 IHADRO COC(=O)c1ccc2nc(Cl)c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nc2c1 ZINC001164860403 720930261 /nfs/dbraw/zinc/93/02/61/720930261.db2.gz QZPBNYWCZWSDOB-CQSZACIVSA-N 1 0 442.951 3.688 20 0 IHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863446 720951634 /nfs/dbraw/zinc/95/16/34/720951634.db2.gz ZYVCDTZNQVGVNX-ZDUSSCGKSA-N 1 0 441.910 3.684 20 0 IHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164861839 720955289 /nfs/dbraw/zinc/95/52/89/720955289.db2.gz ULQSMQXMOONAQX-CYBMUJFWSA-N 1 0 441.910 3.684 20 0 IHADRO COc1cc2nc(Cl)c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc2cc1OC ZINC001164859960 720964261 /nfs/dbraw/zinc/96/42/61/720964261.db2.gz OQYYOKHQDKRFDP-AWEZNQCLSA-N 1 0 444.967 3.918 20 0 IHADRO COC(=O)C[C@H](c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1)C1CC1 ZINC001164861886 720996464 /nfs/dbraw/zinc/99/64/64/720996464.db2.gz RADBPVQSCAXRKY-UWJYYQICSA-N 1 0 425.577 3.756 20 0 IHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856423 721000977 /nfs/dbraw/zinc/00/09/77/721000977.db2.gz CJHUPHGWPLEOLW-CYBMUJFWSA-N 1 0 441.910 3.684 20 0 IHADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164770866 721042535 /nfs/dbraw/zinc/04/25/35/721042535.db2.gz ZIMAJEZCXDTMIA-UHFFFAOYSA-N 1 0 433.556 3.887 20 0 IHADRO Clc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869529 721043839 /nfs/dbraw/zinc/04/38/39/721043839.db2.gz UCTAUAXDWMJEAQ-IAGOWNOFSA-N 1 0 430.339 3.811 20 0 IHADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869949 721053293 /nfs/dbraw/zinc/05/32/93/721053293.db2.gz USIDBZSTDKRXHV-JKSUJKDBSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869947 721053702 /nfs/dbraw/zinc/05/37/02/721053702.db2.gz USIDBZSTDKRXHV-HOTGVXAUSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866961 721080140 /nfs/dbraw/zinc/08/01/40/721080140.db2.gz VPFIKOMTCDZCJX-ZWKOTPCHSA-N 1 0 445.901 3.703 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)C[C@@H]3C2)cn1 ZINC001164771598 721081619 /nfs/dbraw/zinc/08/16/19/721081619.db2.gz SGGNPMPLCOWENM-HOTGVXAUSA-N 1 0 432.906 3.520 20 0 IHADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865784 721090048 /nfs/dbraw/zinc/09/00/48/721090048.db2.gz PMEDDAKKQBOPAY-HZPDHXFCSA-N 1 0 433.890 3.636 20 0 IHADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865782 721090612 /nfs/dbraw/zinc/09/06/12/721090612.db2.gz PMEDDAKKQBOPAY-CVEARBPZSA-N 1 0 433.890 3.636 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)C[C@H]3C2)cn1 ZINC001164763010 721094170 /nfs/dbraw/zinc/09/41/70/721094170.db2.gz FVHXYSFSTYEWLQ-ZIAGYGMSSA-N 1 0 438.935 3.581 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C[C@@H]3C2)cn1 ZINC001164771334 721117560 /nfs/dbraw/zinc/11/75/60/721117560.db2.gz SDYHCVZFHYYJNJ-CVEARBPZSA-N 1 0 432.906 3.520 20 0 IHADRO Clc1ccc2[nH]c3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c3c2c1 ZINC001164877012 721132521 /nfs/dbraw/zinc/13/25/21/721132521.db2.gz NUMTWPOJPAOLDJ-ZWKOTPCHSA-N 1 0 434.931 3.639 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880316 721133071 /nfs/dbraw/zinc/13/30/71/721133071.db2.gz VWBZLYHESDFLIN-MSOLQXFVSA-N 1 0 426.952 3.540 20 0 IHADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164872753 721153793 /nfs/dbraw/zinc/15/37/93/721153793.db2.gz IFXKJKOYZQYMQX-SJORKVTESA-N 1 0 445.901 3.703 20 0 IHADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871578 721157119 /nfs/dbraw/zinc/15/71/19/721157119.db2.gz FUCOBLVSMMPFGW-GOTSBHOMSA-N 1 0 429.568 3.710 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164764948 721161182 /nfs/dbraw/zinc/16/11/82/721161182.db2.gz INAPEIFDCZOEHG-CVEARBPZSA-N 1 0 432.906 3.520 20 0 IHADRO Fc1ccc(COc2cccnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164874559 721161294 /nfs/dbraw/zinc/16/12/94/721161294.db2.gz KQXXJFXNHQWYCD-DHIUTWEWSA-N 1 0 434.515 3.674 20 0 IHADRO c1ccc(CSc2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164871556 721166652 /nfs/dbraw/zinc/16/66/52/721166652.db2.gz FGRSZTUIXAKXNV-YADHBBJMSA-N 1 0 433.581 3.644 20 0 IHADRO c1ccc(SCc2nccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164870978 721183319 /nfs/dbraw/zinc/18/33/19/721183319.db2.gz CTYWMZFSHKBOOD-RTWAWAEBSA-N 1 0 433.581 3.644 20 0 IHADRO Clc1ncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Oc2ccccc2)n1 ZINC001164881171 721184426 /nfs/dbraw/zinc/18/44/26/721184426.db2.gz ZMXCQZUKEFKPIW-AZUAARDMSA-N 1 0 437.931 3.797 20 0 IHADRO FC(F)(N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164871763 721190888 /nfs/dbraw/zinc/19/08/88/721190888.db2.gz ZWYZDIDCLPQFQX-OALUTQOASA-N 1 0 434.918 3.730 20 0 IHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871387 721197807 /nfs/dbraw/zinc/19/78/07/721197807.db2.gz YVUUBVXTSZTSEF-ROUUACIJSA-N 1 0 442.922 3.911 20 0 IHADRO Cc1nc2sc3c(c2c(N2C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C2)n1)CCCCC3 ZINC001164762689 721201332 /nfs/dbraw/zinc/20/13/32/721201332.db2.gz DDKGXXMBMHLMKL-OALUTQOASA-N 1 0 436.629 3.960 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C[C@H]3C2)cn1 ZINC001164767765 721205789 /nfs/dbraw/zinc/20/57/89/721205789.db2.gz KMMKRKMKZVYRHE-JKSUJKDBSA-N 1 0 448.905 3.627 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164766932 721207680 /nfs/dbraw/zinc/20/76/80/721207680.db2.gz JPYJFMWJBQWFEZ-CVEARBPZSA-N 1 0 432.906 3.520 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001164763171 721232951 /nfs/dbraw/zinc/23/29/51/721232951.db2.gz MGTGQQMHWJJEEZ-KGLIPLIRSA-N 1 0 449.855 3.991 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001164763172 721233644 /nfs/dbraw/zinc/23/36/44/721233644.db2.gz MGTGQQMHWJJEEZ-UONOGXRCSA-N 1 0 449.855 3.991 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C[C@H]3C2)cn1 ZINC001164763291 721240849 /nfs/dbraw/zinc/24/08/49/721240849.db2.gz NDYPMLJZLYKKDO-ZIAGYGMSSA-N 1 0 432.302 3.505 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164770674 721277068 /nfs/dbraw/zinc/27/70/68/721277068.db2.gz WQRHLNPILRNXMF-HYBUGGRVSA-N 1 0 432.572 3.935 20 0 IHADRO Cc1cccc(N2CCC[C@@]3(C2)CN(c2cccc(OCC[NH+]4CCCC4)n2)CCO3)c1 ZINC001164775338 721304949 /nfs/dbraw/zinc/30/49/49/721304949.db2.gz VWHRPGWZNZDQMK-AREMUKBSSA-N 1 0 436.600 3.740 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccncc4)n3)C2)C1 ZINC001164782284 721365670 /nfs/dbraw/zinc/36/56/70/721365670.db2.gz MEWKORXIZPKLEW-VWLOTQADSA-N 1 0 448.571 3.571 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(COC4CCC4)cn3)C2)C1 ZINC001164787734 721371982 /nfs/dbraw/zinc/37/19/82/721371982.db2.gz ZOXQPWYAWQKSEP-RUZDIDTESA-N 1 0 440.588 3.875 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc5cc(F)ccc54)C3)O2)CC1 ZINC001164891864 721379882 /nfs/dbraw/zinc/37/98/82/721379882.db2.gz QZMNJPFRGPQCKJ-WMZHIEFXSA-N 1 0 432.971 3.793 20 0 IHADRO COc1cccc2c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)cc(Cl)nc12 ZINC001164894087 721380870 /nfs/dbraw/zinc/38/08/70/721380870.db2.gz XMEZEPAIFKJQHQ-KOSHJBKYSA-N 1 0 445.007 3.662 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164890980 721384106 /nfs/dbraw/zinc/38/41/06/721384106.db2.gz PSWKTBFYSSXQCM-DNVCBOLYSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)C3)O2)CC1 ZINC001164888552 721389563 /nfs/dbraw/zinc/38/95/63/721389563.db2.gz KBWADQRUUPNJKA-QPPBQGQZSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4-c4ccccc4)C3)O2)CC1 ZINC001164893010 721413346 /nfs/dbraw/zinc/41/33/46/721413346.db2.gz ZVKOTZAHXBKDFK-RDPSFJRHSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1c(Cl)ccc2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164896204 721427756 /nfs/dbraw/zinc/42/77/56/721427756.db2.gz RBMBIURTDSKSSP-YKSBVNFPSA-N 1 0 429.008 3.962 20 0 IHADRO CCCCOc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164893679 721429563 /nfs/dbraw/zinc/42/95/63/721429563.db2.gz JYFPFFLTLOQLJU-AUSIDOKSSA-N 1 0 437.028 3.679 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897704 721430019 /nfs/dbraw/zinc/43/00/19/721430019.db2.gz UNCGACTXXQSEBV-DHLKQENFSA-N 1 0 427.637 3.598 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1Cl)CC2 ZINC001164790580 721451426 /nfs/dbraw/zinc/45/14/26/721451426.db2.gz ZUBQNKNPFUNQFC-MRXNPFEDSA-N 1 0 429.392 3.517 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc5cccc(F)c54)C3)O2)CC1 ZINC001164893316 721453445 /nfs/dbraw/zinc/45/34/45/721453445.db2.gz ZBLOMAZUYNGOOA-WZONZLPQSA-N 1 0 432.971 3.793 20 0 IHADRO CNC(=O)N[C@H]1CC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c2ccc(C)cc21 ZINC001164898843 721492435 /nfs/dbraw/zinc/49/24/35/721492435.db2.gz IIPFPEBDKPINEG-QHCPKHFHSA-N 1 0 433.600 3.898 20 0 IHADRO COc1cc2ncc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2cc1OC ZINC001164792489 721494866 /nfs/dbraw/zinc/49/48/66/721494866.db2.gz PPIVQYCAWBCXPR-UHFFFAOYSA-N 1 0 433.556 3.923 20 0 IHADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164901225 721495567 /nfs/dbraw/zinc/49/55/67/721495567.db2.gz UPYPTLXHXOXBNI-RYQLBKOJSA-N 1 0 444.008 3.688 20 0 IHADRO COC(=O)c1c(Cl)cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1OC ZINC001164796681 721498452 /nfs/dbraw/zinc/49/84/52/721498452.db2.gz VFEXOTUXCVXBGZ-UHFFFAOYSA-N 1 0 444.963 3.806 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccnc4C4SCCCS4)CC[N@@H+]3C2)c1 ZINC001164901040 721525568 /nfs/dbraw/zinc/52/55/68/721525568.db2.gz WDQNNLYGJRGUND-SJLPKXTDSA-N 1 0 432.590 3.826 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CC[N@@H+]3C2)c1 ZINC001164897196 721526479 /nfs/dbraw/zinc/52/64/79/721526479.db2.gz FIWCRIZQKCXONP-IEBWSBKVSA-N 1 0 425.895 3.673 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903442 721533159 /nfs/dbraw/zinc/53/31/59/721533159.db2.gz COVWBVKZHWUEOF-NVXWUHKLSA-N 1 0 428.895 3.773 20 0 IHADRO COc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164908326 721538088 /nfs/dbraw/zinc/53/80/88/721538088.db2.gz PTKNJVMBTOMTJW-NVXWUHKLSA-N 1 0 428.895 3.773 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)cc3ncnc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164801053 721572209 /nfs/dbraw/zinc/57/22/09/721572209.db2.gz GHPBEZPBIMPCIC-FBBABVLZSA-N 1 0 427.911 3.686 20 0 IHADRO CCOC(=O)/C=C/c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906615 721585252 /nfs/dbraw/zinc/58/52/52/721585252.db2.gz NQKDCKGLKBTEJS-YVSHKSEASA-N 1 0 442.510 3.791 20 0 IHADRO F[C@H](Oc1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906851 721703675 /nfs/dbraw/zinc/70/36/75/721703675.db2.gz ORVSRYYLRSZQFV-RBUKOAKNSA-N 1 0 426.870 3.995 20 0 IHADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904359 721719278 /nfs/dbraw/zinc/71/92/78/721719278.db2.gz CGNDNICNAYLQRP-FUMRIQNTSA-N 1 0 442.510 3.709 20 0 IHADRO C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913078 721732083 /nfs/dbraw/zinc/73/20/83/721732083.db2.gz SFSRCMSPARMSFT-WMZHIEFXSA-N 1 0 442.558 3.846 20 0 IHADRO [O-][n+]1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1Cl ZINC001164912625 721738606 /nfs/dbraw/zinc/73/86/06/721738606.db2.gz OYOSLRFWYMTJFH-GOSISDBHSA-N 1 0 444.860 3.651 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(Cl)nc2Oc2ccc(F)cc2)CC1 ZINC001165011072 721746046 /nfs/dbraw/zinc/74/60/46/721746046.db2.gz UCOXFOPNRFSPLQ-UHFFFAOYSA-N 1 0 447.942 3.584 20 0 IHADRO COc1cc2c(cc(Cl)nc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)cc1F ZINC001165012376 721750499 /nfs/dbraw/zinc/75/04/99/721750499.db2.gz GYKOEXVIARZURP-UHFFFAOYSA-N 1 0 434.943 3.559 20 0 IHADRO COc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165027168 721805105 /nfs/dbraw/zinc/80/51/05/721805105.db2.gz TZYWMHONVANZDV-WEYGHZABSA-N 1 0 433.556 3.779 20 0 IHADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@]5(C[C@H](Oc6cccnc6)CO5)C4)ccc3C2)cc1 ZINC001164915036 721805670 /nfs/dbraw/zinc/80/56/70/721805670.db2.gz HGCNZMGQMXYWAA-RPLLCQBOSA-N 1 0 442.563 3.852 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@H]21 ZINC001165019094 721824172 /nfs/dbraw/zinc/82/41/72/721824172.db2.gz AVYRMKNCIKWDPC-FVQBIDKESA-N 1 0 447.921 3.635 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@@H]21 ZINC001165022365 721824381 /nfs/dbraw/zinc/82/43/81/721824381.db2.gz HABJEYDOTDAXJD-VNQPRFMTSA-N 1 0 447.921 3.635 20 0 IHADRO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165019904 721831340 /nfs/dbraw/zinc/83/13/40/721831340.db2.gz CKPGAFDPBXUMNQ-QILLFSRXSA-N 1 0 437.922 3.815 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3cc(F)c(OC)cc32)CC1 ZINC001165021217 721842558 /nfs/dbraw/zinc/84/25/58/721842558.db2.gz IGUGSQBKLVWXKS-UHFFFAOYSA-N 1 0 440.519 3.896 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccnc(-c3nccs3)n2)CC1 ZINC001165031098 721845181 /nfs/dbraw/zinc/84/51/81/721845181.db2.gz RKWFSSMXBZLOPE-UHFFFAOYSA-N 1 0 425.558 3.718 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164928259 721866202 /nfs/dbraw/zinc/86/62/02/721866202.db2.gz XZPDWLPWCXFVNQ-HZPDHXFCSA-N 1 0 430.330 3.696 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923128 721866708 /nfs/dbraw/zinc/86/67/08/721866708.db2.gz IHQHRBNCFNBAHP-GJZGRUSLSA-N 1 0 430.330 3.696 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164930329 721881075 /nfs/dbraw/zinc/88/10/75/721881075.db2.gz CVSCTYXFIAPLHB-HZPDHXFCSA-N 1 0 427.952 3.618 20 0 IHADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164934580 721884451 /nfs/dbraw/zinc/88/44/51/721884451.db2.gz SEFHKMZBIHHTOG-WOJBJXKFSA-N 1 0 437.613 3.719 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164933994 721890151 /nfs/dbraw/zinc/89/01/51/721890151.db2.gz NVUTVPVZDUZRMK-RBUKOAKNSA-N 1 0 439.913 3.696 20 0 IHADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nc21 ZINC001165045473 721959021 /nfs/dbraw/zinc/95/90/21/721959021.db2.gz VEINWCIHWHNLSP-UHFFFAOYSA-N 1 0 426.520 3.926 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc1 ZINC001164948294 721962061 /nfs/dbraw/zinc/96/20/61/721962061.db2.gz SVMCNSRSKQFDFE-SGNDLWITSA-N 1 0 439.604 3.713 20 0 IHADRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21 ZINC001164952493 722004640 /nfs/dbraw/zinc/00/46/40/722004640.db2.gz MXJKXMYQKQMVTK-RTWAWAEBSA-N 1 0 429.568 3.733 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3Oc2ncccc2F)nc1 ZINC001164960982 722030098 /nfs/dbraw/zinc/03/00/98/722030098.db2.gz VHHYRKJTRIYUGC-JFYQVNSESA-N 1 0 426.536 3.978 20 0 IHADRO Clc1ccc(CN2CCCC2)c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)n1 ZINC001164958885 722051290 /nfs/dbraw/zinc/05/12/90/722051290.db2.gz HLRKVPPKXBGTSB-JUXOCIIHSA-N 1 0 427.980 3.631 20 0 IHADRO Fc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1Cl ZINC001164961187 722053465 /nfs/dbraw/zinc/05/34/65/722053465.db2.gz UUBGPBLODTXSCH-UHFFFAOYSA-N 1 0 440.897 3.933 20 0 IHADRO Fc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164962308 722060350 /nfs/dbraw/zinc/06/03/50/722060350.db2.gz QPVQVXHKYZZMDF-UHFFFAOYSA-N 1 0 433.531 3.797 20 0 IHADRO Fc1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164961511 722060726 /nfs/dbraw/zinc/06/07/26/722060726.db2.gz LCFMGGCJLJARAX-UHFFFAOYSA-N 1 0 433.531 3.797 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)nc1 ZINC001164974176 722090808 /nfs/dbraw/zinc/09/08/08/722090808.db2.gz NKPMCRMDUOPVED-KSEOMHKRSA-N 1 0 440.613 3.628 20 0 IHADRO CSc1nc2sccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986239 722103490 /nfs/dbraw/zinc/10/34/90/722103490.db2.gz YNVOYPNEVHIZJZ-AEFFLSMTSA-N 1 0 427.599 3.536 20 0 IHADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974085 722115337 /nfs/dbraw/zinc/11/53/37/722115337.db2.gz ILADKVDEGPLJTI-WBVHZDCISA-N 1 0 426.870 3.541 20 0 IHADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979669 722137805 /nfs/dbraw/zinc/13/78/05/722137805.db2.gz LSDGEKKSBKTKQH-PZJWPPBQSA-N 1 0 439.560 3.551 20 0 IHADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C2)n1)CCC3 ZINC001164983810 722138641 /nfs/dbraw/zinc/13/86/41/722138641.db2.gz VFBVSARZKJGMSB-UYAOXDASSA-N 1 0 435.597 3.611 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977008 722140150 /nfs/dbraw/zinc/14/01/50/722140150.db2.gz HNLZJEPFTVWVPC-MOPGFXCFSA-N 1 0 429.996 3.858 20 0 IHADRO Fc1ccc(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164984205 722146337 /nfs/dbraw/zinc/14/63/37/722146337.db2.gz WJPACMMWSPHWGY-SIKLNZKXSA-N 1 0 435.503 3.530 20 0 IHADRO Fc1ccc(COc2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164983798 722146942 /nfs/dbraw/zinc/14/69/42/722146942.db2.gz UXZKQHOMRKTZCY-WIOPSUGQSA-N 1 0 448.542 3.922 20 0 IHADRO c1ccc(CSc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164985455 722149594 /nfs/dbraw/zinc/14/95/94/722149594.db2.gz ZNJRUWMAGVCANO-XZOQPEGZSA-N 1 0 447.608 3.891 20 0 IHADRO Fc1ccc2nc(C(F)F)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974670 722152548 /nfs/dbraw/zinc/15/25/48/722152548.db2.gz OUBSCWIHZBQOLD-UZLBHIALSA-N 1 0 443.473 3.829 20 0 IHADRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccccc1F ZINC001164971578 722154945 /nfs/dbraw/zinc/15/49/45/722154945.db2.gz BXHSKBXQOMAWTQ-NFBKMPQASA-N 1 0 433.531 3.713 20 0 IHADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccccc1I)C(F)(F)F ZINC000734843251 1126106677 /nfs/dbraw/zinc/10/66/77/1126106677.db2.gz IBYYTHQAYXKBGH-JKSUJKDBSA-N 1 0 435.227 3.915 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC001176586613 1126149352 /nfs/dbraw/zinc/14/93/52/1126149352.db2.gz DCWSLOXDCLMNAY-JOCHJYFZSA-N 1 0 425.510 3.749 20 0 IHADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)cc3)cs2)cc1 ZINC001198218406 1126154574 /nfs/dbraw/zinc/15/45/74/1126154574.db2.gz GNQCAIMCWQDTLS-HSZRJFAPSA-N 1 0 426.538 3.689 20 0 IHADRO CCOC(=O)Nc1ccc2c(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)cc(=O)oc2c1 ZINC001198218620 1126154586 /nfs/dbraw/zinc/15/45/86/1126154586.db2.gz HYCMEUYRYYZOKA-HSZRJFAPSA-N 1 0 428.460 3.584 20 0 IHADRO COC(=O)c1cccc2c(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)ccnc12 ZINC001206858015 1126159938 /nfs/dbraw/zinc/15/99/38/1126159938.db2.gz ZFKKLGOSEJZXJX-JOCHJYFZSA-N 1 0 443.341 3.867 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cncc(-c3cc(F)ccc3OC)c2)cc1OC ZINC001308116444 1126163171 /nfs/dbraw/zinc/16/31/71/1126163171.db2.gz FAVLMAFQTRRNCJ-RUZDIDTESA-N 1 0 440.515 3.997 20 0 IHADRO OC[C@]1([NH2+]Cc2ccn(-c3c(F)cccc3F)n2)CCc2cc(Br)ccc2C1 ZINC001473641194 1126198058 /nfs/dbraw/zinc/19/80/58/1126198058.db2.gz IGRPEVZIIXVHDO-NRFANRHFSA-N 1 0 448.311 3.923 20 0 IHADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(C)c(I)cc1C ZINC001473749905 1126198531 /nfs/dbraw/zinc/19/85/31/1126198531.db2.gz FMJOQEYOXFSQBK-HXUWFJFHSA-N 1 0 439.337 4.000 20 0 IHADRO Cn1cc(-c2ccc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cc2)cn1 ZINC001461632273 1126195503 /nfs/dbraw/zinc/19/55/03/1126195503.db2.gz JKYMQZFBNLXTHX-QFIPXVFZSA-N 1 0 426.358 3.859 20 0 IHADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@H](CO)Cc2ccccc2)cc1Br ZINC001474116387 1126201878 /nfs/dbraw/zinc/20/18/78/1126201878.db2.gz SBBWCHYVGUANDR-PBHICJAKSA-N 1 0 426.326 3.963 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001620624082 1126241410 /nfs/dbraw/zinc/24/14/10/1126241410.db2.gz OBOVBCNQNLDNMK-GOSISDBHSA-N 1 0 448.329 3.529 20 0 IHADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cccc(I)c1)C(F)(F)F ZINC001620789951 1126242769 /nfs/dbraw/zinc/24/27/69/1126242769.db2.gz PBRDIIDYCYJUHJ-CVEARBPZSA-N 1 0 435.227 3.915 20 0 IHADRO OC[C@]1([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CCc2cc(Br)ccc2C1 ZINC001621004700 1126244223 /nfs/dbraw/zinc/24/42/23/1126244223.db2.gz GYBHMZLNOXKHIA-VXKWHMMOSA-N 1 0 432.358 3.626 20 0 IHADRO FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164414997 718885174 /nfs/dbraw/zinc/88/51/74/718885174.db2.gz DCVWHAMWINKKTF-UHFFFAOYSA-N 1 0 446.889 3.517 20 0 IHADRO Brc1cccc2c([C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)ncn21 ZINC001164417498 718890396 /nfs/dbraw/zinc/89/03/96/718890396.db2.gz LBACNDYNOWLOGG-GOSISDBHSA-N 1 0 442.361 3.666 20 0 IHADRO CCOC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1C(=O)OCC ZINC001164627475 719113721 /nfs/dbraw/zinc/11/37/21/719113721.db2.gz KWINGJTXHNQICW-KNQAVFIVSA-N 1 0 437.540 3.536 20 0 IHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@H](CF)[C@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164620594 719122784 /nfs/dbraw/zinc/12/27/84/719122784.db2.gz IROOXPTZIGDSLQ-SOLBZPMBSA-N 1 0 443.636 3.925 20 0 IHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164637175 719237268 /nfs/dbraw/zinc/23/72/68/719237268.db2.gz UMISKNYKRVDHMJ-HOTGVXAUSA-N 1 0 445.633 3.691 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](N3CCCC3=O)C2)nc1 ZINC001164649747 719305855 /nfs/dbraw/zinc/30/58/55/719305855.db2.gz XPDOHRVDCCWERL-XOEOCAAJSA-N 1 0 426.605 3.625 20 0 IHADRO COc1cc(Oc2ccnc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164674278 719421660 /nfs/dbraw/zinc/42/16/60/719421660.db2.gz VQRQDXBQLQQPKK-WIOPSUGQSA-N 1 0 447.535 3.981 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164667492 719442307 /nfs/dbraw/zinc/44/23/07/719442307.db2.gz HCTIQJBVLWJNFJ-UXHICEINSA-N 1 0 429.549 3.940 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164668201 719443726 /nfs/dbraw/zinc/44/37/26/719443726.db2.gz IGVHHOASWFFYCU-ZWKOTPCHSA-N 1 0 438.622 3.992 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164677483 719561693 /nfs/dbraw/zinc/56/16/93/719561693.db2.gz OFWXTSAIFHZFJW-GOTSBHOMSA-N 1 0 438.616 3.650 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4occc43)CC2)c2ccccc21 ZINC001164682908 719655619 /nfs/dbraw/zinc/65/56/19/719655619.db2.gz UAQFLBDDORWLLM-LJQANCHMSA-N 1 0 432.568 3.921 20 0 IHADRO Cc1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164679934 719657019 /nfs/dbraw/zinc/65/70/19/719657019.db2.gz ALMJIXGUVYXADG-SFHVURJKSA-N 1 0 442.007 3.532 20 0 IHADRO Cc1nnc(Cl)cc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681009 719662649 /nfs/dbraw/zinc/66/26/49/719662649.db2.gz LCNVXKVDPOTUNY-GOSISDBHSA-N 1 0 442.007 3.532 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4c(n3)CCC4)CC2)c2ccccc21 ZINC001164681421 719664639 /nfs/dbraw/zinc/66/46/39/719664639.db2.gz OHVPMLJVLDUNIC-OAQYLSRUSA-N 1 0 432.612 3.664 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(C(C)(C)C)n3)CC2)c2ccccc21 ZINC001164687199 719666288 /nfs/dbraw/zinc/66/62/88/719666288.db2.gz ZYJPKXKJMJWIME-FQEVSTJZSA-N 1 0 449.643 3.868 20 0 IHADRO CSc1cccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681209 719676492 /nfs/dbraw/zinc/67/64/92/719676492.db2.gz KRQAXHRSFNWHSX-LJQANCHMSA-N 1 0 438.641 3.897 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)CC2 ZINC001164690040 719743533 /nfs/dbraw/zinc/74/35/33/719743533.db2.gz QKYSMVGGOHBIAV-UHFFFAOYSA-N 1 0 435.597 3.848 20 0 IHADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)cc1 ZINC001164689316 719756388 /nfs/dbraw/zinc/75/63/88/719756388.db2.gz APGJGMYEQMTFEO-UHFFFAOYSA-N 1 0 443.979 3.666 20 0 IHADRO Fc1cccnc1N(c1nc(Cl)ccc1CN1CCCC1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690748 719761332 /nfs/dbraw/zinc/76/13/32/719761332.db2.gz HTTQRCPUBUOBOB-VGSWGCGISA-N 1 0 431.943 3.524 20 0 IHADRO COC(=O)c1cccc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc21 ZINC001164707723 719901359 /nfs/dbraw/zinc/90/13/59/719901359.db2.gz WIRYLXNTQYJOPM-UHFFFAOYSA-N 1 0 437.565 3.954 20 0 IHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc(-c5nc(C6CC6)no5)ccn4)CC3)C2)c1 ZINC001164707878 719904365 /nfs/dbraw/zinc/90/43/65/719904365.db2.gz XXHPMOUBVALRDQ-UHFFFAOYSA-N 1 0 437.569 3.942 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164712962 720100896 /nfs/dbraw/zinc/10/08/96/720100896.db2.gz ZGROUEVRMQLCAC-SFHVURJKSA-N 1 0 427.980 3.521 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cccc(OC)c3n1)CC2 ZINC001164719437 720120889 /nfs/dbraw/zinc/12/08/89/720120889.db2.gz WSUIJXNZBOVUJJ-OAQYLSRUSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164807954 720121514 /nfs/dbraw/zinc/12/15/14/720121514.db2.gz DASBNKVSPCFUOK-HYBUGGRVSA-N 1 0 442.991 3.894 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164714380 720136233 /nfs/dbraw/zinc/13/62/33/720136233.db2.gz WQOVOSHJYIMRCI-QGZVFWFLSA-N 1 0 434.009 3.754 20 0 IHADRO C=Cc1nc(Cl)nc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1OC ZINC001164711304 720139656 /nfs/dbraw/zinc/13/96/56/720139656.db2.gz HDKPNRHUAGKUTM-SFHVURJKSA-N 1 0 443.979 3.684 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)C2 ZINC001164815065 720191481 /nfs/dbraw/zinc/19/14/81/720191481.db2.gz HTUBQTBQTQHXJG-AUSIDOKSSA-N 1 0 427.980 3.685 20 0 IHADRO Cc1cccc2cc(Cl)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164716673 720204256 /nfs/dbraw/zinc/20/42/56/720204256.db2.gz RHBTUHQHFITBQD-LJQANCHMSA-N 1 0 440.979 3.541 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164814637 720230125 /nfs/dbraw/zinc/23/01/25/720230125.db2.gz ZUKIKLXNHGALBF-UHFFFAOYSA-N 1 0 441.963 3.704 20 0 IHADRO Cc1ccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC001164827971 720315169 /nfs/dbraw/zinc/31/51/69/720315169.db2.gz YULBWHKLLRGKTQ-UXHICEINSA-N 1 0 427.980 3.503 20 0 IHADRO CC(C)c1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)(C)C)n1 ZINC001164823473 720345233 /nfs/dbraw/zinc/34/52/33/720345233.db2.gz GHNDGLOIWIUGBM-SFTDATJTSA-N 1 0 427.637 3.809 20 0 IHADRO CC(C)c1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C(C)(C)C)n1 ZINC001164824211 720345383 /nfs/dbraw/zinc/34/53/83/720345383.db2.gz HPQKHEPDVMXFCM-PMACEKPBSA-N 1 0 427.637 3.809 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831663 720350691 /nfs/dbraw/zinc/35/06/91/720350691.db2.gz ZLIGNFZJJQTYBH-RTBURBONSA-N 1 0 434.028 3.548 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831658 720350823 /nfs/dbraw/zinc/35/08/23/720350823.db2.gz ZLIGNFZJJQTYBH-MOPGFXCFSA-N 1 0 434.028 3.548 20 0 IHADRO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164723859 720366433 /nfs/dbraw/zinc/36/64/33/720366433.db2.gz HTGXYZLKCPEWJR-QZTJIDSGSA-N 1 0 425.920 3.549 20 0 IHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725314 720486628 /nfs/dbraw/zinc/48/66/28/720486628.db2.gz JNULOXPJGNNCDJ-LEWJYISDSA-N 1 0 445.945 3.905 20 0 IHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725315 720487474 /nfs/dbraw/zinc/48/74/74/720487474.db2.gz JNULOXPJGNNCDJ-NHCUHLMSSA-N 1 0 445.945 3.905 20 0 IHADRO Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164726370 720495339 /nfs/dbraw/zinc/49/53/39/720495339.db2.gz LMPNLYGSCYVYFY-PXDATVDWSA-N 1 0 440.563 3.541 20 0 IHADRO C[N@H+](Cc1ccc(N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730192 720496990 /nfs/dbraw/zinc/49/69/90/720496990.db2.gz SSORTUNUFNGNSY-NLFFAJNJSA-N 1 0 440.563 3.539 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc(Cl)cc3-c3ccncc3)CC[C@@H]21 ZINC001164841731 720517337 /nfs/dbraw/zinc/51/73/37/720517337.db2.gz ZUCZNOZRSINMOQ-ZJOUEHCJSA-N 1 0 437.979 3.766 20 0 IHADRO CSCc1nc2sc3c(c2c(N2Cc4nccn4C[C@@H](C[NH+](C)C)C2)n1)CCCC3 ZINC001164732846 720524539 /nfs/dbraw/zinc/52/45/39/720524539.db2.gz FYCDWWLSRDFYKG-OAHLLOKOSA-N 1 0 442.658 3.828 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)C1 ZINC001164735521 720526227 /nfs/dbraw/zinc/52/62/27/720526227.db2.gz ZCMOKXZINQMBQR-CYBMUJFWSA-N 1 0 438.935 3.798 20 0 IHADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c1 ZINC001164836624 720534782 /nfs/dbraw/zinc/53/47/82/720534782.db2.gz KKPMXRRGIMDNEY-MQSCRBSSSA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(F)cccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840809 720534848 /nfs/dbraw/zinc/53/48/48/720534848.db2.gz UAJHIWJPVNRGPK-JTDSTZFVSA-N 1 0 428.943 3.997 20 0 IHADRO CSc1nc2ccsc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834639 720535703 /nfs/dbraw/zinc/53/57/03/720535703.db2.gz FKMOLOUJGYPXIS-XYJFISCASA-N 1 0 428.631 3.988 20 0 IHADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccccc21 ZINC001164837365 720540605 /nfs/dbraw/zinc/54/06/05/720540605.db2.gz MBGMVRNFPBGERN-MZLICYQSSA-N 1 0 447.583 3.986 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)OC(C)(C)C)cn3)CC[C@@H]21 ZINC001164836356 720543326 /nfs/dbraw/zinc/54/33/26/720543326.db2.gz JRDQOPAHPBPASY-HKBOAZHASA-N 1 0 425.577 3.611 20 0 IHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001164736062 720545594 /nfs/dbraw/zinc/54/55/94/720545594.db2.gz UXFQEMDGRSGZOH-CQSZACIVSA-N 1 0 431.911 3.583 20 0 IHADRO COc1cc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1OC ZINC001164838953 720561367 /nfs/dbraw/zinc/56/13/67/720561367.db2.gz OYKSYHLPKMBJIW-RZUBCFFCSA-N 1 0 435.572 3.826 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)COc3cccc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839142 720565694 /nfs/dbraw/zinc/56/56/94/720565694.db2.gz PPOHMWNFQKBIKE-FGTMMUONSA-N 1 0 439.938 3.777 20 0 IHADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836353 720568421 /nfs/dbraw/zinc/56/84/21/720568421.db2.gz JPTYXEBVAJRHAF-TXTKFYIRSA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC[C@@H]21 ZINC001164835155 720584020 /nfs/dbraw/zinc/58/40/20/720584020.db2.gz AEIHOZZGMVIGAS-ILXRZTDVSA-N 1 0 442.967 3.538 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(F)cc4ncnc(Cl)c43)CC[C@@H]21 ZINC001164841206 720585714 /nfs/dbraw/zinc/58/57/14/720585714.db2.gz RRSWUSIZQMBIOX-IEZWGBDMSA-N 1 0 428.943 3.997 20 0 IHADRO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836275 720613405 /nfs/dbraw/zinc/61/34/05/720613405.db2.gz FOPLVUJERITQEI-SXWKCWPCSA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC[C@@H]21 ZINC001164841643 720615118 /nfs/dbraw/zinc/61/51/18/720615118.db2.gz UABQQCQSTWDUOP-VYDXJSESSA-N 1 0 449.937 3.731 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@@H]21 ZINC001164840606 720618249 /nfs/dbraw/zinc/61/82/49/720618249.db2.gz PXRJMIXJGSNZHU-CBQOVEMMSA-N 1 0 436.535 3.982 20 0 IHADRO CC(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2)n1 ZINC001164835998 720626510 /nfs/dbraw/zinc/62/65/10/720626510.db2.gz DTPJMCHGQPWGJI-QHAWAJNXSA-N 1 0 435.576 3.829 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)CC[C@@H]21 ZINC001164836829 720627189 /nfs/dbraw/zinc/62/71/89/720627189.db2.gz GZGMSSVLXXVFLB-HFMPRLQTSA-N 1 0 443.599 3.602 20 0 IHADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737309 720678765 /nfs/dbraw/zinc/67/87/65/720678765.db2.gz FKFNUQLYUHVCSU-SJORKVTESA-N 1 0 431.874 3.565 20 0 IHADRO COC(=O)c1cc2ccncc2nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843331 720694809 /nfs/dbraw/zinc/69/48/09/720694809.db2.gz OASYEYJGBDSPHO-OAQYLSRUSA-N 1 0 446.551 3.676 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164837703 720703206 /nfs/dbraw/zinc/70/32/06/720703206.db2.gz GYIOZOKVKASRTM-FQEVSTJZSA-N 1 0 433.531 3.938 20 0 IHADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741814 720727169 /nfs/dbraw/zinc/72/71/69/720727169.db2.gz NBNGMRZMLYAGCX-ZIAGYGMSSA-N 1 0 446.338 3.682 20 0 IHADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741810 720727483 /nfs/dbraw/zinc/72/74/83/720727483.db2.gz NBNGMRZMLYAGCX-KGLIPLIRSA-N 1 0 446.338 3.682 20 0 IHADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164737228 720764398 /nfs/dbraw/zinc/76/43/98/720764398.db2.gz BCULWHMLMMCIKL-VQTJNVASSA-N 1 0 442.498 3.568 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164737365 720821561 /nfs/dbraw/zinc/82/15/61/720821561.db2.gz AJTOVBZPDKBXFM-XYJFISCASA-N 1 0 444.008 3.624 20 0 IHADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739256 720829946 /nfs/dbraw/zinc/82/99/46/720829946.db2.gz HWSFNHUKLBEZPD-KCZVDYSFSA-N 1 0 449.990 3.768 20 0 IHADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncccc4OCc4ccccc4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749553 720845635 /nfs/dbraw/zinc/84/56/35/720845635.db2.gz WCMSHJHKLVLMMG-TZRRMPRUSA-N 1 0 444.583 3.632 20 0 IHADRO Clc1cccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164747277 720847810 /nfs/dbraw/zinc/84/78/10/720847810.db2.gz QBYJBQWWFRIOCW-KJXAQDMKSA-N 1 0 449.990 3.768 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164747596 720852332 /nfs/dbraw/zinc/85/23/32/720852332.db2.gz IDFBQVWXWZGIFJ-SONWIMMPSA-N 1 0 443.599 3.677 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743855 720856880 /nfs/dbraw/zinc/85/68/80/720856880.db2.gz AHHSXJGGQFLVTK-DCLXLUIPSA-N 1 0 447.562 3.562 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751863 720856898 /nfs/dbraw/zinc/85/68/98/720856898.db2.gz RDQDORIUOVRHHA-XUVXKRRUSA-N 1 0 444.027 3.608 20 0 IHADRO c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc2c1 ZINC001164755306 720873529 /nfs/dbraw/zinc/87/35/29/720873529.db2.gz WJUPZKUZQTWVNZ-GJZUVCINSA-N 1 0 429.568 3.780 20 0 IHADRO Fc1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752987 720875719 /nfs/dbraw/zinc/87/57/19/720875719.db2.gz OBIQEANSWKWNME-RLWLMLJZSA-N 1 0 447.558 3.919 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(F)cc4)c4ccccc43)CC[C@H]2C1 ZINC001164854363 720876346 /nfs/dbraw/zinc/87/63/46/720876346.db2.gz DYXJBDSDKROYTL-WMZHIEFXSA-N 1 0 436.531 3.609 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(F)cc4)c4ccccc43)CC[C@@H]2C1 ZINC001164854357 720876681 /nfs/dbraw/zinc/87/66/81/720876681.db2.gz DYXJBDSDKROYTL-AUSIDOKSSA-N 1 0 436.531 3.609 20 0 IHADRO COc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755382 720893936 /nfs/dbraw/zinc/89/39/36/720893936.db2.gz LRAMFAFSYZNHRH-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164757465 720899971 /nfs/dbraw/zinc/89/99/71/720899971.db2.gz VBRZRJPADHDFPX-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO Fc1nc(F)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)n1 ZINC001164748575 720906676 /nfs/dbraw/zinc/90/66/76/720906676.db2.gz HBWYUXHLSIFQLD-JTSKRJEESA-N 1 0 449.933 3.558 20 0 IHADRO CCOC(=O)c1sc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164863179 720919322 /nfs/dbraw/zinc/91/93/22/720919322.db2.gz XIDPJXLSDMAEQR-HNNXBMFYSA-N 1 0 442.589 3.794 20 0 IHADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865818 721050480 /nfs/dbraw/zinc/05/04/80/721050480.db2.gz AEDVFTCPPDTRIG-CVEARBPZSA-N 1 0 429.298 3.808 20 0 IHADRO Clc1cnc2cc(Cl)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cc2n1 ZINC001164865396 721078678 /nfs/dbraw/zinc/07/86/78/721078678.db2.gz KZTIOKBGESQCKJ-HZPDHXFCSA-N 1 0 430.339 3.811 20 0 IHADRO Clc1cnc2cc(Cl)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cc2n1 ZINC001164865394 721079441 /nfs/dbraw/zinc/07/94/41/721079441.db2.gz KZTIOKBGESQCKJ-CVEARBPZSA-N 1 0 430.339 3.811 20 0 IHADRO Clc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864928 721087854 /nfs/dbraw/zinc/08/78/54/721087854.db2.gz HNVODNLBIWBOPR-IRXDYDNUSA-N 1 0 430.339 3.811 20 0 IHADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865783 721090264 /nfs/dbraw/zinc/09/02/64/721090264.db2.gz PMEDDAKKQBOPAY-HOTGVXAUSA-N 1 0 433.890 3.636 20 0 IHADRO Fc1ccc(-c2nc(Cl)cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164881099 721159555 /nfs/dbraw/zinc/15/95/55/721159555.db2.gz ZASNMXSUKKBVHO-VQTJNVASSA-N 1 0 439.922 3.811 20 0 IHADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877631 721183348 /nfs/dbraw/zinc/18/33/48/721183348.db2.gz PHCLYMAJELBOKU-HUUCEWRRSA-N 1 0 445.297 3.688 20 0 IHADRO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]32)N=C1C ZINC001164872888 721228896 /nfs/dbraw/zinc/22/88/96/721228896.db2.gz OWDROBHRDPHSFA-WHCXKFMVSA-N 1 0 443.595 3.505 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccc(Cl)nc4Cl)C[C@H]3C2)cn1 ZINC001164766195 721236944 /nfs/dbraw/zinc/23/69/44/721236944.db2.gz SUYMZBPSABQKPH-ZIAGYGMSSA-N 1 0 432.302 3.505 20 0 IHADRO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164764675 721238992 /nfs/dbraw/zinc/23/89/92/721238992.db2.gz PKADUFNFRGINIK-RBUKOAKNSA-N 1 0 438.963 3.923 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164770675 721276521 /nfs/dbraw/zinc/27/65/21/721276521.db2.gz WQRHLNPILRNXMF-RDPSFJRHSA-N 1 0 432.572 3.935 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164770673 721277108 /nfs/dbraw/zinc/27/71/08/721277108.db2.gz WQRHLNPILRNXMF-GBXCKJPGSA-N 1 0 432.572 3.935 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4cc(F)ccc43)C2)C1 ZINC001164780040 721343457 /nfs/dbraw/zinc/34/34/57/721343457.db2.gz YTKJRTQMVFZCLR-DEOSSOPVSA-N 1 0 439.535 3.801 20 0 IHADRO COc1ccc2cnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2c1 ZINC001164781651 721360159 /nfs/dbraw/zinc/36/01/59/721360159.db2.gz KIFBYWUKAGOSOK-RUZDIDTESA-N 1 0 436.556 3.967 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(C)c(C)cc43)C2)C1 ZINC001164787046 721372861 /nfs/dbraw/zinc/37/28/61/721372861.db2.gz XTEUQBNQLRZBQO-VWLOTQADSA-N 1 0 435.572 3.970 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)nc1 ZINC001164892173 721377402 /nfs/dbraw/zinc/37/74/02/721377402.db2.gz RZVJNCQZRYGUPU-GGAORHGYSA-N 1 0 434.650 3.803 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164889913 721381160 /nfs/dbraw/zinc/38/11/60/721381160.db2.gz MXSLKJCGJUYQQH-JPYJTQIMSA-N 1 0 429.634 3.580 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4Cl)C3)O2)CC1 ZINC001164886296 721387618 /nfs/dbraw/zinc/38/76/18/721387618.db2.gz DZBBQKWKKHBLDW-KXBFYZLASA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892875 721395154 /nfs/dbraw/zinc/39/51/54/721395154.db2.gz UFCZJDYADMWXOK-XUZZJYLKSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)O2)CC1 ZINC001164890959 721410044 /nfs/dbraw/zinc/41/00/44/721410044.db2.gz UTEMSNVJSINWCM-KXBFYZLASA-N 1 0 449.373 3.699 20 0 IHADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2cc(Cl)ccc12 ZINC001164891074 721421750 /nfs/dbraw/zinc/42/17/50/721421750.db2.gz VCANEVJFQFUUAE-HYBUGGRVSA-N 1 0 429.008 3.962 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5Cl)nn4)C3)O2)CC1 ZINC001164883483 721422885 /nfs/dbraw/zinc/42/28/85/721422885.db2.gz ACPDIHPFYXTDSO-CYFREDJKSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2c(Cl)cccc12 ZINC001164889513 721426159 /nfs/dbraw/zinc/42/61/59/721426159.db2.gz BFCNAVCCTIGGMS-YADARESESA-N 1 0 429.008 3.962 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(F)c5n4)C3)O2)CC1 ZINC001164890220 721446440 /nfs/dbraw/zinc/44/64/40/721446440.db2.gz CKWACLTWENCSPF-GAJHUEQPSA-N 1 0 432.971 3.793 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(F)c5n4)C3)O2)CC1 ZINC001164890222 721447740 /nfs/dbraw/zinc/44/77/40/721447740.db2.gz CKWACLTWENCSPF-SBUREZEXSA-N 1 0 432.971 3.793 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164787810 721455646 /nfs/dbraw/zinc/45/56/46/721455646.db2.gz QSNHKUGKWZLNRH-GOSISDBHSA-N 1 0 448.011 3.654 20 0 IHADRO CCOc1cc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164789379 721459132 /nfs/dbraw/zinc/45/91/32/721459132.db2.gz XNRDJLLXUAXGKH-IBGZPJMESA-N 1 0 438.012 3.868 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164784065 721459463 /nfs/dbraw/zinc/45/94/63/721459463.db2.gz GSAYDKLOVPBWNO-FPOVZHCZSA-N 1 0 425.976 3.933 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164787252 721471368 /nfs/dbraw/zinc/47/13/68/721471368.db2.gz DTEDDDLAWSWQEV-IBGZPJMESA-N 1 0 437.028 3.987 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)nc1 ZINC001164793633 721488063 /nfs/dbraw/zinc/48/80/63/721488063.db2.gz UZTAKZRBJAEWQF-XZDHIHRUSA-N 1 0 426.536 3.694 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)CC[N@@H+]3C2)c1 ZINC001164899966 721512237 /nfs/dbraw/zinc/51/22/37/721512237.db2.gz MPCCEXYVUOQFCA-TZMCWYRMSA-N 1 0 433.261 3.809 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC[N@@H+]3C2)c1 ZINC001164907366 721548778 /nfs/dbraw/zinc/54/87/78/721548778.db2.gz NFAVOVRKWLUPQC-NVXWUHKLSA-N 1 0 449.864 3.704 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CC[N@@H+]3C2)c1 ZINC001164911496 721552021 /nfs/dbraw/zinc/55/20/21/721552021.db2.gz ZHCVTQHUSBKLJY-DZGCQCFKSA-N 1 0 434.302 3.813 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804500 721552297 /nfs/dbraw/zinc/55/22/97/721552297.db2.gz KBCUOZIOMXYVRC-LVCYWYKZSA-N 1 0 439.947 3.555 20 0 IHADRO CC(C)c1noc(-c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2)n1 ZINC001164805158 721585369 /nfs/dbraw/zinc/58/53/69/721585369.db2.gz KTRBBUDFOCYVNW-URVUXULASA-N 1 0 434.544 3.518 20 0 IHADRO CCOC(=O)c1cc(F)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907031 721587478 /nfs/dbraw/zinc/58/74/78/721587478.db2.gz QKIPIYSBWAPAGM-OAQYLSRUSA-N 1 0 434.462 3.530 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3ncccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904895 721587595 /nfs/dbraw/zinc/58/75/95/721587595.db2.gz HNLLXKCTFKFRNE-FQEVSTJZSA-N 1 0 430.890 3.811 20 0 IHADRO FC1(F)CCN(c2ncnc3nc(Cl)ccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904935 721692218 /nfs/dbraw/zinc/69/22/18/721692218.db2.gz HTCBVXOUXYZXTL-FQEVSTJZSA-N 1 0 430.890 3.811 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3cccnc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907924 721692755 /nfs/dbraw/zinc/69/27/55/721692755.db2.gz WOWSNHZTGOEUGJ-HXUWFJFHSA-N 1 0 430.890 3.811 20 0 IHADRO CC(C)(C)NC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164906041 721705367 /nfs/dbraw/zinc/70/53/67/721705367.db2.gz JNATZANOLXTDNB-HSZRJFAPSA-N 1 0 443.542 3.743 20 0 IHADRO COc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc2c1 ZINC001164907320 721708912 /nfs/dbraw/zinc/70/89/12/721708912.db2.gz QTBLMESSCWKPMX-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO FC(F)(c1cncc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904340 721717970 /nfs/dbraw/zinc/71/79/70/721717970.db2.gz BVMZAZQHLPQYNO-KRWDZBQOSA-N 1 0 429.849 3.808 20 0 IHADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904360 721718443 /nfs/dbraw/zinc/71/84/43/721718443.db2.gz CGNDNICNAYLQRP-KSEXMQBYSA-N 1 0 442.510 3.709 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165021850 721785406 /nfs/dbraw/zinc/78/54/06/721785406.db2.gz PTZUXWNJYNFUAL-RCZVLFRGSA-N 1 0 434.588 3.832 20 0 IHADRO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025111 721803571 /nfs/dbraw/zinc/80/35/71/721803571.db2.gz NPGLQHFDPVRXFB-AVCGJXAMSA-N 1 0 431.540 3.548 20 0 IHADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1OCC ZINC001165027300 721811246 /nfs/dbraw/zinc/81/12/46/721811246.db2.gz UAESLACHSSLURF-YUXAGFNASA-N 1 0 438.572 3.789 20 0 IHADRO CCOC(=O)c1cnc(C2CC2)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024148 721811979 /nfs/dbraw/zinc/81/19/79/721811979.db2.gz JDMNAQJHGKBJTN-VLCRHTCISA-N 1 0 435.572 3.663 20 0 IHADRO CCOC(=O)c1cnc(C2CC2)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024151 721811994 /nfs/dbraw/zinc/81/19/94/721811994.db2.gz JDMNAQJHGKBJTN-YUXAGFNASA-N 1 0 435.572 3.663 20 0 IHADRO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)no1 ZINC001165024637 721822915 /nfs/dbraw/zinc/82/29/15/721822915.db2.gz KUTMOACAFDGEOD-YUXAGFNASA-N 1 0 446.555 3.762 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(=O)NC(C)(C)C)cn2)CC1 ZINC001165021978 721841160 /nfs/dbraw/zinc/84/11/60/721841160.db2.gz KQTXWLIXVQIIGC-UHFFFAOYSA-N 1 0 440.588 3.728 20 0 IHADRO CCOC(=O)c1cc(C)cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023264 721841250 /nfs/dbraw/zinc/84/12/50/721841250.db2.gz ZNQUOKFGPCAZAY-UHFFFAOYSA-N 1 0 427.545 3.685 20 0 IHADRO COC(=O)/C=C\c1cc(C)cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021178 721842594 /nfs/dbraw/zinc/84/25/94/721842594.db2.gz GLBLLBLWRPECAW-KTKRTIGZSA-N 1 0 439.556 3.694 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164929421 721861719 /nfs/dbraw/zinc/86/17/19/721861719.db2.gz QCBVZTYKAKNHIF-CVEARBPZSA-N 1 0 446.329 3.576 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164921052 721866718 /nfs/dbraw/zinc/86/67/18/721866718.db2.gz CDFCGYUFEYNYIN-CVEARBPZSA-N 1 0 430.330 3.696 20 0 IHADRO C[NH+](C)[C@H]1CCCN([C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)C1 ZINC001165038983 721892849 /nfs/dbraw/zinc/89/28/49/721892849.db2.gz KWFIUIAULDPPFL-KKSFZXQISA-N 1 0 438.378 3.948 20 0 IHADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940848 721921776 /nfs/dbraw/zinc/92/17/76/721921776.db2.gz VEDOSMOBQZQEQS-UHFFFAOYSA-N 1 0 446.551 3.596 20 0 IHADRO COC(=O)c1ccc2cnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc2c1 ZINC001164940471 721921869 /nfs/dbraw/zinc/92/18/69/721921869.db2.gz RDQJHLMURVPVTP-UHFFFAOYSA-N 1 0 446.551 3.596 20 0 IHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000623116774 721922130 /nfs/dbraw/zinc/92/21/30/721922130.db2.gz RKBRDSLLDSAUGC-IBGZPJMESA-N 1 0 437.613 3.721 20 0 IHADRO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953047 722016871 /nfs/dbraw/zinc/01/68/71/722016871.db2.gz RGEFQOZEOLGTHE-UHFFFAOYSA-N 1 0 431.540 3.694 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)nc1 ZINC001164956136 722035173 /nfs/dbraw/zinc/03/51/73/722035173.db2.gz CCZNAGQRSAARLJ-PPJWLVRDSA-N 1 0 433.600 3.946 20 0 IHADRO O=C(c1ccco1)N1CC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164956643 722046872 /nfs/dbraw/zinc/04/68/72/722046872.db2.gz CDGCDKDXMIPWQW-GGAORHGYSA-N 1 0 428.536 3.584 20 0 IHADRO Clc1ccc(CN2CCCC2)c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)n1 ZINC001164958890 722051419 /nfs/dbraw/zinc/05/14/19/722051419.db2.gz HLRKVPPKXBGTSB-LRXVAGHRSA-N 1 0 427.980 3.631 20 0 IHADRO CC(C)(C)OC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164962585 722055649 /nfs/dbraw/zinc/05/56/49/722055649.db2.gz FRGMKWWJWDVQTB-UHFFFAOYSA-N 1 0 438.572 3.551 20 0 IHADRO COc1ccc(-c2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164960023 722060147 /nfs/dbraw/zinc/06/01/47/722060147.db2.gz DAUISEGRAILQMT-UHFFFAOYSA-N 1 0 445.567 3.666 20 0 IHADRO COc1ccccc1-c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncn1 ZINC001164960664 722060398 /nfs/dbraw/zinc/06/03/98/722060398.db2.gz GMUPSIYRCJKOIB-UHFFFAOYSA-N 1 0 445.567 3.666 20 0 IHADRO Cc1cncc(COCc2cnc3n2CCN(c2ccc(C[NH+]4CCCC4)cn2)[C@@H]3C)c1 ZINC001164966438 722063539 /nfs/dbraw/zinc/06/35/39/722063539.db2.gz SVWINTRVADWZLO-HXUWFJFHSA-N 1 0 432.572 3.875 20 0 IHADRO Cc1cncc(COCc2cnc3n2CCN(c2ncccc2C[NH+]2CCCC2)[C@H]3C)c1 ZINC001164962888 722063550 /nfs/dbraw/zinc/06/35/50/722063550.db2.gz AOQIVWLMTDXONQ-FQEVSTJZSA-N 1 0 432.572 3.875 20 0 IHADRO Fc1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977175 722104374 /nfs/dbraw/zinc/10/43/74/722104374.db2.gz DVRMVTTUIDYYNC-RDJZCZTQSA-N 1 0 426.870 3.541 20 0 IHADRO Fc1cc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1F ZINC001164972453 722111808 /nfs/dbraw/zinc/11/18/08/722111808.db2.gz FOOIHDUAFFRFNW-YWZLYKJASA-N 1 0 445.901 3.684 20 0 IHADRO Clc1cccc(-c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164983237 722119055 /nfs/dbraw/zinc/11/90/55/722119055.db2.gz YRMBKHAGSYDUTJ-KNQAVFIVSA-N 1 0 435.959 3.919 20 0 IHADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983293 722129776 /nfs/dbraw/zinc/12/97/76/722129776.db2.gz SXYFWUKLSJIHPV-XUZZJYLKSA-N 1 0 446.551 3.534 20 0 IHADRO Clc1ccc2[nH]c3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c3c2c1 ZINC001164976988 722137280 /nfs/dbraw/zinc/13/72/80/722137280.db2.gz HMJZJZOPCKHAFF-UWJYYQICSA-N 1 0 448.958 3.887 20 0 IHADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C2)n1)CCC3 ZINC001164983809 722138620 /nfs/dbraw/zinc/13/86/20/722138620.db2.gz VFBVSARZKJGMSB-QUCCMNQESA-N 1 0 435.597 3.611 20 0 IHADRO c1ccc(COc2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164980358 722138673 /nfs/dbraw/zinc/13/86/73/722138673.db2.gz NEWMOPWEBAHPAD-NOZRDPDXSA-N 1 0 430.552 3.783 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971707 722153978 /nfs/dbraw/zinc/15/39/78/722153978.db2.gz DIUWGJXHQILCEF-QPPBQGQZSA-N 1 0 433.531 3.713 20 0 IHADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@@]5(CC[N@H+]5Cc5cccc(F)c5)C4)c3)cc21 ZINC001164994732 722199322 /nfs/dbraw/zinc/19/93/22/722199322.db2.gz PMLGQYXTGJTSMJ-AREMUKBSSA-N 1 0 445.542 3.747 20 0 IHADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164994403 722207064 /nfs/dbraw/zinc/20/70/64/722207064.db2.gz GDVNMDVACUQPRJ-JOCHJYFZSA-N 1 0 443.910 3.782 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165001413 722249983 /nfs/dbraw/zinc/24/99/83/722249983.db2.gz QBLLORIIRXFFNR-BWKNWUBXSA-N 1 0 438.572 3.733 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3ccc(Cl)cc31)CCC2 ZINC001165001169 722250457 /nfs/dbraw/zinc/25/04/57/722250457.db2.gz NFUBCUQLCQBINN-UHFFFAOYSA-N 1 0 435.359 3.622 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3cc(C(C)(C)C)sc31)CCC2 ZINC001165000307 722251798 /nfs/dbraw/zinc/25/17/98/722251798.db2.gz NWTHGLVGUPJSHL-UHFFFAOYSA-N 1 0 428.606 3.674 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CCC2 ZINC001165004902 722258221 /nfs/dbraw/zinc/25/82/21/722258221.db2.gz WTVSEDPMIORZOH-UHFFFAOYSA-N 1 0 439.938 3.842 20 0 IHADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ncc(Br)cc1Br ZINC000542518333 1126096868 /nfs/dbraw/zinc/09/68/68/1126096868.db2.gz ZGWYIKNGIHQIFU-ZDUSSCGKSA-N 1 0 439.151 3.781 20 0 IHADRO Cc1c(Br)cncc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001179147683 1126151534 /nfs/dbraw/zinc/15/15/34/1126151534.db2.gz IYIXANMJZLKQNY-GOSISDBHSA-N 1 0 440.179 3.925 20 0 IHADRO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cc12 ZINC001179277154 1126151679 /nfs/dbraw/zinc/15/16/79/1126151679.db2.gz AOMIOHCYVVFERQ-LJQANCHMSA-N 1 0 437.769 3.776 20 0 IHADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ncc(Br)cc2Br)cc1C ZINC001202676386 1126157340 /nfs/dbraw/zinc/15/73/40/1126157340.db2.gz LVXGPEUMTSQICT-HNNXBMFYSA-N 1 0 428.168 3.917 20 0 IHADRO Cc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ncc1Br ZINC001203118856 1126157599 /nfs/dbraw/zinc/15/75/99/1126157599.db2.gz NKCCVGVMINAXBV-GOSISDBHSA-N 1 0 440.179 3.925 20 0 IHADRO COc1sc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)cc1Br ZINC001207459768 1126159940 /nfs/dbraw/zinc/15/99/40/1126159940.db2.gz ODZNNIJPIXPPGM-GOSISDBHSA-N 1 0 430.364 3.620 20 0 IHADRO OC[C@@]1([NH2+]Cc2ccn(-c3cccc(F)c3)n2)CCc2cc(Br)ccc2C1 ZINC001460420564 1126191017 /nfs/dbraw/zinc/19/10/17/1126191017.db2.gz CNBNHKZGBULQMK-OAQYLSRUSA-N 1 0 430.321 3.784 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001474652841 1126205042 /nfs/dbraw/zinc/20/50/42/1126205042.db2.gz UPSSZIFSSZULBF-JOCHJYFZSA-N 1 0 441.373 3.991 20 0 IHADRO OC[C@@]1([NH2+]Cc2cccc(O)c2Br)CCc2cc(Br)ccc2C1 ZINC001560532877 1126211806 /nfs/dbraw/zinc/21/18/06/1126211806.db2.gz YYTSEFKTHVXAPO-GOSISDBHSA-N 1 0 441.163 3.927 20 0 IHADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)o2)CC1 ZINC001621022543 1126244701 /nfs/dbraw/zinc/24/47/01/1126244701.db2.gz AOPGGAVINIZZNI-XMMPIXPASA-N 1 0 447.551 3.559 20 0 IHADRO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1 ZINC000015918946 563018351 /nfs/dbraw/zinc/01/83/51/563018351.db2.gz UPBKBLURRINSMO-JOCHJYFZSA-N 1 0 441.528 3.659 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c(Cl)n1 ZINC001164389441 718814619 /nfs/dbraw/zinc/81/46/19/718814619.db2.gz WGRLYGNMMSKHED-CQSZACIVSA-N 1 0 427.801 3.577 20 0 IHADRO c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164389460 718824586 /nfs/dbraw/zinc/82/45/86/718824586.db2.gz IOJWXDRHDPGVKC-SFTDATJTSA-N 1 0 449.624 3.911 20 0 IHADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)c1 ZINC001164401140 718861003 /nfs/dbraw/zinc/86/10/03/718861003.db2.gz CGROFXWILPVVBE-UHFFFAOYSA-N 1 0 434.796 3.539 20 0 IHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414452 718880240 /nfs/dbraw/zinc/88/02/40/718880240.db2.gz UJSDXHMUVQLEJA-GFCCVEGCSA-N 1 0 427.801 3.720 20 0 IHADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(F)C3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164415851 718884126 /nfs/dbraw/zinc/88/41/26/718884126.db2.gz OBNXLQRSMDBTES-QGZVFWFLSA-N 1 0 432.584 3.599 20 0 IHADRO C(c1nc2sc3c(c2c(N2CCCCC24CC[NH2+]CC4)n1)CCCC3)N1CCOCC1 ZINC001164419526 718911206 /nfs/dbraw/zinc/91/12/06/718911206.db2.gz CCFMZAQJPSPLCL-UHFFFAOYSA-N 1 0 441.645 3.515 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC2)CC1 ZINC001164618456 719030812 /nfs/dbraw/zinc/03/08/12/719030812.db2.gz XCAJFSDFQXLWIB-UHFFFAOYSA-N 1 0 441.576 3.673 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(F)F)nc4ccc(F)cc43)CC2)CC1 ZINC001164617915 719034082 /nfs/dbraw/zinc/03/40/82/719034082.db2.gz PDDBTROJXCZDHI-UHFFFAOYSA-N 1 0 436.478 3.950 20 0 IHADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164625285 719048561 /nfs/dbraw/zinc/04/85/61/719048561.db2.gz PDWDXWCDNUUGJB-YSSFQJQWSA-N 1 0 426.870 3.519 20 0 IHADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164620326 719049162 /nfs/dbraw/zinc/04/91/62/719049162.db2.gz GEMHVXWMHWZVLT-UZLBHIALSA-N 1 0 431.874 3.913 20 0 IHADRO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)c2ccccc21 ZINC001164635296 719140046 /nfs/dbraw/zinc/14/00/46/719140046.db2.gz WVXMRQBRUCHIGS-QHCPKHFHSA-N 1 0 436.600 3.621 20 0 IHADRO C[C@@H]1CN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)[C@@H](C)C[N@@H+]1C ZINC001164638769 719213815 /nfs/dbraw/zinc/21/38/15/719213815.db2.gz PDOZKALOKTVBIJ-LRAJWGHMSA-N 1 0 438.378 3.946 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@H]21 ZINC001164675071 719437032 /nfs/dbraw/zinc/43/70/32/719437032.db2.gz YLCWVFPHUKVAHW-YADHBBJMSA-N 1 0 429.499 3.746 20 0 IHADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681193 719618879 /nfs/dbraw/zinc/61/88/79/719618879.db2.gz CKWPBUASGCOREJ-UHFFFAOYSA-N 1 0 439.567 3.877 20 0 IHADRO CC(C)N(C)Cc1nn(-c2cnc(Cl)nc2Oc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164679968 719652314 /nfs/dbraw/zinc/65/23/14/719652314.db2.gz BOAXNXSDRCVEEQ-UHFFFAOYSA-N 1 0 430.915 3.733 20 0 IHADRO Cc1nc(Cl)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681367 719654116 /nfs/dbraw/zinc/65/41/16/719654116.db2.gz MNWFXMSTIIFGBV-GOSISDBHSA-N 1 0 442.007 3.532 20 0 IHADRO Cc1nc2ccoc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164679983 719655627 /nfs/dbraw/zinc/65/56/27/719655627.db2.gz BRIRROWJMUJCHU-LJQANCHMSA-N 1 0 447.583 3.625 20 0 IHADRO Cc1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164679933 719656132 /nfs/dbraw/zinc/65/61/32/719656132.db2.gz ALMJIXGUVYXADG-GOSISDBHSA-N 1 0 442.007 3.532 20 0 IHADRO Cc1c[nH]c2nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ccc12 ZINC001164684045 719663388 /nfs/dbraw/zinc/66/33/88/719663388.db2.gz WASPZFOSRRJJLN-FQEVSTJZSA-N 1 0 445.611 3.965 20 0 IHADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2[nH]ccc21 ZINC001164680026 719673691 /nfs/dbraw/zinc/67/36/91/719673691.db2.gz AXHFGAOOXCQHQY-HXUWFJFHSA-N 1 0 445.611 3.965 20 0 IHADRO COC(=O)c1c[nH]c2nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)ccc12 ZINC001164692593 719806807 /nfs/dbraw/zinc/80/68/07/719806807.db2.gz KLDSWOMTKQUQFE-UHFFFAOYSA-N 1 0 425.558 3.749 20 0 IHADRO C[C@H]1CCCN(c2cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ncn2)C1 ZINC001164707293 719901458 /nfs/dbraw/zinc/90/14/58/719901458.db2.gz OPIXIPCKKBAOIX-IBGZPJMESA-N 1 0 427.618 3.646 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nccc(Cl)n1)CC2 ZINC001164712717 720099441 /nfs/dbraw/zinc/09/94/41/720099441.db2.gz YLNBUZGYRCXEGF-QGZVFWFLSA-N 1 0 437.922 3.577 20 0 IHADRO CCOc1cc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2cc1OCC ZINC001164814934 720117114 /nfs/dbraw/zinc/11/71/14/720117114.db2.gz UOYHYGACYFPCKS-DFBJGRDBSA-N 1 0 440.588 3.612 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164718046 720118181 /nfs/dbraw/zinc/11/81/81/720118181.db2.gz QVINMTQAFCHCEB-RXVVDRJESA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164713957 720148962 /nfs/dbraw/zinc/14/89/62/720148962.db2.gz UKXOXJOQTVEHLQ-NRFANRHFSA-N 1 0 433.556 3.948 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164818166 720167669 /nfs/dbraw/zinc/16/76/69/720167669.db2.gz RYHVNFPQNJFCDN-FQRUVTKNSA-N 1 0 429.568 3.877 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164818500 720173677 /nfs/dbraw/zinc/17/36/77/720173677.db2.gz SXFVUHAKTLKVMA-YKSBVNFPSA-N 1 0 447.023 3.546 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164818496 720174324 /nfs/dbraw/zinc/17/43/24/720174324.db2.gz SXFVUHAKTLKVMA-GBXCKJPGSA-N 1 0 447.023 3.546 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164817844 720177451 /nfs/dbraw/zinc/17/74/51/720177451.db2.gz QKMCGVGTBUGGNE-OZXSUGGESA-N 1 0 435.568 3.623 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164817840 720178370 /nfs/dbraw/zinc/17/83/70/720178370.db2.gz QKMCGVGTBUGGNE-BVAGGSTKSA-N 1 0 435.568 3.623 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)CC1 ZINC001164824555 720293535 /nfs/dbraw/zinc/29/35/35/720293535.db2.gz RMJBXSMSBGMHSY-DLBZAZTESA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2Cl)CC1 ZINC001164823183 720296734 /nfs/dbraw/zinc/29/67/34/720296734.db2.gz PEXROHMMHBMOJG-SJORKVTESA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)c2Cl)CC1 ZINC001164822614 720297834 /nfs/dbraw/zinc/29/78/34/720297834.db2.gz NNYFPRJPJVOSFG-HOTGVXAUSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc3nc(Cl)cnc3cc2Cl)CC1 ZINC001164822113 720313531 /nfs/dbraw/zinc/31/35/31/720313531.db2.gz MVLVTZVCIZYBRU-RTBURBONSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3cc(Cl)ccc32)CC1 ZINC001164824708 720317854 /nfs/dbraw/zinc/31/78/54/720317854.db2.gz CTSYOTCJGIAOJJ-RBUKOAKNSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ncc2-c2ccccc2)CC1 ZINC001164834316 720319704 /nfs/dbraw/zinc/31/97/04/720319704.db2.gz ZDQBBUAMVHOFJH-LEWJYISDSA-N 1 0 439.991 3.709 20 0 IHADRO CC(C)c1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C(C)(C)C)n1 ZINC001164824216 720345480 /nfs/dbraw/zinc/34/54/80/720345480.db2.gz HPQKHEPDVMXFCM-VQTJNVASSA-N 1 0 427.637 3.809 20 0 IHADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164726735 720351409 /nfs/dbraw/zinc/35/14/09/720351409.db2.gz ROMIAEWIPGOWMF-FGZHOGPDSA-N 1 0 447.970 3.913 20 0 IHADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c2[nH]cnc21 ZINC001164733605 720427350 /nfs/dbraw/zinc/42/73/50/720427350.db2.gz PYFRQYBBNLVEEY-ZWKOTPCHSA-N 1 0 435.532 3.553 20 0 IHADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164722431 720472757 /nfs/dbraw/zinc/47/27/57/720472757.db2.gz AJVPYPBSQYLKAI-RPBOFIJWSA-N 1 0 429.568 3.941 20 0 IHADRO Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(c2ncccc2C[NH+]2CCCC2)C3)c1 ZINC001164724775 720495987 /nfs/dbraw/zinc/49/59/87/720495987.db2.gz HFDFVMLBHMWZKH-CPJSRVTESA-N 1 0 440.563 3.541 20 0 IHADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164835343 720506686 /nfs/dbraw/zinc/50/66/86/720506686.db2.gz KEBUWHWIYNNZHZ-LLGFUMIMSA-N 1 0 440.979 3.866 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)C1 ZINC001164728080 720511882 /nfs/dbraw/zinc/51/18/82/720511882.db2.gz IBWXZHDEYJBUFS-LBPRGKRZSA-N 1 0 441.313 3.876 20 0 IHADRO COCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccccc2)n1 ZINC001164833339 720513542 /nfs/dbraw/zinc/51/35/42/720513542.db2.gz DFMPRHNZWHJRFR-GMKZXUHWSA-N 1 0 446.599 3.864 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4ccc(F)cc43)CC[C@@H]21 ZINC001164837919 720515255 /nfs/dbraw/zinc/51/52/55/720515255.db2.gz QPYOOSHGTDKMDI-KNBMTAEXSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3cccc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837928 720525223 /nfs/dbraw/zinc/52/52/23/720525223.db2.gz QQJSWUSABSRNDZ-IXDOHACOSA-N 1 0 425.911 3.734 20 0 IHADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164835386 720532337 /nfs/dbraw/zinc/53/23/37/720532337.db2.gz HAPNHHKFEMPVNJ-FUPPJEDESA-N 1 0 433.556 3.596 20 0 IHADRO CCc1cccc(Oc2nc(Cl)ncc2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC001164735836 720533011 /nfs/dbraw/zinc/53/30/11/720533011.db2.gz RZAKAXVBKYLUAN-QGZVFWFLSA-N 1 0 426.952 3.879 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(F)cccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840810 720534907 /nfs/dbraw/zinc/53/49/07/720534907.db2.gz UAJHIWJPVNRGPK-TXPKVOOTSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3CCCCC4)CC[C@@H]21 ZINC001164833638 720537737 /nfs/dbraw/zinc/53/77/37/720537737.db2.gz BARRQYHWZWCOHB-WFXMLNOXSA-N 1 0 429.012 3.973 20 0 IHADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842405 720540027 /nfs/dbraw/zinc/54/00/27/720540027.db2.gz XCJYTVQSFVTIJW-SOLBZPMBSA-N 1 0 439.938 3.863 20 0 IHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164736040 720544584 /nfs/dbraw/zinc/54/45/84/720544584.db2.gz UQLIOOWDLVSRAW-ZDUSSCGKSA-N 1 0 431.911 3.583 20 0 IHADRO CCOC(=O)c1ccc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(Cl)n1 ZINC001164735997 720546535 /nfs/dbraw/zinc/54/65/35/720546535.db2.gz TYLIVUUZEXQYCW-AWEZNQCLSA-N 1 0 445.938 3.973 20 0 IHADRO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c21 ZINC001164835340 720553906 /nfs/dbraw/zinc/55/39/06/720553906.db2.gz GVLGIDLNDAYQFC-JENIJYKNSA-N 1 0 440.979 3.866 20 0 IHADRO CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164840151 720572585 /nfs/dbraw/zinc/57/25/85/720572585.db2.gz RWQOEUGKWYDCSI-FDFHNCONSA-N 1 0 425.625 3.677 20 0 IHADRO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164833599 720573578 /nfs/dbraw/zinc/57/35/78/720573578.db2.gz AOSLXOAGTGVEBL-AWRGLXIESA-N 1 0 432.572 3.727 20 0 IHADRO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164835260 720604056 /nfs/dbraw/zinc/60/40/56/720604056.db2.gz AUGPPODDPAXUPI-ZRCGQRJVSA-N 1 0 432.572 3.727 20 0 IHADRO COc1cc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844175 720637842 /nfs/dbraw/zinc/63/78/42/720637842.db2.gz ZOPDEUCNJBOMJN-YCRNBWNJSA-N 1 0 435.572 3.826 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)CC[C@@H]21 ZINC001164835982 720640144 /nfs/dbraw/zinc/64/01/44/720640144.db2.gz DHQLCWGPETZPIL-ZJOUEHCJSA-N 1 0 437.979 3.766 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(F)ccc4c(Cl)ncnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842616 720647457 /nfs/dbraw/zinc/64/74/57/720647457.db2.gz SOUZZQGYRQKXIT-JTDSTZFVSA-N 1 0 428.943 3.997 20 0 IHADRO COC(=O)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1Cl ZINC001164837054 720663459 /nfs/dbraw/zinc/66/34/59/720663459.db2.gz AYYRGPJRSTUUJU-GOSISDBHSA-N 1 0 429.948 3.782 20 0 IHADRO COC(=O)c1ccc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncc2c1 ZINC001164837586 720670031 /nfs/dbraw/zinc/67/00/31/720670031.db2.gz DFDLRZHBJAQUGH-JOCHJYFZSA-N 1 0 446.551 3.676 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164836501 720703980 /nfs/dbraw/zinc/70/39/80/720703980.db2.gz BNRBFEIIBUDOFU-JOCHJYFZSA-N 1 0 436.600 3.870 20 0 IHADRO CCOC(=O)c1ncnc(Cl)c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837605 720708461 /nfs/dbraw/zinc/70/84/61/720708461.db2.gz FCSAJPMZYZXDKR-SFHVURJKSA-N 1 0 444.963 3.567 20 0 IHADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739307 720720146 /nfs/dbraw/zinc/72/01/46/720720146.db2.gz MYYDDOIIHUKNRY-HOTGVXAUSA-N 1 0 431.874 3.565 20 0 IHADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741812 720727972 /nfs/dbraw/zinc/72/79/72/720727972.db2.gz NBNGMRZMLYAGCX-UONOGXRCSA-N 1 0 446.338 3.682 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164745532 720809438 /nfs/dbraw/zinc/80/94/38/720809438.db2.gz KTEGHODLBHDHKW-NLWGTHIKSA-N 1 0 437.617 3.786 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(C)cc2c1 ZINC001164747520 720810021 /nfs/dbraw/zinc/81/00/21/720810021.db2.gz OKWOVDOBEUODRJ-AWRGLXIESA-N 1 0 432.572 3.523 20 0 IHADRO Cc1sc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164742047 720827125 /nfs/dbraw/zinc/82/71/25/720827125.db2.gz PCLNSXBXCZFZBW-SLFFLAALSA-N 1 0 437.617 3.587 20 0 IHADRO Fc1cccc2c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164745496 720858388 /nfs/dbraw/zinc/85/83/88/720858388.db2.gz DUHIUHBFLYLRSJ-SQGPQFPESA-N 1 0 440.954 3.998 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@@H]2C1 ZINC001164852717 720862326 /nfs/dbraw/zinc/86/23/26/720862326.db2.gz FNQXETPDXQKQQQ-SJLPKXTDSA-N 1 0 425.907 3.607 20 0 IHADRO Cc1nc2ccoc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748008 720868803 /nfs/dbraw/zinc/86/88/03/720868803.db2.gz DIAHUYXREOBRJJ-SQJMNOBHSA-N 1 0 433.556 3.681 20 0 IHADRO Cc1nc2ccoc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748004 720868986 /nfs/dbraw/zinc/86/89/86/720868986.db2.gz DIAHUYXREOBRJJ-OFVILXPXSA-N 1 0 433.556 3.681 20 0 IHADRO Clc1cc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164751674 720873511 /nfs/dbraw/zinc/87/35/11/720873511.db2.gz LVBVMHWWOKLVPA-XMSQKQJNSA-N 1 0 448.398 3.934 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccc4ncccc42)C3)c1 ZINC001164754824 720875481 /nfs/dbraw/zinc/87/54/81/720875481.db2.gz STPAUQLJUYOODK-NVQXNPDNSA-N 1 0 429.568 3.780 20 0 IHADRO COc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750089 720875599 /nfs/dbraw/zinc/87/55/99/720875599.db2.gz ITHACNIZGMCQRL-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO Clc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755927 720887091 /nfs/dbraw/zinc/88/70/91/720887091.db2.gz NJXQBQUMZSOYPR-AVRDEDQJSA-N 1 0 448.398 3.934 20 0 IHADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869946 721053039 /nfs/dbraw/zinc/05/30/39/721053039.db2.gz USIDBZSTDKRXHV-CVEARBPZSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869925 721062024 /nfs/dbraw/zinc/06/20/24/721062024.db2.gz UNLCGDQYSXYVRY-QZTJIDSGSA-N 1 0 445.901 3.703 20 0 IHADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865135 721085987 /nfs/dbraw/zinc/08/59/87/721085987.db2.gz IPWLPBZSYPUENU-GJZGRUSLSA-N 1 0 429.298 3.808 20 0 IHADRO Clc1ccc2[nH]c3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3c2c1 ZINC001164877011 721133218 /nfs/dbraw/zinc/13/32/18/721133218.db2.gz NUMTWPOJPAOLDJ-ROUUACIJSA-N 1 0 434.931 3.639 20 0 IHADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164878519 721173031 /nfs/dbraw/zinc/17/30/31/721173031.db2.gz QJGPJYPUHLNKOM-WOJBJXKFSA-N 1 0 444.564 3.628 20 0 IHADRO Clc1cccc2nc(Cl)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc12 ZINC001164872188 721178773 /nfs/dbraw/zinc/17/87/73/721178773.db2.gz GUNFASILDKOWSM-HZPDHXFCSA-N 1 0 430.339 3.811 20 0 IHADRO c1ccc(SCc2nccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164870981 721183012 /nfs/dbraw/zinc/18/30/12/721183012.db2.gz CTYWMZFSHKBOOD-SFTDATJTSA-N 1 0 433.581 3.644 20 0 IHADRO Clc1ccc2c(Cl)ncnc2c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871378 721190960 /nfs/dbraw/zinc/19/09/60/721190960.db2.gz YSXXXXXBTCTUNN-JKSUJKDBSA-N 1 0 430.339 3.811 20 0 IHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871389 721198203 /nfs/dbraw/zinc/19/82/03/721198203.db2.gz YVUUBVXTSZTSEF-ZWKOTPCHSA-N 1 0 442.922 3.911 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C[C@H]3C2)cn1 ZINC001164763289 721239948 /nfs/dbraw/zinc/23/99/48/721239948.db2.gz NDYPMLJZLYKKDO-UONOGXRCSA-N 1 0 432.302 3.505 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccncc4)cn3)C2)C1 ZINC001164787804 721365568 /nfs/dbraw/zinc/36/55/68/721365568.db2.gz ZYZKAGFITNVGEN-RUZDIDTESA-N 1 0 433.556 3.867 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(C)c(C)cc43)C2)C1 ZINC001164787045 721373236 /nfs/dbraw/zinc/37/32/36/721373236.db2.gz XTEUQBNQLRZBQO-RUZDIDTESA-N 1 0 435.572 3.970 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164890985 721384219 /nfs/dbraw/zinc/38/42/19/721384219.db2.gz PSWKTBFYSSXQCM-KXBFYZLASA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164893579 721387117 /nfs/dbraw/zinc/38/71/17/721387117.db2.gz VJVHVNRLKNDMHR-LPHOPBHVSA-N 1 0 449.373 3.699 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896822 721433431 /nfs/dbraw/zinc/43/34/31/721433431.db2.gz SDMPUUOCFHNJPQ-FDDCHVKYSA-N 1 0 436.044 3.501 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3scc(C)c31)CC2 ZINC001164789314 721450334 /nfs/dbraw/zinc/45/03/34/721450334.db2.gz UPMRFIBDFRWPOM-LJQANCHMSA-N 1 0 430.618 3.734 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)Sc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164886537 721451127 /nfs/dbraw/zinc/45/11/27/721451127.db2.gz HCIUANZLYSQYKS-APWZRJJASA-N 1 0 446.995 3.638 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164783356 721451376 /nfs/dbraw/zinc/45/13/76/721451376.db2.gz BQPJLAACNAZPJR-INIZCTEOSA-N 1 0 429.392 3.517 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164784001 721452542 /nfs/dbraw/zinc/45/25/42/721452542.db2.gz DDHAGKBCWLVCFK-HXUWFJFHSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164785965 721453220 /nfs/dbraw/zinc/45/32/20/721453220.db2.gz KKPGOIDIKSMREE-QGZVFWFLSA-N 1 0 441.041 3.586 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164783289 721455622 /nfs/dbraw/zinc/45/56/22/721455622.db2.gz BHKKLNZUZPTCHN-JOCHJYFZSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164784194 721458319 /nfs/dbraw/zinc/45/83/19/721458319.db2.gz HDSNPMDASZGXQZ-LJQANCHMSA-N 1 0 449.039 3.743 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164786760 721459791 /nfs/dbraw/zinc/45/97/91/721459791.db2.gz PHGBOUKXRKAIQQ-RXVVDRJESA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164785513 721459886 /nfs/dbraw/zinc/45/98/86/721459886.db2.gz LWTVSFYSBCJDPH-GHTZIAJQSA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164790093 721473241 /nfs/dbraw/zinc/47/32/41/721473241.db2.gz QVHNJLYYFALXMH-IBGZPJMESA-N 1 0 449.039 3.743 20 0 IHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900348 721512524 /nfs/dbraw/zinc/51/25/24/721512524.db2.gz QWAGGRNJGYSKHT-FUHWJXTLSA-N 1 0 433.911 3.701 20 0 IHADRO O=C(Nc1ccccc1)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906721 721535732 /nfs/dbraw/zinc/53/57/32/721535732.db2.gz LCIJLIMRIGRMQF-GGAORHGYSA-N 1 0 432.499 3.815 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164911944 721540004 /nfs/dbraw/zinc/54/00/04/721540004.db2.gz XPLRLEUPOJAHAH-PZJWPPBQSA-N 1 0 430.955 3.812 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC[N@@H+]3C2)c1 ZINC001164907364 721548310 /nfs/dbraw/zinc/54/83/10/721548310.db2.gz NFAVOVRKWLUPQC-DOTOQJQBSA-N 1 0 449.864 3.704 20 0 IHADRO CC(C)(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)n1 ZINC001164912310 721549166 /nfs/dbraw/zinc/54/91/66/721549166.db2.gz YSGNMMYEZUQMAP-QUCCMNQESA-N 1 0 437.519 3.910 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807330 721555876 /nfs/dbraw/zinc/55/58/76/721555876.db2.gz SSBOIFLELHOAHW-JAXLGGSGSA-N 1 0 439.947 3.555 20 0 IHADRO COC(=O)c1c(Cl)ccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907062 721586178 /nfs/dbraw/zinc/58/61/78/721586178.db2.gz QUBKCGWLAMBKDG-FQEVSTJZSA-N 1 0 436.890 3.654 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3cccnc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907922 721693303 /nfs/dbraw/zinc/69/33/03/721693303.db2.gz WOWSNHZTGOEUGJ-FQEVSTJZSA-N 1 0 430.890 3.811 20 0 IHADRO CC1(C)OC(=O)c2c1ccnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904961 721700716 /nfs/dbraw/zinc/70/07/16/721700716.db2.gz INEURPAPDDBUCE-JOCHJYFZSA-N 1 0 428.483 3.620 20 0 IHADRO COC(=O)c1c(C)cc(C)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908460 721702672 /nfs/dbraw/zinc/70/26/72/721702672.db2.gz ZHEIYYUJIRWMFW-QFIPXVFZSA-N 1 0 430.499 3.618 20 0 IHADRO COc1cc2c(cc1F)ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906461 721714739 /nfs/dbraw/zinc/71/47/39/721714739.db2.gz MBFJKLDWAHEWQC-QFIPXVFZSA-N 1 0 443.473 3.910 20 0 IHADRO Fc1cccc(-c2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164909774 721728341 /nfs/dbraw/zinc/72/83/41/721728341.db2.gz DPULBDVCFLBMPE-JOCHJYFZSA-N 1 0 440.473 3.810 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3scc(-c4cccs4)c32)CC1 ZINC001165011595 721733807 /nfs/dbraw/zinc/73/38/07/721733807.db2.gz SBGJPRURJQMMNB-UHFFFAOYSA-N 1 0 441.626 3.943 20 0 IHADRO COc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165027164 721804986 /nfs/dbraw/zinc/80/49/86/721804986.db2.gz TZYWMHONVANZDV-RBDMOPTHSA-N 1 0 433.556 3.779 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@@H]21 ZINC001165023319 721807612 /nfs/dbraw/zinc/80/76/12/721807612.db2.gz JGNJUSYICMOVSN-YZGWKJHDSA-N 1 0 438.576 3.956 20 0 IHADRO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026022 721814161 /nfs/dbraw/zinc/81/41/61/721814161.db2.gz OVYXBJCFBPJFJJ-DBVUQKKJSA-N 1 0 443.979 3.500 20 0 IHADRO CCOC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c(C)c1 ZINC001165023303 721839839 /nfs/dbraw/zinc/83/98/39/721839839.db2.gz USBFMJYTPXEYLR-UHFFFAOYSA-N 1 0 427.545 3.685 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(N3CCCCCC3)n2)CC1 ZINC001165029794 721844413 /nfs/dbraw/zinc/84/44/13/721844413.db2.gz DKCVAIZXBFJVIZ-UHFFFAOYSA-N 1 0 439.604 3.975 20 0 IHADRO c1ccc(-c2ncc3c(n2)[C@]2(CCN(c4ccc(C[NH+]5CCCC5)cn4)C2)COC3)cc1 ZINC001164927155 721899101 /nfs/dbraw/zinc/89/91/01/721899101.db2.gz GYXYHWDULXYUBK-SANMLTNESA-N 1 0 427.552 3.813 20 0 IHADRO c1ccc(-c2ncc3c(n2)[C@]2(CCN(c4ncccc4C[NH+]4CCCC4)C2)COC3)cc1 ZINC001164927513 721899176 /nfs/dbraw/zinc/89/91/76/721899176.db2.gz IWAIIUJJPBPXDD-SANMLTNESA-N 1 0 427.552 3.813 20 0 IHADRO COc1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c(OC)c1 ZINC001164939387 721927168 /nfs/dbraw/zinc/92/71/68/721927168.db2.gz LFJHPBFVUREEFN-UHFFFAOYSA-N 1 0 448.567 3.827 20 0 IHADRO CCCSc1ncnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1OC ZINC001164964155 722062539 /nfs/dbraw/zinc/06/25/39/722062539.db2.gz FHFGAMCIFIYDAY-UHFFFAOYSA-N 1 0 443.617 3.501 20 0 IHADRO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967673 722077855 /nfs/dbraw/zinc/07/78/55/722077855.db2.gz IPBCLNDKMXOMPB-HDICACEKSA-N 1 0 448.958 3.553 20 0 IHADRO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164973373 722084697 /nfs/dbraw/zinc/08/46/97/722084697.db2.gz NOYSBJAAHPTGLE-NUNAXRQHSA-N 1 0 430.596 3.771 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164971874 722109305 /nfs/dbraw/zinc/10/93/05/722109305.db2.gz CYMONOMHBXRMTI-AEFFLSMTSA-N 1 0 429.977 3.775 20 0 IHADRO Fc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164978349 722113684 /nfs/dbraw/zinc/11/36/84/722113684.db2.gz OLSVFDMGUYOWPW-MAUKXSAKSA-N 1 0 426.870 3.541 20 0 IHADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983291 722129833 /nfs/dbraw/zinc/12/98/33/722129833.db2.gz SXYFWUKLSJIHPV-QPPBQGQZSA-N 1 0 446.551 3.534 20 0 IHADRO c1ccc(CSc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973338 722151218 /nfs/dbraw/zinc/15/12/18/722151218.db2.gz BTGYXFCQXZILRI-PKTZIBPZSA-N 1 0 447.608 3.891 20 0 IHADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973340 722157264 /nfs/dbraw/zinc/15/72/64/722157264.db2.gz LXTSLZOCWZSRCM-QFBILLFUSA-N 1 0 427.911 3.545 20 0 IHADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995513 722200143 /nfs/dbraw/zinc/20/01/43/722200143.db2.gz NXPKPELBHDHVOC-JOCHJYFZSA-N 1 0 432.927 3.620 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3cccc4ccccc43)nn1)CCC2 ZINC001165004914 722257181 /nfs/dbraw/zinc/25/71/81/722257181.db2.gz XDWQTMMBPNMZIW-UHFFFAOYSA-N 1 0 442.567 3.982 20 0 IHADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cnc2ccc(Br)cn12)C(F)(F)F ZINC000608057686 1126100609 /nfs/dbraw/zinc/10/06/09/1126100609.db2.gz ZFEJBMVSJYKCAN-WBVHZDCISA-N 1 0 428.252 3.721 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(C)c(I)cc2C)cc1 ZINC001176587213 1126149735 /nfs/dbraw/zinc/14/97/35/1126149735.db2.gz HHNKOUOIIQSFDZ-FQEVSTJZSA-N 1 0 439.337 4.000 20 0 IHADRO OC[C@@]1([NH2+]Cc2sncc2Br)CCc2cc(Br)ccc2C1 ZINC001171949081 1126148615 /nfs/dbraw/zinc/14/86/15/1126148615.db2.gz MATVYXLUODKPQD-OAHLLOKOSA-N 1 0 432.181 3.678 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c(F)ccc(Br)c2F)cc1OC ZINC001198230731 1126155855 /nfs/dbraw/zinc/15/58/55/1126155855.db2.gz RQYHKDOTKXJXPI-IBGZPJMESA-N 1 0 430.289 3.828 20 0 IHADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001203283592 1126158436 /nfs/dbraw/zinc/15/84/36/1126158436.db2.gz SWRUKNVAHIIHLD-NRFANRHFSA-N 1 0 430.346 3.727 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC001198219283 1126155072 /nfs/dbraw/zinc/15/50/72/1126155072.db2.gz OJPIECZLRDDRJY-LJQANCHMSA-N 1 0 436.737 3.835 20 0 IHADRO CCn1c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nc2c1cccc2F ZINC001307928356 1126162042 /nfs/dbraw/zinc/16/20/42/1126162042.db2.gz HNTUTSNSXUBTBO-OAQYLSRUSA-N 1 0 432.337 3.967 20 0 IHADRO CCn1c(Br)c(Br)nc1C[NH2+][C@](C)(CO)Cc1ccc(F)cc1 ZINC001308479254 1126166549 /nfs/dbraw/zinc/16/65/49/1126166549.db2.gz HVLPCEHNAIJNDH-INIZCTEOSA-N 1 0 449.162 3.650 20 0 IHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001308974407 1126169070 /nfs/dbraw/zinc/16/90/70/1126169070.db2.gz HNEIKDYNAHXABQ-UYAOXDASSA-N 1 0 432.307 3.714 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Br)c(F)c2F)cc1OC ZINC001460872983 1126193458 /nfs/dbraw/zinc/19/34/58/1126193458.db2.gz VXMLIPIREZEPIN-LJQANCHMSA-N 1 0 430.289 3.828 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Br)cnc1F ZINC001474652858 1126205055 /nfs/dbraw/zinc/20/50/55/1126205055.db2.gz UXQVGCLBKXELIX-MRXNPFEDSA-N 1 0 432.131 3.829 20 0 IHADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1C ZINC001560495178 1126211390 /nfs/dbraw/zinc/21/13/90/1126211390.db2.gz LZXPOPQVMZWPTL-NRFANRHFSA-N 1 0 433.390 3.596 20 0 IHADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)[C@H](O)C1 ZINC001621039972 1126245258 /nfs/dbraw/zinc/24/52/58/1126245258.db2.gz GFASFNMOTQTXMT-JKSUJKDBSA-N 1 0 425.501 3.548 20 0 IHADRO FC(F)(F)[C@H]1N(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CCC12CC[NH2+]CC2 ZINC001164388928 718814378 /nfs/dbraw/zinc/81/43/78/718814378.db2.gz RQLNYGOPYOLFMH-AWEZNQCLSA-N 1 0 439.860 3.786 20 0 IHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001164388476 718814784 /nfs/dbraw/zinc/81/47/84/718814784.db2.gz OJUCWSQZPIRECR-AWEZNQCLSA-N 1 0 427.801 3.577 20 0 IHADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164389790 718815995 /nfs/dbraw/zinc/81/59/95/718815995.db2.gz ZBRDWAYGDRSSCB-CYBMUJFWSA-N 1 0 442.816 3.883 20 0 IHADRO COC(=O)c1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164413506 718880068 /nfs/dbraw/zinc/88/00/68/718880068.db2.gz JDYDRPOAQHICEM-GFCCVEGCSA-N 1 0 427.801 3.720 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(Cl)n1 ZINC001164414632 718880198 /nfs/dbraw/zinc/88/01/98/718880198.db2.gz VMNCWOBFBFWCQH-GFCCVEGCSA-N 1 0 427.801 3.720 20 0 IHADRO Cc1cccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)cnc2Cl)c1 ZINC001164414977 718885909 /nfs/dbraw/zinc/88/59/09/718885909.db2.gz CBTORPCUPAMLMB-UHFFFAOYSA-N 1 0 444.917 3.946 20 0 IHADRO [NH3+][C@@]12C[C@@H]1CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1)C2 ZINC001164421033 718895791 /nfs/dbraw/zinc/89/57/91/718895791.db2.gz OZZAJRSUSHSRFH-KPZWWZAWSA-N 1 0 443.281 3.613 20 0 IHADRO Cc1nc2c(n1-c1nc(CN3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)CC[NH2+]CC2 ZINC001164430736 718948901 /nfs/dbraw/zinc/94/89/01/718948901.db2.gz XISRFZLZDSTKNS-HNNXBMFYSA-N 1 0 436.629 3.594 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164615725 719007093 /nfs/dbraw/zinc/00/70/93/719007093.db2.gz JQMHVJHOGOCPRP-KUHUBIRLSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccc(OC)cc4nc3Cl)CC2)CC1 ZINC001164614624 719025249 /nfs/dbraw/zinc/02/52/49/719025249.db2.gz VQPZGPPZPBHCQG-UHFFFAOYSA-N 1 0 432.952 3.536 20 0 IHADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624943 719083421 /nfs/dbraw/zinc/08/34/21/719083421.db2.gz MBXNIYTUALUDDL-ROUUACIJSA-N 1 0 448.398 3.721 20 0 IHADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2CF)CC1 ZINC001164620224 719121478 /nfs/dbraw/zinc/12/14/78/719121478.db2.gz HZWILAPUHMRFGT-DOTOQJQBSA-N 1 0 429.609 3.679 20 0 IHADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3O2)n1 ZINC001164640356 719262123 /nfs/dbraw/zinc/26/21/23/719262123.db2.gz SQGDAUFXANDBFC-BVSLBCMMSA-N 1 0 437.588 3.826 20 0 IHADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164658562 719354555 /nfs/dbraw/zinc/35/45/55/719354555.db2.gz JEIDBUNHMFOVMS-UHFFFAOYSA-N 1 0 430.600 3.838 20 0 IHADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164660712 719355243 /nfs/dbraw/zinc/35/52/43/719355243.db2.gz XTQRWULHLUMLKJ-UHFFFAOYSA-N 1 0 439.567 3.962 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@@H]21 ZINC001164675061 719436726 /nfs/dbraw/zinc/43/67/26/719436726.db2.gz YLCWVFPHUKVAHW-FCHUYYIVSA-N 1 0 429.499 3.746 20 0 IHADRO CC(C)N(C)Cc1nn(-c2ncc(OCc3ccccc3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680519 719633806 /nfs/dbraw/zinc/63/38/06/719633806.db2.gz TXVJDCLFJDFNDS-UHFFFAOYSA-N 1 0 425.964 3.986 20 0 IHADRO CCOC(=O)c1c(Cl)c2ccccc2nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680551 719638871 /nfs/dbraw/zinc/63/88/71/719638871.db2.gz VSPWHSZHZMNGTK-UHFFFAOYSA-N 1 0 441.963 3.737 20 0 IHADRO Cc1ccccc1Oc1nc(Cl)ncc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685362 719649612 /nfs/dbraw/zinc/64/96/12/719649612.db2.gz ZNCKVQBEWQVHIZ-UHFFFAOYSA-N 1 0 426.952 3.902 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(F)cc3Cl)CC2)c2ccccc21 ZINC001164685190 719665107 /nfs/dbraw/zinc/66/51/07/719665107.db2.gz YLKYDLBURSUTQA-QGZVFWFLSA-N 1 0 444.982 3.968 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)CC2 ZINC001164685330 719710787 /nfs/dbraw/zinc/71/07/87/719710787.db2.gz VFSKCPVXWDZIHC-UHFFFAOYSA-N 1 0 441.579 3.991 20 0 IHADRO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1OCC ZINC001164695336 719892054 /nfs/dbraw/zinc/89/20/54/719892054.db2.gz OKOSWEFQMKRGGB-UHFFFAOYSA-N 1 0 445.585 3.590 20 0 IHADRO COc1cc2c(cc1F)ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696677 719895046 /nfs/dbraw/zinc/89/50/46/719895046.db2.gz HCMNPZSWYLRJRX-UHFFFAOYSA-N 1 0 428.533 3.710 20 0 IHADRO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707903 719899438 /nfs/dbraw/zinc/89/94/38/719899438.db2.gz YSLKHJGNMRBFLM-UHFFFAOYSA-N 1 0 437.565 3.954 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3nc[nH]c31)CC2 ZINC001164719101 720115173 /nfs/dbraw/zinc/11/51/73/720115173.db2.gz WBBNRIWLSOCNJX-QGZVFWFLSA-N 1 0 426.952 3.514 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164718545 720119414 /nfs/dbraw/zinc/11/94/14/720119414.db2.gz RYOPRGFHWGPARS-MRXNPFEDSA-N 1 0 444.992 3.642 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3Cc1ccccc1)C2 ZINC001164807335 720126606 /nfs/dbraw/zinc/12/66/06/720126606.db2.gz BXRUXGFHBLCELC-NVQXNPDNSA-N 1 0 431.584 3.664 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccco3)n1)CC2 ZINC001164713129 720148635 /nfs/dbraw/zinc/14/86/35/720148635.db2.gz RFOBUXJHFHVKMF-NRFANRHFSA-N 1 0 433.556 3.948 20 0 IHADRO CCc1nc2sc3c(c2c(N2CC[C@@]4(C2)C[N@H+](CC2CC2)C[C@@H]4COC)n1)CCC3 ZINC001164818435 720164421 /nfs/dbraw/zinc/16/44/21/720164421.db2.gz STISAXQEPPJEIS-OSPHWJPCSA-N 1 0 426.630 3.927 20 0 IHADRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc2cc(Cl)ccc12 ZINC001164714520 720189153 /nfs/dbraw/zinc/18/91/53/720189153.db2.gz GDAZYMATHLIXIO-OAQYLSRUSA-N 1 0 440.979 3.541 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccnc(Cl)c3)ccn1)CCC2 ZINC001164814065 720216734 /nfs/dbraw/zinc/21/67/34/720216734.db2.gz SGCRUWZATQKIJI-UHFFFAOYSA-N 1 0 438.963 3.604 20 0 IHADRO Cc1cc2nc(Cl)c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc2cc1C ZINC001164812167 720228209 /nfs/dbraw/zinc/22/82/09/720228209.db2.gz CGPZCNXCGRGEGX-UHFFFAOYSA-N 1 0 440.979 3.707 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3cccc(Cl)c3)ncn1)CCC2 ZINC001164813813 720238146 /nfs/dbraw/zinc/23/81/46/720238146.db2.gz PJWQIFNRSLPWTD-UHFFFAOYSA-N 1 0 438.963 3.604 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164815742 720247240 /nfs/dbraw/zinc/24/72/40/720247240.db2.gz DUBKPNDALLDIMX-UHFFFAOYSA-N 1 0 441.963 3.704 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2Cl)CC1 ZINC001164826541 720293593 /nfs/dbraw/zinc/29/35/93/720293593.db2.gz VOHBEIUKYHNUOY-CVEARBPZSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)CC1 ZINC001164820633 720294742 /nfs/dbraw/zinc/29/47/42/720294742.db2.gz HWYJZLOVSHWONY-HZPDHXFCSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC001164820497 720299533 /nfs/dbraw/zinc/29/95/33/720299533.db2.gz HGXWAQCSBWVWMV-FGZHOGPDSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc3c(Cl)ccnc32)CC1 ZINC001164832541 720316648 /nfs/dbraw/zinc/31/66/48/720316648.db2.gz UIEJAVSGJJIRTE-ROUUACIJSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164833327 720330190 /nfs/dbraw/zinc/33/01/90/720330190.db2.gz VXXPEVNDNPEGBI-RBUKOAKNSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2OCc2ccccc2)CC1 ZINC001164824181 720337102 /nfs/dbraw/zinc/33/71/02/720337102.db2.gz HFGXBZLDWWSFLK-GOTSBHOMSA-N 1 0 434.584 3.572 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c(Cl)ccc(F)c3n2)CC1 ZINC001164830078 720350895 /nfs/dbraw/zinc/35/08/95/720350895.db2.gz VEFQGISNNIOURO-PMACEKPBSA-N 1 0 430.955 3.939 20 0 IHADRO O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729821 720351173 /nfs/dbraw/zinc/35/11/73/720351173.db2.gz YLHWSQOQYWDPDK-UXHICEINSA-N 1 0 425.964 3.609 20 0 IHADRO Cc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1-c1ccccc1F ZINC001164829527 720352668 /nfs/dbraw/zinc/35/26/68/720352668.db2.gz SKADRLWVRIMUSC-YADHBBJMSA-N 1 0 437.563 3.503 20 0 IHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164730271 720428247 /nfs/dbraw/zinc/42/82/47/720428247.db2.gz JDQKWXHBKRPKCX-VQTJNVASSA-N 1 0 437.931 3.708 20 0 IHADRO O=C(c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)N1CCc2ccccc21 ZINC001164733798 720433744 /nfs/dbraw/zinc/43/37/44/720433744.db2.gz QBUDQFHOTPYDHK-DNQXCXABSA-N 1 0 425.536 3.533 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164728517 720503810 /nfs/dbraw/zinc/50/38/10/720503810.db2.gz GEBASNNSAGRBQJ-TZBSWOFLSA-N 1 0 435.572 3.648 20 0 IHADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164835341 720506890 /nfs/dbraw/zinc/50/68/90/720506890.db2.gz KEBUWHWIYNNZHZ-CSODHUTKSA-N 1 0 440.979 3.866 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834416 720521139 /nfs/dbraw/zinc/52/11/39/720521139.db2.gz GCFYLBUADGGIDQ-IJEWVQPXSA-N 1 0 445.345 3.903 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834417 720521413 /nfs/dbraw/zinc/52/14/13/720521413.db2.gz GCFYLBUADGGIDQ-OFQRWUPVSA-N 1 0 445.345 3.903 20 0 IHADRO COc1ccc(-c2csc3ncnc(N4Cc5nccn5C[C@@H](C[NH+](C)C)C4)c23)cc1 ZINC001164734600 720523841 /nfs/dbraw/zinc/52/38/41/720523841.db2.gz REANUJATIBRLFY-MRXNPFEDSA-N 1 0 434.569 3.761 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)C1 ZINC001164731775 720528861 /nfs/dbraw/zinc/52/88/61/720528861.db2.gz AHVPTQXJQNJFEJ-HNNXBMFYSA-N 1 0 432.906 3.736 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)C1 ZINC001164733098 720529571 /nfs/dbraw/zinc/52/95/71/720529571.db2.gz ISVHHHOESJVWDY-AWEZNQCLSA-N 1 0 428.993 3.742 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)C1 ZINC001164732589 720530233 /nfs/dbraw/zinc/53/02/33/720530233.db2.gz FNFIZTWUVHUGCX-FQEVSTJZSA-N 1 0 431.588 3.528 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)C1 ZINC001164736457 720533097 /nfs/dbraw/zinc/53/30/97/720533097.db2.gz YMVDWWZDSSXBRO-AWEZNQCLSA-N 1 0 433.343 3.970 20 0 IHADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2ncnc(Cl)c2n1 ZINC001164734360 720545241 /nfs/dbraw/zinc/54/52/41/720545241.db2.gz IBERREJLFMMEEH-ZDUSSCGKSA-N 1 0 425.911 3.739 20 0 IHADRO Cc1nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(Cl)c1C ZINC001164834257 720565354 /nfs/dbraw/zinc/56/53/54/720565354.db2.gz DAQLWVDBHQTYDZ-RCCFBDPRSA-N 1 0 438.954 3.866 20 0 IHADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164842245 720588734 /nfs/dbraw/zinc/58/87/34/720588734.db2.gz UWSKGCIKVYAZKI-VDZJLULYSA-N 1 0 427.984 3.748 20 0 IHADRO c1csc(-c2noc(-c3ccnc(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)c3)n2)c1 ZINC001164736728 720588663 /nfs/dbraw/zinc/58/86/63/720588663.db2.gz RVQZLQUPIXZKKI-UHFFFAOYSA-N 1 0 447.568 3.715 20 0 IHADRO c1cc2c(nc(-c3ccccn3)nc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)s1 ZINC001164736972 720591021 /nfs/dbraw/zinc/59/10/21/720591021.db2.gz WXMQCGSYLGUAEZ-UHFFFAOYSA-N 1 0 431.569 3.608 20 0 IHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164745653 720597971 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/nfs/dbraw/zinc/66/37/21/720663721.db2.gz AYAGXVAHPUEEMH-LJQANCHMSA-N 1 0 429.948 3.782 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(=O)N3CCCC3)ccn1)CC2 ZINC001164840399 720703437 /nfs/dbraw/zinc/70/34/37/720703437.db2.gz QMYWMWSYFJEQQM-HSZRJFAPSA-N 1 0 434.584 3.578 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164838889 720729588 /nfs/dbraw/zinc/72/95/88/720729588.db2.gz ZDCSJCZSIPKEBY-KRWDZBQOSA-N 1 0 438.906 3.815 20 0 IHADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739038 720737398 /nfs/dbraw/zinc/73/73/98/720737398.db2.gz HXFUOBKAFGJRQA-CABCVRRESA-N 1 0 431.874 3.565 20 0 IHADRO Fc1cc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)cnc1Cl ZINC001164845205 720742302 /nfs/dbraw/zinc/74/23/02/720742302.db2.gz XCBJYDUUFNLNFX-UHFFFAOYSA-N 1 0 448.880 3.776 20 0 IHADRO C[NH+](C)Cc1ccnc(N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)c1 ZINC001164845178 720744431 /nfs/dbraw/zinc/74/44/31/720744431.db2.gz 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CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4-c4ccccc4)C3)O2)CC1 ZINC001164893011 721413767 /nfs/dbraw/zinc/41/37/67/721413767.db2.gz ZVKOTZAHXBKDFK-YKSBVNFPSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883671 721418962 /nfs/dbraw/zinc/41/89/62/721418962.db2.gz BSINWECGXPBPIL-YADARESESA-N 1 0 429.008 3.962 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164887759 721423971 /nfs/dbraw/zinc/42/39/71/721423971.db2.gz NJHOYRVDAZAWDX-HYBUGGRVSA-N 1 0 445.007 3.662 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892340 721432471 /nfs/dbraw/zinc/43/24/71/721432471.db2.gz IELJWKUQDGFKHM-IBVKSMDESA-N 1 0 443.680 3.837 20 0 IHADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894916 721446290 /nfs/dbraw/zinc/44/62/90/721446290.db2.gz NGKLVZMZHCKOGZ-GEQKSPFYSA-N 1 0 436.044 3.717 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(OC(C)(C)C)n1)CC2 ZINC001164784332 721461828 /nfs/dbraw/zinc/46/18/28/721461828.db2.gz HJAZIFDKRDAPPP-OAQYLSRUSA-N 1 0 431.621 3.993 20 0 IHADRO CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@H]21 ZINC001164895047 721468169 /nfs/dbraw/zinc/46/81/69/721468169.db2.gz ZIKAHLAXPIPNTL-VQIMIIECSA-N 1 0 438.950 3.740 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164788083 721469146 /nfs/dbraw/zinc/46/91/46/721469146.db2.gz IDEDTPIBLYLPKB-OAQYLSRUSA-N 1 0 440.588 3.779 20 0 IHADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792971 721496186 /nfs/dbraw/zinc/49/61/86/721496186.db2.gz WQRVGXBGXOAQME-UHFFFAOYSA-N 1 0 443.979 3.644 20 0 IHADRO COC(=O)c1cc2ccncc2nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793023 721496824 /nfs/dbraw/zinc/49/68/24/721496824.db2.gz ZLQDLGFMTHKYEG-UHFFFAOYSA-N 1 0 431.540 3.692 20 0 IHADRO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795451 721499349 /nfs/dbraw/zinc/49/93/49/721499349.db2.gz HKSNKBCJOQWTEL-UHFFFAOYSA-N 1 0 429.952 3.583 20 0 IHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795276 721503806 /nfs/dbraw/zinc/50/38/06/721503806.db2.gz JFYLFSKAFIEPHA-MRXNPFEDSA-N 1 0 443.979 3.683 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164897172 721512977 /nfs/dbraw/zinc/51/29/77/721512977.db2.gz DWPONMGKLPGUGO-OCCSQVGLSA-N 1 0 433.261 3.809 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccnc4C4SCCCS4)CC[N@@H+]3C2)c1 ZINC001164901039 721525422 /nfs/dbraw/zinc/52/54/22/721525422.db2.gz WDQNNLYGJRGUND-FUHWJXTLSA-N 1 0 432.590 3.826 20 0 IHADRO O=C(Nc1ccccc1)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906717 721535584 /nfs/dbraw/zinc/53/55/84/721535584.db2.gz LCIJLIMRIGRMQF-FYYLOGMGSA-N 1 0 432.499 3.815 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)CC[N@@H+]3C2)c1 ZINC001164902533 721538673 /nfs/dbraw/zinc/53/86/73/721538673.db2.gz AFHUVPGZDASEFY-GMAHTHKFSA-N 1 0 443.526 3.961 20 0 IHADRO COc1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164904712 721539770 /nfs/dbraw/zinc/53/97/70/721539770.db2.gz GBCFYCIQPPVDTJ-GDBMZVCRSA-N 1 0 427.854 3.770 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC[N@@H+]3C2)c1 ZINC001164911510 721542332 /nfs/dbraw/zinc/54/23/32/721542332.db2.gz XCCXSEAAWNQSPJ-GOEBONIOSA-N 1 0 449.864 3.704 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCCC3)[C@@H]2CCCO[C@H]12 ZINC001164805071 721550705 /nfs/dbraw/zinc/55/07/05/721550705.db2.gz KSHQBOVFGKYIKP-NJYVYQBISA-N 1 0 427.980 3.662 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164799709 721571994 /nfs/dbraw/zinc/57/19/94/721571994.db2.gz DGHVLGYAKQYWCG-KCZVDYSFSA-N 1 0 448.571 3.692 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808601 721576982 /nfs/dbraw/zinc/57/69/82/721576982.db2.gz VEJOPTLOTOJTQL-GBESFXJTSA-N 1 0 429.996 3.999 20 0 IHADRO CCOC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164903290 721583547 /nfs/dbraw/zinc/58/35/47/721583547.db2.gz KVYKSEMNAHJXPH-JOCHJYFZSA-N 1 0 430.499 3.699 20 0 IHADRO COc1nc2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905419 721694633 /nfs/dbraw/zinc/69/46/33/721694633.db2.gz JBYHUCMDJNPIKC-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO COc1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908544 721704325 /nfs/dbraw/zinc/70/43/25/721704325.db2.gz XSPHRIYYLDHBCB-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO COc1cccc2cnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164906174 721706461 /nfs/dbraw/zinc/70/64/61/721706461.db2.gz KLKQSRMAYSBRTM-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO Nc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907329 721706944 /nfs/dbraw/zinc/70/69/44/721706944.db2.gz QYNZFYHFJSPJFQ-SFHVURJKSA-N 1 0 443.876 3.995 20 0 IHADRO Cc1noc(-c2cccnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913963 721725707 /nfs/dbraw/zinc/72/57/07/721725707.db2.gz ZRYZITVLWWHDBC-NRFANRHFSA-N 1 0 426.471 3.573 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)nc1 ZINC001165021764 721782499 /nfs/dbraw/zinc/78/24/99/721782499.db2.gz PKASFGICLMDLHR-QENXHYHDSA-N 1 0 439.604 3.668 20 0 IHADRO CCOC(=O)c1cnc(SC)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026914 721800401 /nfs/dbraw/zinc/80/04/01/721800401.db2.gz SIJDEKKHWDCRCV-PWIZWCRZSA-N 1 0 441.601 3.507 20 0 IHADRO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026030 721813951 /nfs/dbraw/zinc/81/39/51/721813951.db2.gz OVYXBJCFBPJFJJ-FFZOFVMBSA-N 1 0 443.979 3.500 20 0 IHADRO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]c-2n1 ZINC001165021660 721818694 /nfs/dbraw/zinc/81/86/94/721818694.db2.gz FUJMDRBWVPEEQT-DWLFOUALSA-N 1 0 433.556 3.872 20 0 IHADRO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028200 721821100 /nfs/dbraw/zinc/82/11/00/721821100.db2.gz UVSQJMAYGWEYNN-LESCRADOSA-N 1 0 437.922 3.815 20 0 IHADRO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)no1 ZINC001165024631 721823070 /nfs/dbraw/zinc/82/30/70/721823070.db2.gz KUTMOACAFDGEOD-VLCRHTCISA-N 1 0 446.555 3.762 20 0 IHADRO COC(=O)c1cc(Cl)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C ZINC001165020695 721830204 /nfs/dbraw/zinc/83/02/04/721830204.db2.gz DFGDGTHQGOHEAL-SCWSEQNSSA-N 1 0 428.964 3.962 20 0 IHADRO COc1cc(OC)c2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165022165 721831239 /nfs/dbraw/zinc/83/12/39/721831239.db2.gz GMHYZGSCSHXMLD-HSQYWUDLSA-N 1 0 433.556 3.779 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164922215 721836897 /nfs/dbraw/zinc/83/68/97/721836897.db2.gz GEVOPJFWTIXSSU-SGIRGMQISA-N 1 0 436.604 3.683 20 0 IHADRO CCOC(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1C ZINC001165017464 721837616 /nfs/dbraw/zinc/83/76/16/721837616.db2.gz MSJDCOWDEPKFDK-UHFFFAOYSA-N 1 0 427.545 3.685 20 0 IHADRO COC(=O)c1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncc1Cl ZINC001165021389 721838672 /nfs/dbraw/zinc/83/86/72/721838672.db2.gz MDRGUIXXCFUANC-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3nc(SC)sc32)CC1 ZINC001165023017 721842480 /nfs/dbraw/zinc/84/24/80/721842480.db2.gz WEVQTDMMGNUSHX-UHFFFAOYSA-N 1 0 445.614 3.926 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)nc(-c3ccncc3)n2)CC1 ZINC001165022723 721843430 /nfs/dbraw/zinc/84/34/30/721843430.db2.gz SQDNBEZETDHPFZ-UHFFFAOYSA-N 1 0 433.556 3.965 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164929439 721861849 /nfs/dbraw/zinc/86/18/49/721861849.db2.gz QCBVZTYKAKNHIF-HZPDHXFCSA-N 1 0 446.329 3.576 20 0 IHADRO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940584 721922614 /nfs/dbraw/zinc/92/26/14/721922614.db2.gz UJPMIGNZXGJPJC-UHFFFAOYSA-N 1 0 427.520 3.577 20 0 IHADRO O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001164961291 722049277 /nfs/dbraw/zinc/04/92/77/722049277.db2.gz YHXHUNSYEFEWHI-YJBOKZPZSA-N 1 0 448.901 3.601 20 0 IHADRO Fc1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cnc1Cl ZINC001164963833 722055169 /nfs/dbraw/zinc/05/51/69/722055169.db2.gz NAZOAAWXUQDFJR-UHFFFAOYSA-N 1 0 440.897 3.933 20 0 IHADRO Fc1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981658 722103558 /nfs/dbraw/zinc/10/35/58/722103558.db2.gz LUTLSHCEIPORJU-OXQOHEQNSA-N 1 0 427.911 3.545 20 0 IHADRO Clc1cc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)ccn1 ZINC001164986563 722107159 /nfs/dbraw/zinc/10/71/59/722107159.db2.gz ZHJGNTFBTZTLPW-VXKWHMMOSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978322 722111318 /nfs/dbraw/zinc/11/13/18/722111318.db2.gz OKNKCYJZTPUXSX-YADHBBJMSA-N 1 0 449.986 3.843 20 0 IHADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974083 722115883 /nfs/dbraw/zinc/11/58/83/722115883.db2.gz ILADKVDEGPLJTI-NVXWUHKLSA-N 1 0 426.870 3.541 20 0 IHADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972423 722116462 /nfs/dbraw/zinc/11/64/62/722116462.db2.gz FEOQEWWLGSNNIM-CRAIPNDOSA-N 1 0 426.870 3.541 20 0 IHADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982707 722118142 /nfs/dbraw/zinc/11/81/42/722118142.db2.gz XTXKIHDWTCDHAA-LPHOPBHVSA-N 1 0 447.917 3.884 20 0 IHADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981086 722119854 /nfs/dbraw/zinc/11/98/54/722119854.db2.gz SLJWIZJZMAPGKC-IFMALSPDSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981087 722120119 /nfs/dbraw/zinc/12/01/19/722120119.db2.gz SLJWIZJZMAPGKC-IRLDBZIGSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1cc(Cc2ccccc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982827 722133268 /nfs/dbraw/zinc/13/32/68/722133268.db2.gz SURPYVROJGEIQY-GMAHTHKFSA-N 1 0 449.986 3.843 20 0 IHADRO c1ccc(CSc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973334 722150913 /nfs/dbraw/zinc/15/09/13/722150913.db2.gz BTGYXFCQXZILRI-GOTSBHOMSA-N 1 0 447.608 3.891 20 0 IHADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@]5(CC[N@H+]5Cc5cccc(F)c5)C4)c3)cc21 ZINC001164994733 722198959 /nfs/dbraw/zinc/19/89/59/722198959.db2.gz PMLGQYXTGJTSMJ-SANMLTNESA-N 1 0 445.542 3.747 20 0 IHADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1=O ZINC001164996353 722206457 /nfs/dbraw/zinc/20/64/57/722206457.db2.gz UHXRYHXVCDKHGT-QHCPKHFHSA-N 1 0 443.954 3.878 20 0 IHADRO COC(=O)c1c(Cl)cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1OC ZINC001164993785 722206653 /nfs/dbraw/zinc/20/66/53/722206653.db2.gz BLWABBUOGZODPH-JOCHJYFZSA-N 1 0 433.911 3.914 20 0 IHADRO CCOc1c(Br)cc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)cc1OC ZINC001203581397 1126158991 /nfs/dbraw/zinc/15/89/91/1126158991.db2.gz MHXPDCJWXVWLJW-OAQYLSRUSA-N 1 0 438.362 3.948 20 0 IHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC001308702971 1126168337 /nfs/dbraw/zinc/16/83/37/1126168337.db2.gz HRYBJGCDAGTTAF-MRXNPFEDSA-N 1 0 434.323 3.659 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001460871266 1126193311 /nfs/dbraw/zinc/19/33/11/1126193311.db2.gz RRDOCZIIHJPQTQ-OAQYLSRUSA-N 1 0 428.330 3.695 20 0 IHADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001473752335 1126199131 /nfs/dbraw/zinc/19/91/31/1126199131.db2.gz WBTAERCNKXNPRJ-QFIPXVFZSA-N 1 0 442.357 3.998 20 0 IHADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](O)C1 ZINC001621039970 1126245351 /nfs/dbraw/zinc/24/53/51/1126245351.db2.gz GFASFNMOTQTXMT-HOTGVXAUSA-N 1 0 425.501 3.548 20 0 IHADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164388912 718815985 /nfs/dbraw/zinc/81/59/85/718815985.db2.gz RMVNAKNXTKCCKZ-ZDUSSCGKSA-N 1 0 442.816 3.883 20 0 IHADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)cc1 ZINC001164408076 718840004 /nfs/dbraw/zinc/84/00/04/718840004.db2.gz YBRHVSSZOQELEK-FQEVSTJZSA-N 1 0 442.592 3.823 20 0 IHADRO Fc1ccccc1-c1cc(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)cnc1Cl ZINC001164415894 718885731 /nfs/dbraw/zinc/88/57/31/718885731.db2.gz OQVOUZISEFKCKI-UHFFFAOYSA-N 1 0 448.880 3.776 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccn4)nc4ccccc43)CC2)CC1 ZINC001164618590 719031498 /nfs/dbraw/zinc/03/14/98/719031498.db2.gz UYYMBEJRCNMUKA-UHFFFAOYSA-N 1 0 445.567 3.936 20 0 IHADRO COc1ccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c(Cl)nn2)cc1 ZINC001164623007 719126507 /nfs/dbraw/zinc/12/65/07/719126507.db2.gz PXDARXZMOMEUGZ-BBRMVZONSA-N 1 0 426.870 3.864 20 0 IHADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000508368884 719236785 /nfs/dbraw/zinc/23/67/85/719236785.db2.gz CXZLZKHPHILPGH-QZTJIDSGSA-N 1 0 437.613 3.719 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164649745 719305647 /nfs/dbraw/zinc/30/56/47/719305647.db2.gz XPDOHRVDCCWERL-OUMCCJGNSA-N 1 0 426.605 3.625 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)nc1 ZINC001164684799 719600349 /nfs/dbraw/zinc/60/03/49/719600349.db2.gz JYVSMKBEKVUNJA-REWPJTCUSA-N 1 0 432.572 3.940 20 0 IHADRO CC(C)N(C)Cc1nn(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)c2c1CC[NH2+]C2 ZINC001164683695 719632561 /nfs/dbraw/zinc/63/25/61/719632561.db2.gz VAOBYPVGUIQNSR-UHFFFAOYSA-N 1 0 436.894 3.551 20 0 IHADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c2c1CC[NH2+]C2 ZINC001164680541 719633515 /nfs/dbraw/zinc/63/35/15/719633515.db2.gz VERBLLFWRJTIQH-UHFFFAOYSA-N 1 0 447.583 3.856 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4ncccc43)CC2)c2ccccc21 ZINC001164683147 719659084 /nfs/dbraw/zinc/65/90/84/719659084.db2.gz UUHCKVJGZQXHPU-HXUWFJFHSA-N 1 0 443.595 3.723 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4ccoc43)CC2)c2ccccc21 ZINC001164680643 719659768 /nfs/dbraw/zinc/65/97/68/719659768.db2.gz GSHXEPDBQIHTRP-FQEVSTJZSA-N 1 0 432.568 3.921 20 0 IHADRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1Cl ZINC001164680679 719661596 /nfs/dbraw/zinc/66/15/96/719661596.db2.gz HIXJLOWQUVVROD-SFHVURJKSA-N 1 0 442.007 3.532 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4c(n3)CCC4)CC2)c2ccccc21 ZINC001164681420 719664855 /nfs/dbraw/zinc/66/48/55/719664855.db2.gz OHVPMLJVLDUNIC-NRFANRHFSA-N 1 0 432.612 3.664 20 0 IHADRO CCCCc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164686589 719680945 /nfs/dbraw/zinc/68/09/45/719680945.db2.gz OWLVMBRXHJBTJN-OAQYLSRUSA-N 1 0 449.643 3.913 20 0 IHADRO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693791 719807847 /nfs/dbraw/zinc/80/78/47/719807847.db2.gz RGQMPVSYZVQAOG-UHFFFAOYSA-N 1 0 435.981 3.707 20 0 IHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cncc(N5CCCCCC5)n4)CC3)C2)c1 ZINC001164706320 719900245 /nfs/dbraw/zinc/90/02/45/719900245.db2.gz HUFABXKNIMYFHP-UHFFFAOYSA-N 1 0 427.618 3.790 20 0 IHADRO CCOc1cc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2cc1OCC ZINC001164814936 720118139 /nfs/dbraw/zinc/11/81/39/720118139.db2.gz UOYHYGACYFPCKS-UQBPGWFLSA-N 1 0 440.588 3.612 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164716983 720120337 /nfs/dbraw/zinc/12/03/37/720120337.db2.gz MUMBRJRFZYBITI-LJQANCHMSA-N 1 0 427.980 3.910 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816433 720124256 /nfs/dbraw/zinc/12/42/56/720124256.db2.gz YSYHSMCSAXKBPB-QFQXNSOFSA-N 1 0 449.574 3.803 20 0 IHADRO Cc1ccc2nc(Cl)cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164719203 720176119 /nfs/dbraw/zinc/17/61/19/720176119.db2.gz UJVIIKGOHJAAMG-OAQYLSRUSA-N 1 0 440.979 3.541 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164812395 720179493 /nfs/dbraw/zinc/17/94/93/720179493.db2.gz AFVRQBSBZFWQHH-PXDATVDWSA-N 1 0 425.548 3.984 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164815253 720201757 /nfs/dbraw/zinc/20/17/57/720201757.db2.gz XZYSAUMOCIKSAI-CRAIPNDOSA-N 1 0 434.795 3.883 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)c2Cl)CC1 ZINC001164822613 720297880 /nfs/dbraw/zinc/29/78/80/720297880.db2.gz NNYFPRJPJVOSFG-CVEARBPZSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)c2Cl)CC1 ZINC001164822615 720298435 /nfs/dbraw/zinc/29/84/35/720298435.db2.gz NNYFPRJPJVOSFG-HZPDHXFCSA-N 1 0 447.357 3.845 20 0 IHADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823278 720317694 /nfs/dbraw/zinc/31/76/94/720317694.db2.gz AGSKWVIJXIBHFK-LEWJYISDSA-N 1 0 442.991 3.808 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(OCc3ccccc3)n2)CC1 ZINC001164832461 720330914 /nfs/dbraw/zinc/33/09/14/720330914.db2.gz TYXKORWDBFPRIY-PKTZIBPZSA-N 1 0 434.584 3.572 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164828381 720344711 /nfs/dbraw/zinc/34/47/11/720344711.db2.gz ONUXKWLVJBLOEI-ZEQRLZLVSA-N 1 0 433.600 3.618 20 0 IHADRO CC(C)c1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C(C)(C)C)n1 ZINC001164824218 720345223 /nfs/dbraw/zinc/34/52/23/720345223.db2.gz HPQKHEPDVMXFCM-WOJBJXKFSA-N 1 0 427.637 3.809 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc3cc(F)c(Cl)cc32)CC1 ZINC001164825897 720350349 /nfs/dbraw/zinc/35/03/49/720350349.db2.gz JVGIISNTHLYVFT-RTWAWAEBSA-N 1 0 430.955 3.939 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821769 720356069 /nfs/dbraw/zinc/35/60/69/720356069.db2.gz BUJJFZVLHCPMOT-WOJBJXKFSA-N 1 0 442.991 3.808 20 0 IHADRO Cc1nc(CN2CCN(C)C3(CCN(c4[nH+]c(C)cc5ccccc54)CC3)C2=O)cs1 ZINC001164819230 720375088 /nfs/dbraw/zinc/37/50/88/720375088.db2.gz AFUNSRZGNUWTRV-UHFFFAOYSA-N 1 0 435.597 3.621 20 0 IHADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725907 720376994 /nfs/dbraw/zinc/37/69/94/720376994.db2.gz ODGHPWBHAZKJOO-RBUKOAKNSA-N 1 0 437.931 3.708 20 0 IHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164723924 720405157 /nfs/dbraw/zinc/40/51/57/720405157.db2.gz ICUMPZXOJJAECS-QZTJIDSGSA-N 1 0 426.883 3.705 20 0 IHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164730273 720428090 /nfs/dbraw/zinc/42/80/90/720428090.db2.gz JDQKWXHBKRPKCX-WOJBJXKFSA-N 1 0 437.931 3.708 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1 ZINC001164832934 720503457 /nfs/dbraw/zinc/50/34/57/720503457.db2.gz CAHPQSYBBKNXHW-KEZOAJOQSA-N 1 0 440.632 3.872 20 0 IHADRO COc1cccc(-c2nc3ccccc3c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)c1 ZINC001164734233 720528459 /nfs/dbraw/zinc/52/84/59/720528459.db2.gz OOTBWFACEKYFRA-GOSISDBHSA-N 1 0 428.540 3.700 20 0 IHADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164834567 720532555 /nfs/dbraw/zinc/53/25/55/720532555.db2.gz DYQHJYYYCDFDIZ-FUPPJEDESA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)OC(C)(C)C)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836358 720543176 /nfs/dbraw/zinc/54/31/76/720543176.db2.gz JRDQOPAHPBPASY-QHAWAJNXSA-N 1 0 425.577 3.611 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(Cl)n1 ZINC001164735293 720544258 /nfs/dbraw/zinc/54/42/58/720544258.db2.gz ODGNQJZNRFJIDO-CYBMUJFWSA-N 1 0 431.911 3.583 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837378 720548327 /nfs/dbraw/zinc/54/83/27/720548327.db2.gz MCTHPDALFLYFRA-CSODHUTKSA-N 1 0 440.979 3.866 20 0 IHADRO Cc1nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(Cl)c1C ZINC001164834256 720566603 /nfs/dbraw/zinc/56/66/03/720566603.db2.gz DAQLWVDBHQTYDZ-OKZBNKHCSA-N 1 0 438.954 3.866 20 0 IHADRO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164833601 720572563 /nfs/dbraw/zinc/57/25/63/720572563.db2.gz AOSLXOAGTGVEBL-YZUZCNPQSA-N 1 0 432.572 3.727 20 0 IHADRO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841412 720575763 /nfs/dbraw/zinc/57/57/63/720575763.db2.gz VBGDEGDILKOAPW-FDFHNCONSA-N 1 0 425.625 3.677 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(OCc4ccccc4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841498 720579716 /nfs/dbraw/zinc/57/97/16/720579716.db2.gz SJZSFJMFIHIDIM-RJGXRXQPSA-N 1 0 432.572 3.630 20 0 IHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164743119 720593900 /nfs/dbraw/zinc/59/39/00/720593900.db2.gz PJZBDCROGGFSBH-UHFFFAOYSA-N 1 0 432.302 3.668 20 0 IHADRO COc1ccc(-c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncn2)cc1 ZINC001164841217 720614655 /nfs/dbraw/zinc/61/46/55/720614655.db2.gz RSYLFYBKQHHYOJ-PQNGQFLHSA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837799 720626981 /nfs/dbraw/zinc/62/69/81/720626981.db2.gz JPGISJXMLVKACJ-AWRGLXIESA-N 1 0 443.599 3.602 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccncc4)nc4c3CCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837802 720627094 /nfs/dbraw/zinc/62/70/94/720627094.db2.gz JPGISJXMLVKACJ-ZFGGDYGUSA-N 1 0 443.599 3.602 20 0 IHADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840970 720664967 /nfs/dbraw/zinc/66/49/67/720664967.db2.gz OJSCVZMVYDAZCN-GBJNBNQZSA-N 1 0 435.568 3.918 20 0 IHADRO COC(=O)c1ccc2cnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2c1 ZINC001164837010 720667496 /nfs/dbraw/zinc/66/74/96/720667496.db2.gz 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Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164774114 721093497 /nfs/dbraw/zinc/09/34/97/721093497.db2.gz YVLBIWIMENVDRA-JKSUJKDBSA-N 1 0 432.906 3.520 20 0 IHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164873652 721124799 /nfs/dbraw/zinc/12/47/99/721124799.db2.gz JUSRXNPEVMIITQ-IAGOWNOFSA-N 1 0 433.890 3.636 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880323 721132708 /nfs/dbraw/zinc/13/27/08/721132708.db2.gz VWBZLYHESDFLIN-ROUUACIJSA-N 1 0 426.952 3.540 20 0 IHADRO Fc1ccc(-c2nc(Cl)cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164881101 721158952 /nfs/dbraw/zinc/15/89/52/721158952.db2.gz ZASNMXSUKKBVHO-WOJBJXKFSA-N 1 0 439.922 3.811 20 0 IHADRO c1ccc(CSc2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164871553 721168216 /nfs/dbraw/zinc/16/82/16/721168216.db2.gz FGRSZTUIXAKXNV-FCHUYYIVSA-N 1 0 433.581 3.644 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164880700 721178726 /nfs/dbraw/zinc/17/87/26/721178726.db2.gz XDDIXDXBOLVCDU-RBUKOAKNSA-N 1 0 444.963 3.565 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@H]3C2)cn1 ZINC001164772375 721196932 /nfs/dbraw/zinc/19/69/32/721196932.db2.gz UGCJOZVCZWHTRG-IAGOWNOFSA-N 1 0 442.926 3.753 20 0 IHADRO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001164764670 721238053 /nfs/dbraw/zinc/23/80/53/721238053.db2.gz PKADUFNFRGINIK-MOPGFXCFSA-N 1 0 438.963 3.923 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccccc4F)C[C@@H]3C2)cn1 ZINC001164760330 721238453 /nfs/dbraw/zinc/23/84/53/721238453.db2.gz DKRSURYFOFWKCG-SJORKVTESA-N 1 0 442.926 3.753 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164767982 721240528 /nfs/dbraw/zinc/24/05/28/721240528.db2.gz XITAEJDYVSUWMV-DLBZAZTESA-N 1 0 442.926 3.753 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164763285 721240625 /nfs/dbraw/zinc/24/06/25/721240625.db2.gz NDYPMLJZLYKKDO-KBPBESRZSA-N 1 0 432.302 3.505 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164779049 721342585 /nfs/dbraw/zinc/34/25/85/721342585.db2.gz POAGXYCIZRABLS-QHCPKHFHSA-N 1 0 430.980 3.948 20 0 IHADRO CCc1cc2c(ncnc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)s1 ZINC001164777352 721349531 /nfs/dbraw/zinc/34/95/31/721349531.db2.gz GLCURZCBXBOKIW-HSZRJFAPSA-N 1 0 441.601 3.978 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccncc4)cn3)C2)C1 ZINC001164787807 721365903 /nfs/dbraw/zinc/36/59/03/721365903.db2.gz ZYZKAGFITNVGEN-VWLOTQADSA-N 1 0 433.556 3.867 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5cc(F)ccc54)C3)O2)CC1 ZINC001164891863 721379616 /nfs/dbraw/zinc/37/96/16/721379616.db2.gz QZMNJPFRGPQCKJ-CVDCTZTESA-N 1 0 432.971 3.793 20 0 IHADRO 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CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(F)c5n4)C3)O2)CC1 ZINC001164890223 721447117 /nfs/dbraw/zinc/44/71/17/721447117.db2.gz CKWACLTWENCSPF-UZUQRXQVSA-N 1 0 432.971 3.793 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)C3)O2)CC1 ZINC001164887765 721448244 /nfs/dbraw/zinc/44/82/44/721448244.db2.gz JYYDOKYNVDFKES-YKSBVNFPSA-N 1 0 448.055 3.943 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3ccsc31)CC2 ZINC001164786897 721448373 /nfs/dbraw/zinc/44/83/73/721448373.db2.gz OPGLDFSHGAHKQQ-LJQANCHMSA-N 1 0 430.618 3.734 20 0 IHADRO CCOc1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164789381 721458802 /nfs/dbraw/zinc/45/88/02/721458802.db2.gz XNRDJLLXUAXGKH-LJQANCHMSA-N 1 0 438.012 3.868 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164784072 721459328 /nfs/dbraw/zinc/45/93/28/721459328.db2.gz GSAYDKLOVPBWNO-TZIWHRDSSA-N 1 0 425.976 3.933 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164789276 721459589 /nfs/dbraw/zinc/45/95/89/721459589.db2.gz WHRPSQABVOSFSE-QGZVFWFLSA-N 1 0 441.041 3.586 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164787599 721462832 /nfs/dbraw/zinc/46/28/32/721462832.db2.gz RONNBHJSHZQADN-KRWDZBQOSA-N 1 0 434.968 3.610 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ccc(OC)cc31)CC2 ZINC001164783645 721464094 /nfs/dbraw/zinc/46/40/94/721464094.db2.gz DZGMOABBLYOTRO-JOCHJYFZSA-N 1 0 439.600 3.977 20 0 IHADRO CCc1nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c(Cl)nc1C ZINC001164790059 721473427 /nfs/dbraw/zinc/47/34/27/721473427.db2.gz QNTNBWWYUFQQNS-LJQANCHMSA-N 1 0 437.028 3.735 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CC[N@@H+]3C2)c1 ZINC001164897200 721526168 /nfs/dbraw/zinc/52/61/68/721526168.db2.gz FIWCRIZQKCXONP-MJGOQNOKSA-N 1 0 425.895 3.673 20 0 IHADRO COC(=O)C[C@H](c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1)C1CC1 ZINC001164911104 721550849 /nfs/dbraw/zinc/55/08/49/721550849.db2.gz YMXSYHNTPSTZJM-PMVMPFDFSA-N 1 0 439.531 3.619 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CC[N@@H+]3C2)c1 ZINC001164911543 721552080 /nfs/dbraw/zinc/55/20/80/721552080.db2.gz ZHCVTQHUSBKLJY-ZFWWWQNUSA-N 1 0 434.302 3.813 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164908651 721560895 /nfs/dbraw/zinc/56/08/95/721560895.db2.gz RKJITXGOXGMAAB-FPOVZHCZSA-N 1 0 431.515 3.508 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164909642 721560948 /nfs/dbraw/zinc/56/09/48/721560948.db2.gz UMHGQWCYJUIWJW-FPOVZHCZSA-N 1 0 431.515 3.508 20 0 IHADRO COC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164904163 721586435 /nfs/dbraw/zinc/58/64/35/721586435.db2.gz DKCWVFQCJBMPTI-HXUWFJFHSA-N 1 0 436.890 3.654 20 0 IHADRO F[C@H](Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907813 721703908 /nfs/dbraw/zinc/70/39/08/721703908.db2.gz UJLLHMRJZFDVFQ-RBUKOAKNSA-N 1 0 426.870 3.995 20 0 IHADRO F[C@@H](Oc1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906845 721703936 /nfs/dbraw/zinc/70/39/36/721703936.db2.gz ORVSRYYLRSZQFV-MOPGFXCFSA-N 1 0 426.870 3.995 20 0 IHADRO COC(=O)c1ccc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907769 721708346 /nfs/dbraw/zinc/70/83/46/721708346.db2.gz TZYUTPQSFBOKBR-FQEVSTJZSA-N 1 0 436.890 3.654 20 0 IHADRO COc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164907275 721711174 /nfs/dbraw/zinc/71/11/74/721711174.db2.gz QHOTZPRYDOTVEH-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO Fc1ncccc1-c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905566 721716475 /nfs/dbraw/zinc/71/64/75/721716475.db2.gz HONZFPJWUDDPRB-QFIPXVFZSA-N 1 0 440.473 3.810 20 0 IHADRO CN(C)C(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164912596 721725118 /nfs/dbraw/zinc/72/51/18/721725118.db2.gz OFFUEMSXSMRKOY-NRFANRHFSA-N 1 0 449.933 3.570 20 0 IHADRO COc1cccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164913461 721725217 /nfs/dbraw/zinc/72/52/17/721725217.db2.gz VXRDTIIXWOZACU-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913076 721731961 /nfs/dbraw/zinc/73/19/61/721731961.db2.gz SFSRCMSPARMSFT-AUSIDOKSSA-N 1 0 442.558 3.846 20 0 IHADRO C[NH+](C)Cc1ccnc(N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001164912108 721742057 /nfs/dbraw/zinc/74/20/57/721742057.db2.gz LOMNRDSGQMAZPX-OZXSUGGESA-N 1 0 427.552 3.565 20 0 IHADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165016007 721767086 /nfs/dbraw/zinc/76/70/86/721767086.db2.gz VFTDUSKAPRTVCQ-UHFFFAOYSA-N 1 0 443.841 3.890 20 0 IHADRO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc21 ZINC001165025911 721807367 /nfs/dbraw/zinc/80/73/67/721807367.db2.gz PVIPZFTWCRJGOL-JWNTYJGQSA-N 1 0 431.540 3.548 20 0 IHADRO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165027124 721812388 /nfs/dbraw/zinc/81/23/88/721812388.db2.gz SJPPZPLNJQGLMK-APTRMMRNSA-N 1 0 445.567 3.938 20 0 IHADRO CN(C)C(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)c1 ZINC001165029593 721825286 /nfs/dbraw/zinc/82/52/86/721825286.db2.gz XGCWTLPEQYIQLK-NBHGPNQESA-N 1 0 427.980 3.569 20 0 IHADRO COC(=O)c1cc(Cl)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C ZINC001165020691 721830241 /nfs/dbraw/zinc/83/02/41/721830241.db2.gz DFGDGTHQGOHEAL-LRQRDZAKSA-N 1 0 428.964 3.962 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3nc(Cl)ccc32)CC1 ZINC001165023362 721839123 /nfs/dbraw/zinc/83/91/23/721839123.db2.gz VSFNBDHICHLUJA-UHFFFAOYSA-N 1 0 427.936 3.796 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(=O)NC(C)(C)C)ccn2)CC1 ZINC001165023227 721842630 /nfs/dbraw/zinc/84/26/30/721842630.db2.gz YVYVZXUWJGXRFS-UHFFFAOYSA-N 1 0 440.588 3.728 20 0 IHADRO COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(Cl)c1 ZINC001164937578 721920130 /nfs/dbraw/zinc/92/01/30/721920130.db2.gz DGSLUESEVRUMOJ-UHFFFAOYSA-N 1 0 429.948 3.701 20 0 IHADRO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939900 721922594 /nfs/dbraw/zinc/92/25/94/721922594.db2.gz PGZQHQLGAVRCNF-UHFFFAOYSA-N 1 0 429.948 3.701 20 0 IHADRO C[NH+](C)CC1CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCc2ccccc2)CC1 ZINC001165042699 721942380 /nfs/dbraw/zinc/94/23/80/721942380.db2.gz PNSUTGNIVPITOC-UHFFFAOYSA-N 1 0 438.906 3.810 20 0 IHADRO C[NH+]1CCN(c2cccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)n2)CC1 ZINC001165048749 721979890 /nfs/dbraw/zinc/97/98/90/721979890.db2.gz GIMFFNDLZYQJHF-UHFFFAOYSA-N 1 0 436.478 3.780 20 0 IHADRO COC(=O)CCN(Cc1ccco1)C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001165047296 721983090 /nfs/dbraw/zinc/98/30/90/721983090.db2.gz MKBHIDBMGPYRCX-UHFFFAOYSA-N 1 0 425.863 3.819 20 0 IHADRO CC[NH+](CC)C1CCN(c2cc3c(ncnc3Cl)n2S(=O)(=O)c2ccccc2)CC1 ZINC001165054056 722004914 /nfs/dbraw/zinc/00/49/14/722004914.db2.gz YEVHJAMMSQHAJX-UHFFFAOYSA-N 1 0 447.992 3.632 20 0 IHADRO FC(F)(Oc1ccc(Cl)nc1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964690 722054374 /nfs/dbraw/zinc/05/43/74/722054374.db2.gz WQMNFVBZYKCCSH-UHFFFAOYSA-N 1 0 438.906 3.674 20 0 IHADRO Fc1cccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972414 722110244 /nfs/dbraw/zinc/11/02/44/722110244.db2.gz FDJJBQZGSSOIHJ-VQIMIIECSA-N 1 0 427.911 3.545 20 0 IHADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCCCC2 ZINC001164976665 722113454 /nfs/dbraw/zinc/11/34/54/722113454.db2.gz MAYVNGBLVUVWHL-RXVVDRJESA-N 1 0 427.980 3.521 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983671 722128822 /nfs/dbraw/zinc/12/88/22/722128822.db2.gz YZQXXQCVLPPNEY-KNQAVFIVSA-N 1 0 429.524 3.807 20 0 IHADRO Fc1cccc(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164983892 722135205 /nfs/dbraw/zinc/13/52/05/722135205.db2.gz VYWZZSUHIJGZTR-UGKGYDQZSA-N 1 0 435.503 3.530 20 0 IHADRO Clc1cccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164984961 722144605 /nfs/dbraw/zinc/14/46/05/722144605.db2.gz YMBDYVNLJIMDNJ-OFNKIYASSA-N 1 0 435.959 3.919 20 0 IHADRO c1ccc(SCc2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973265 722154476 /nfs/dbraw/zinc/15/44/76/722154476.db2.gz LWFDRKBMLPVZPH-JTHBVZDNSA-N 1 0 447.608 3.891 20 0 IHADRO c1ccc(SCc2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973252 722154973 /nfs/dbraw/zinc/15/49/73/722154973.db2.gz LWFDRKBMLPVZPH-FYYLOGMGSA-N 1 0 447.608 3.891 20 0 IHADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972581 722156320 /nfs/dbraw/zinc/15/63/20/722156320.db2.gz INBNXMCXPFFSKZ-SJLPKXTDSA-N 1 0 440.947 3.995 20 0 IHADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993613 722198109 /nfs/dbraw/zinc/19/81/09/722198109.db2.gz FNYDKUKPNKYCDD-JOCHJYFZSA-N 1 0 432.927 3.620 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165001416 722249920 /nfs/dbraw/zinc/24/99/20/722249920.db2.gz QBLLORIIRXFFNR-SQJMNOBHSA-N 1 0 438.572 3.733 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc(C3CCCCC3)n1)CCC2 ZINC001165004955 722257877 /nfs/dbraw/zinc/25/78/77/722257877.db2.gz YOONWRSTJDIJIV-UHFFFAOYSA-N 1 0 433.000 3.863 20 0 IHADRO Cc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)ncc1Br ZINC001203283854 1126158391 /nfs/dbraw/zinc/15/83/91/1126158391.db2.gz WFFAEPVXHRYFIS-KRWDZBQOSA-N 1 0 428.168 3.998 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(F)cc2I)cc1 ZINC001203578874 1126158771 /nfs/dbraw/zinc/15/87/71/1126158771.db2.gz APJKYVRBXFQNBR-GOSISDBHSA-N 1 0 429.273 3.522 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC001198219265 1126154976 /nfs/dbraw/zinc/15/49/76/1126154976.db2.gz NUPRUKJCADZYLG-KRWDZBQOSA-N 1 0 433.268 3.869 20 0 IHADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC001308495439 1126167320 /nfs/dbraw/zinc/16/73/20/1126167320.db2.gz ZPJDDHLKAPKRLM-IBGZPJMESA-N 1 0 426.738 3.957 20 0 IHADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474115198 1126201861 /nfs/dbraw/zinc/20/18/61/1126201861.db2.gz ZZZQSIHPBXTBII-RTWAWAEBSA-N 1 0 428.573 3.839 20 0 IHADRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(Cl)cc1O ZINC001474626501 1126204733 /nfs/dbraw/zinc/20/47/33/1126204733.db2.gz NCBYSLILGOAMOR-LJQANCHMSA-N 1 0 426.738 3.826 20 0 IHADRO OC[C@@]1([NH2+]Cc2ncc(Br)s2)CCc2cc(Br)ccc2C1 ZINC001620418702 1126240151 /nfs/dbraw/zinc/24/01/51/1126240151.db2.gz BFIVNUQEORSXDY-OAHLLOKOSA-N 1 0 432.181 3.678 20 0 IHADRO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)cs2)cc1 ZINC001620625284 1126242631 /nfs/dbraw/zinc/24/26/31/1126242631.db2.gz PXFUXIGRHDMQNQ-QHCPKHFHSA-N 1 0 427.545 3.855 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c(Cl)n1 ZINC001164389439 718814774 /nfs/dbraw/zinc/81/47/74/718814774.db2.gz WGRLYGNMMSKHED-AWEZNQCLSA-N 1 0 427.801 3.577 20 0 IHADRO c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c12 ZINC001164401863 718840002 /nfs/dbraw/zinc/84/00/02/718840002.db2.gz BXAYOIAFABKVEY-LJQANCHMSA-N 1 0 428.565 3.514 20 0 IHADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)C2 ZINC001164401556 718854444 /nfs/dbraw/zinc/85/44/44/718854444.db2.gz BOXAWMNJOBESOV-LHSJRXKWSA-N 1 0 430.886 3.513 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(Cl)n1 ZINC001164414633 718880107 /nfs/dbraw/zinc/88/01/07/718880107.db2.gz VMNCWOBFBFWCQH-LBPRGKRZSA-N 1 0 427.801 3.720 20 0 IHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164413180 718880983 /nfs/dbraw/zinc/88/09/83/718880983.db2.gz CSKZMGPZNVWSTR-LBPRGKRZSA-N 1 0 427.801 3.720 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C)nc(Cl)c1)C2 ZINC001164619692 719007005 /nfs/dbraw/zinc/00/70/05/719007005.db2.gz WTULNNTYJUAWFW-OXQOHEQNSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164618235 719018208 /nfs/dbraw/zinc/01/82/08/719018208.db2.gz RINGAOUANAWJTE-DOPJRALCSA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164620138 719019214 /nfs/dbraw/zinc/01/92/14/719019214.db2.gz XQTIMASWFJKYAX-XOKHGSTOSA-N 1 0 437.874 3.557 20 0 IHADRO Cc1cc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc(N3CCOCC3)c2s1 ZINC001164621019 719085750 /nfs/dbraw/zinc/08/57/50/719085750.db2.gz GDPIMJGWDLYWQP-RBBKRZOGSA-N 1 0 449.624 3.937 20 0 IHADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1[C@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164638775 719214608 /nfs/dbraw/zinc/21/46/08/719214608.db2.gz PDOZKALOKTVBIJ-VTJXTGGHSA-N 1 0 438.378 3.946 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(Cl)cc3F)CC2)c2ccccc21 ZINC001164681024 719658137 /nfs/dbraw/zinc/65/81/37/719658137.db2.gz LSBRXOVBGDASND-QGZVFWFLSA-N 1 0 444.982 3.968 20 0 IHADRO CCOc1cccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681928 719665888 /nfs/dbraw/zinc/66/58/88/719665888.db2.gz OLNDMVGIXYRMRO-FQEVSTJZSA-N 1 0 436.600 3.574 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4scnc43)CC2)c2ccccc21 ZINC001164685719 719670394 /nfs/dbraw/zinc/67/03/94/719670394.db2.gz VUHBAOCHXIUIFY-GOSISDBHSA-N 1 0 449.624 3.785 20 0 IHADRO CCCc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)n1 ZINC001164680074 719673478 /nfs/dbraw/zinc/67/34/78/719673478.db2.gz BJLJVIHKSNLWSP-OAQYLSRUSA-N 1 0 449.643 3.831 20 0 IHADRO CCCc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686846 719674066 /nfs/dbraw/zinc/67/40/66/719674066.db2.gz XVDYCDYFEIRIFI-FQEVSTJZSA-N 1 0 435.616 3.523 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(F)c4cc[nH]c43)CC2)c2ccccc21 ZINC001164680854 719675610 /nfs/dbraw/zinc/67/56/10/719675610.db2.gz ICTGDLIBOWLUJM-GOSISDBHSA-N 1 0 449.574 3.795 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3scc(-c4cccs4)c31)CC2 ZINC001164686271 719707316 /nfs/dbraw/zinc/70/73/16/719707316.db2.gz YQWISPBXJKSFJO-UHFFFAOYSA-N 1 0 427.599 3.601 20 0 IHADRO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164699045 719895068 /nfs/dbraw/zinc/89/50/68/719895068.db2.gz WBKLOGWXXYCYCE-VURMDHGXSA-N 1 0 427.570 3.591 20 0 IHADRO Cc1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)nn1 ZINC001164707493 719898643 /nfs/dbraw/zinc/89/86/43/719898643.db2.gz ROJZGMMGPBAFBG-UHFFFAOYSA-N 1 0 428.936 3.916 20 0 IHADRO C[C@@H]1CCCN(c2cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ncn2)C1 ZINC001164707294 719901096 /nfs/dbraw/zinc/90/10/96/719901096.db2.gz OPIXIPCKKBAOIX-LJQANCHMSA-N 1 0 427.618 3.646 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3nc(Cl)ccc31)CC2 ZINC001164710615 720103420 /nfs/dbraw/zinc/10/34/20/720103420.db2.gz KBEGPZCEYIAUJU-GOSISDBHSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(OC)cccc31)CC2 ZINC001164710010 720104096 /nfs/dbraw/zinc/10/40/96/720104096.db2.gz FKSLAZIBGSGPDC-FQEVSTJZSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(OC)cccc31)CC2 ZINC001164710011 720104764 /nfs/dbraw/zinc/10/47/64/720104764.db2.gz FKSLAZIBGSGPDC-HXUWFJFHSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(OC(C)(C)C)n1)CC2 ZINC001164716389 720120251 /nfs/dbraw/zinc/12/02/51/720120251.db2.gz KRECDZDAIIYQKK-HXUWFJFHSA-N 1 0 425.577 3.556 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164711229 720147342 /nfs/dbraw/zinc/14/73/42/720147342.db2.gz GFNIAUCTVQAHBC-NRFANRHFSA-N 1 0 447.583 3.849 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164813066 720160446 /nfs/dbraw/zinc/16/04/46/720160446.db2.gz CMBOOPQNWBOWIW-LVXARBLLSA-N 1 0 435.616 3.805 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)C2 ZINC001164812997 720192191 /nfs/dbraw/zinc/19/21/91/720192191.db2.gz BJEIMSPNZGHBPP-CJFMBICVSA-N 1 0 438.572 3.771 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3ccc(Cl)cc31)CCC2 ZINC001164812893 720209064 /nfs/dbraw/zinc/20/90/64/720209064.db2.gz MUXWQMSUILLCAC-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)ncc(Cl)c1Cl)CCC2 ZINC001164811910 720225083 /nfs/dbraw/zinc/22/50/83/720225083.db2.gz AFJDNUVNUZYMGC-UHFFFAOYSA-N 1 0 430.767 3.849 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(Cl)c(Cl)cc31)CCC2 ZINC001164814477 720230855 /nfs/dbraw/zinc/23/08/55/720230855.db2.gz UPLHJZFFMLYEMF-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(Cl)ccc(F)c3n1)CCC2 ZINC001164818365 720243426 /nfs/dbraw/zinc/24/34/26/720243426.db2.gz YWWIGVQVEKBLQI-UHFFFAOYSA-N 1 0 429.927 3.835 20 0 IHADRO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164816718 720244028 /nfs/dbraw/zinc/24/40/28/720244028.db2.gz LRMFBAXTDZRIRM-OAHLLOKOSA-N 1 0 433.000 3.759 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc3cc(F)ccc32)CC1 ZINC001164816977 720287875 /nfs/dbraw/zinc/28/78/75/720287875.db2.gz APBPXJDIQYQNGG-PMACEKPBSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)CC1 ZINC001164820597 720296879 /nfs/dbraw/zinc/29/68/79/720296879.db2.gz HTTKHMYNSJRYOS-DLBZAZTESA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3ccc(F)cc32)CC1 ZINC001164821009 720306661 /nfs/dbraw/zinc/30/66/61/720306661.db2.gz IUCJREYRPNPQBC-VQTJNVASSA-N 1 0 430.955 3.939 20 0 IHADRO Cc1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC001164827977 720314948 /nfs/dbraw/zinc/31/49/48/720314948.db2.gz YULBWHKLLRGKTQ-WOJBJXKFSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3cccc(Cl)c32)CC1 ZINC001164827811 720318343 /nfs/dbraw/zinc/31/83/43/720318343.db2.gz ISGIICFOQHJXMG-MSOLQXFVSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nnc2-c2ccccc2)CC1 ZINC001164823830 720319050 /nfs/dbraw/zinc/31/90/50/720319050.db2.gz BJMXQGGMSDLRJB-VQTJNVASSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cc(Cl)c(Cl)cc32)CC1 ZINC001164830903 720330465 /nfs/dbraw/zinc/33/04/65/720330465.db2.gz QKZQHUMEJLCXMF-PMACEKPBSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1 ZINC001164821753 720336802 /nfs/dbraw/zinc/33/68/02/720336802.db2.gz BSBYLDMCSFLCQS-PMACEKPBSA-N 1 0 441.664 3.983 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827471 720337686 /nfs/dbraw/zinc/33/76/86/720337686.db2.gz LYYKJKGIMKMPIV-QZTJIDSGSA-N 1 0 434.028 3.647 20 0 IHADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164726732 720351610 /nfs/dbraw/zinc/35/16/10/720351610.db2.gz ROMIAEWIPGOWMF-FCHUYYIVSA-N 1 0 447.970 3.913 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828661 720352718 /nfs/dbraw/zinc/35/27/18/720352718.db2.gz PBJSCOODHICWPT-OALUTQOASA-N 1 0 432.012 3.617 20 0 IHADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722656 720359583 /nfs/dbraw/zinc/35/95/83/720359583.db2.gz GEXDBJUTIISQED-PMACEKPBSA-N 1 0 445.958 3.776 20 0 IHADRO Cc1nc(CN2CCN(C)C3(CC[NH+](C(C)(C)c4ccnc(Cl)c4)CC3)C2=O)cs1 ZINC001164825034 720385361 /nfs/dbraw/zinc/38/53/61/720385361.db2.gz TWLRGXUAGZRBAJ-UHFFFAOYSA-N 1 0 448.036 3.544 20 0 IHADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164835393 720531757 /nfs/dbraw/zinc/53/17/57/720531757.db2.gz HAPNHHKFEMPVNJ-QZNHQXDQSA-N 1 0 433.556 3.596 20 0 IHADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842407 720541028 /nfs/dbraw/zinc/54/10/28/720541028.db2.gz XCJYTVQSFVTIJW-XYJFISCASA-N 1 0 439.938 3.863 20 0 IHADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)s1 ZINC001164842151 720554927 /nfs/dbraw/zinc/55/49/27/720554927.db2.gz WZSDOUDUQSKAQF-BZUAXINKSA-N 1 0 431.997 3.622 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)COc3cccc(Cl)n3)CC[C@@H]21 ZINC001164839141 720565175 /nfs/dbraw/zinc/56/51/75/720565175.db2.gz PPOHMWNFQKBIKE-BZSNNMDCSA-N 1 0 439.938 3.777 20 0 IHADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164842244 720587625 /nfs/dbraw/zinc/58/76/25/720587625.db2.gz UWSKGCIKVYAZKI-SZVBFZGTSA-N 1 0 427.984 3.748 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@@H]21 ZINC001164836714 720594928 /nfs/dbraw/zinc/59/49/28/720594928.db2.gz GOMWQEGUBBRSPO-ZOBUZTSGSA-N 1 0 446.386 3.906 20 0 IHADRO COc1ccccc1-c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164844139 720613093 /nfs/dbraw/zinc/61/30/93/720613093.db2.gz YZNCWWSDPDOREO-ZRCGQRJVSA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4cccnc4)nc4c3CCC4)CC[C@@H]21 ZINC001164836827 720627617 /nfs/dbraw/zinc/62/76/17/720627617.db2.gz GZGMSSVLXXVFLB-DPLHUUCSSA-N 1 0 443.599 3.602 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)CC[C@@H]21 ZINC001164837801 720627891 /nfs/dbraw/zinc/62/78/91/720627891.db2.gz JPGISJXMLVKACJ-HFMPRLQTSA-N 1 0 443.599 3.602 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3ccnc(Cl)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840824 720637930 /nfs/dbraw/zinc/63/79/30/720637930.db2.gz QXULIAAUSZEICL-XYJFISCASA-N 1 0 425.911 3.734 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Oc3ccnc(Cl)c3)CC[C@@H]21 ZINC001164840818 720638284 /nfs/dbraw/zinc/63/82/84/720638284.db2.gz QXULIAAUSZEICL-BQFCYCMXSA-N 1 0 425.911 3.734 20 0 IHADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840974 720664131 /nfs/dbraw/zinc/66/41/31/720664131.db2.gz OJSCVZMVYDAZCN-RGPPVUSESA-N 1 0 435.568 3.918 20 0 IHADRO COC(=O)c1ccc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164844216 720670830 /nfs/dbraw/zinc/67/08/30/720670830.db2.gz YRPWEJRXFALJBI-NRFANRHFSA-N 1 0 446.551 3.676 20 0 IHADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740049 720679386 /nfs/dbraw/zinc/67/93/86/720679386.db2.gz PGPFRTDKXBLREF-SJORKVTESA-N 1 0 431.874 3.565 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164843822 720691513 /nfs/dbraw/zinc/69/15/13/720691513.db2.gz REBMVNALNWCINZ-INIZCTEOSA-N 1 0 429.977 4.000 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164843857 720692089 /nfs/dbraw/zinc/69/20/89/720692089.db2.gz RLVLYNWQFJUAHM-JOCHJYFZSA-N 1 0 436.600 3.870 20 0 IHADRO COC(=O)c1ccc(Cl)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839852 720694333 /nfs/dbraw/zinc/69/43/33/720694333.db2.gz CBFVZDPRSNBUMC-GOSISDBHSA-N 1 0 429.948 3.782 20 0 IHADRO CCOC(=O)/C=C\c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839887 720702076 /nfs/dbraw/zinc/70/20/76/720702076.db2.gz CPRKFPXPOMZIAW-GCFNWXKCSA-N 1 0 435.568 3.918 20 0 IHADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739312 720718973 /nfs/dbraw/zinc/71/89/73/720718973.db2.gz MYYDDOIIHUKNRY-JKSUJKDBSA-N 1 0 431.874 3.565 20 0 IHADRO CSc1nc(Cl)cc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)n1 ZINC001164836261 720736962 /nfs/dbraw/zinc/73/69/62/720736962.db2.gz CTVJFZQCZXRSCM-UHFFFAOYSA-N 1 0 428.940 3.646 20 0 IHADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164737227 720764991 /nfs/dbraw/zinc/76/49/91/720764991.db2.gz BCULWHMLMMCIKL-UXHICEINSA-N 1 0 442.498 3.568 20 0 IHADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)s1 ZINC001164745422 720775505 /nfs/dbraw/zinc/77/55/05/720775505.db2.gz VRUPFWWDWBOYSG-ZWKOTPCHSA-N 1 0 444.564 3.799 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(-c2ccccc2)nn1 ZINC001164737697 720828899 /nfs/dbraw/zinc/82/88/99/720828899.db2.gz CBRLPLPETBOGFI-QHAWAJNXSA-N 1 0 449.990 3.768 20 0 IHADRO Fc1cc2ccc(Cl)nc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164739182 720829469 /nfs/dbraw/zinc/82/94/69/720829469.db2.gz HNGSJTICZMAHHS-DFQSSKMNSA-N 1 0 440.954 3.998 20 0 IHADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164739976 720834332 /nfs/dbraw/zinc/83/43/32/720834332.db2.gz BEYAJYOZWAFEOS-OKZBNKHCSA-N 1 0 436.938 3.559 20 0 IHADRO COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164743095 720836683 /nfs/dbraw/zinc/83/66/83/720836683.db2.gz IOJSDZFRSSCYME-YOSAUDMPSA-N 1 0 432.572 3.523 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741804 720837088 /nfs/dbraw/zinc/83/70/88/720837088.db2.gz FPNDCYCICYVISK-IRFCIJBXSA-N 1 0 443.555 3.655 20 0 IHADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cccc(OCc5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741639 720840511 /nfs/dbraw/zinc/84/05/11/720840511.db2.gz FLRKZCVGHOAPEI-WXFUMESZSA-N 1 0 444.583 3.632 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@@H]2C1 ZINC001164852555 720844101 /nfs/dbraw/zinc/84/41/01/720844101.db2.gz KUYSQAHUSXKOCD-NVXWUHKLSA-N 1 0 430.599 3.593 20 0 IHADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747645 720856735 /nfs/dbraw/zinc/85/67/35/720856735.db2.gz IWCINEGPEGVPNZ-GBESFXJTSA-N 1 0 430.000 3.533 20 0 IHADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749756 720857064 /nfs/dbraw/zinc/85/70/64/720857064.db2.gz OEVUKFPGHIZQLH-MVJPYGJCSA-N 1 0 444.027 3.923 20 0 IHADRO c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc2c1 ZINC001164755307 720873348 /nfs/dbraw/zinc/87/33/48/720873348.db2.gz WJUPZKUZQTWVNZ-NVQXNPDNSA-N 1 0 429.568 3.780 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4sc(C)c(-c5ccccc5)c43)CC[C@H]2C1 ZINC001164859136 720876756 /nfs/dbraw/zinc/87/67/56/720876756.db2.gz LUDZRJMQFHCIHX-PMACEKPBSA-N 1 0 438.597 3.840 20 0 IHADRO c1ccc2c(c1)cnnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753291 720880763 /nfs/dbraw/zinc/88/07/63/720880763.db2.gz OPZWOZYCQSFVIN-ZEQKJWHPSA-N 1 0 429.568 3.780 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)CC[C@@H]2C1 ZINC001164854674 720883402 /nfs/dbraw/zinc/88/34/02/720883402.db2.gz FTHZDFPVWXLXLI-QAPCUYQASA-N 1 0 449.020 3.521 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]2C1 ZINC001164863676 720883541 /nfs/dbraw/zinc/88/35/41/720883541.db2.gz TZPQNJHXBRBMQL-APWZRJJASA-N 1 0 425.907 3.607 20 0 IHADRO Fc1ccc2ncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164753271 720885808 /nfs/dbraw/zinc/88/58/08/720885808.db2.gz GIIDMXYSGIPZDX-HFZDXXHNSA-N 1 0 447.558 3.919 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)CC[C@@H]2C1 ZINC001164864994 720887942 /nfs/dbraw/zinc/88/79/42/720887942.db2.gz XQVCYPLBWRIFPY-RDTXWAMCSA-N 1 0 425.907 3.648 20 0 IHADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164863672 720889442 /nfs/dbraw/zinc/88/94/42/720889442.db2.gz TYUCYJBBJPKUKF-NQIIRXRSSA-N 1 0 446.979 3.658 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@@H]2C1 ZINC001164855747 720892432 /nfs/dbraw/zinc/89/24/32/720892432.db2.gz CAMIQNXIOUIIIG-DNVCBOLYSA-N 1 0 441.906 3.713 20 0 IHADRO COc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164754534 720898020 /nfs/dbraw/zinc/89/80/20/720898020.db2.gz JFOHYAFFAUNFAM-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO Fc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164752790 720899332 /nfs/dbraw/zinc/89/93/32/720899332.db2.gz FZUAUDVAWHFXEW-GJZUVCINSA-N 1 0 447.558 3.919 20 0 IHADRO Nc1cc(F)c(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751768 720900003 /nfs/dbraw/zinc/90/00/03/720900003.db2.gz DMDFEFYUSBSJGZ-FDDCHVKYSA-N 1 0 445.970 3.606 20 0 IHADRO CCSc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748474 720919113 /nfs/dbraw/zinc/91/91/13/720919113.db2.gz GFCODBUKVGALEK-URXFXBBRSA-N 1 0 439.629 3.739 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc(C4CCC4)ncn2)C3)c1 ZINC001164747423 720927664 /nfs/dbraw/zinc/92/76/64/720927664.db2.gz DEDJWTKZLUPZLV-BVAGGSTKSA-N 1 0 433.600 3.894 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccnc2OC2CCC2)C3)c1 ZINC001164753800 720928304 /nfs/dbraw/zinc/92/83/04/720928304.db2.gz TUUNJZIQUUEBQN-BKMJKUGQSA-N 1 0 449.599 3.558 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)[C@@H]2C ZINC001164863158 720937539 /nfs/dbraw/zinc/93/75/39/720937539.db2.gz YKHMFDLVGWQBKC-QGZVFWFLSA-N 1 0 445.011 3.979 20 0 IHADRO COC(=O)c1cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cnc1Cl ZINC001164860710 720947057 /nfs/dbraw/zinc/94/70/57/720947057.db2.gz RIKUXGLTHPYRQN-CYBMUJFWSA-N 1 0 441.910 3.684 20 0 IHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164857117 720971698 /nfs/dbraw/zinc/97/16/98/720971698.db2.gz CKORVVNIUXFLIU-ZDUSSCGKSA-N 1 0 441.910 3.684 20 0 IHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164862773 720993392 /nfs/dbraw/zinc/99/33/92/720993392.db2.gz UMYUMWGNDGWQKM-CYBMUJFWSA-N 1 0 441.910 3.684 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)[C@H]2C ZINC001164859671 721006897 /nfs/dbraw/zinc/00/68/97/721006897.db2.gz LATMTFYQVUAALS-KRWDZBQOSA-N 1 0 445.011 3.979 20 0 IHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(CN5C(=O)CCC5=O)cn4)CC3)CC2)cc1 ZINC001164760563 721045525 /nfs/dbraw/zinc/04/55/25/721045525.db2.gz WHHSOBQLIQNHFT-UHFFFAOYSA-N 1 0 446.595 3.922 20 0 IHADRO Clc1cc2c(Cl)ccnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865184 721082967 /nfs/dbraw/zinc/08/29/67/721082967.db2.gz JLCFOWLQEXYGRA-HZPDHXFCSA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)C[C@H]3C2)cn1 ZINC001164763006 721094433 /nfs/dbraw/zinc/09/44/33/721094433.db2.gz FVHXYSFSTYEWLQ-UONOGXRCSA-N 1 0 438.935 3.581 20 0 IHADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164881205 721140904 /nfs/dbraw/zinc/14/09/04/721140904.db2.gz ZVQNAZRAWLIONE-VXKWHMMOSA-N 1 0 438.535 3.567 20 0 IHADRO CSc1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1Cl ZINC001164772286 721150630 /nfs/dbraw/zinc/15/06/30/721150630.db2.gz VGAFTVPFWAZJPX-CABCVRRESA-N 1 0 427.952 3.694 20 0 IHADRO Fc1ccc(COc2cccnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164874561 721161231 /nfs/dbraw/zinc/16/12/31/721161231.db2.gz KQXXJFXNHQWYCD-PKTZIBPZSA-N 1 0 434.515 3.674 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164874482 721163629 /nfs/dbraw/zinc/16/36/29/721163629.db2.gz KCCZMJPLFXIWFQ-RBUKOAKNSA-N 1 0 439.922 3.811 20 0 IHADRO Clc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164880981 721168890 /nfs/dbraw/zinc/16/88/90/721168890.db2.gz YMOWYVHLGAAHIB-IRXDYDNUSA-N 1 0 430.339 3.811 20 0 IHADRO c1cc2c(nc(-c3ccccn3)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164880453 721172760 /nfs/dbraw/zinc/17/27/60/721172760.db2.gz WSOJUFRVSNBWMN-RTBURBONSA-N 1 0 444.564 3.628 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001164763170 721232325 /nfs/dbraw/zinc/23/23/25/721232325.db2.gz MGTGQQMHWJJEEZ-KBPBESRZSA-N 1 0 449.855 3.991 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccccc4F)C[C@H]3C2)cn1 ZINC001164760323 721238496 /nfs/dbraw/zinc/23/84/96/721238496.db2.gz DKRSURYFOFWKCG-DLBZAZTESA-N 1 0 442.926 3.753 20 0 IHADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001164881259 721362190 /nfs/dbraw/zinc/36/21/90/721362190.db2.gz APUPRRZNVALKKL-UHFFFAOYSA-N 1 0 440.979 3.729 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164886352 721385403 /nfs/dbraw/zinc/38/54/03/721385403.db2.gz FJLUIRCFPWPZSS-BEFAXECRSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)O2)CC1 ZINC001164890956 721410514 /nfs/dbraw/zinc/41/05/14/721410514.db2.gz UTEMSNVJSINWCM-HNAYVOBHSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nnc4-c4ccccc4)C3)O2)CC1 ZINC001164891139 721412159 /nfs/dbraw/zinc/41/21/59/721412159.db2.gz VHPOEFZOUCXSFM-HYBUGGRVSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1ccc2cc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164890552 721423233 /nfs/dbraw/zinc/42/32/33/721423233.db2.gz SZNZJWOYTDNTCZ-RDPSFJRHSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164897827 721425317 /nfs/dbraw/zinc/42/53/17/721425317.db2.gz UTEXWTJUMJNGIH-RDPSFJRHSA-N 1 0 429.008 3.962 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Sc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164886539 721451249 /nfs/dbraw/zinc/45/12/49/721451249.db2.gz HCIUANZLYSQYKS-LPHOPBHVSA-N 1 0 446.995 3.638 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccc(F)cc31)CC2 ZINC001164786003 721452910 /nfs/dbraw/zinc/45/29/10/721452910.db2.gz LTGGPXZFQLZCKT-FQEVSTJZSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164785928 721455235 /nfs/dbraw/zinc/45/52/35/721455235.db2.gz IRRYPZXBRAQNJP-NQIIRXRSSA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164790042 721458315 /nfs/dbraw/zinc/45/83/15/721458315.db2.gz ZESIRWSXGFAPBS-LJQANCHMSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164790668 721466977 /nfs/dbraw/zinc/46/69/77/721466977.db2.gz UINCCOHXTXLEQU-HSZRJFAPSA-N 1 0 436.600 3.878 20 0 IHADRO CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21 ZINC001164895041 721467979 /nfs/dbraw/zinc/46/79/79/721467979.db2.gz ZIKAHLAXPIPNTL-APWZRJJASA-N 1 0 438.950 3.740 20 0 IHADRO CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@H]21 ZINC001164895045 721467998 /nfs/dbraw/zinc/46/79/98/721467998.db2.gz ZIKAHLAXPIPNTL-QFBILLFUSA-N 1 0 438.950 3.740 20 0 IHADRO CCc1nc2sccc2c(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789514 721470084 /nfs/dbraw/zinc/47/00/84/721470084.db2.gz NGGJJOMCCKBBCP-LJQANCHMSA-N 1 0 444.645 3.988 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164796614 721503629 /nfs/dbraw/zinc/50/36/29/721503629.db2.gz UACGOBNPHZHJSS-IBGZPJMESA-N 1 0 443.979 3.574 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164897174 721512681 /nfs/dbraw/zinc/51/26/81/721512681.db2.gz DWPONMGKLPGUGO-TZMCWYRMSA-N 1 0 433.261 3.809 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CC[N@@H+]3C2)c1 ZINC001164899586 721517034 /nfs/dbraw/zinc/51/70/34/721517034.db2.gz LFPYAUXFLCLQDV-IEBWSBKVSA-N 1 0 425.895 3.673 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CC[N@@H+]3C2)c1 ZINC001164899583 721517106 /nfs/dbraw/zinc/51/71/06/721517106.db2.gz LFPYAUXFLCLQDV-HKUYNNGSSA-N 1 0 425.895 3.673 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)ncc4Cl)CC[N@@H+]3C2)c1 ZINC001164897660 721522267 /nfs/dbraw/zinc/52/22/67/721522267.db2.gz GEAABIIWZHZQPU-TZMCWYRMSA-N 1 0 433.261 3.809 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccnc4C4SCCCS4)CC[N@@H+]3C2)c1 ZINC001164901037 721525578 /nfs/dbraw/zinc/52/55/78/721525578.db2.gz WDQNNLYGJRGUND-AEFFLSMTSA-N 1 0 432.590 3.826 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCc3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800975 721569369 /nfs/dbraw/zinc/56/93/69/721569369.db2.gz GBXUNSRXTSGWPY-JQYIIUTOSA-N 1 0 430.552 3.924 20 0 IHADRO COC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904101 721586138 /nfs/dbraw/zinc/58/61/38/721586138.db2.gz CYWPUCVYRVBUIL-FQEVSTJZSA-N 1 0 436.890 3.654 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808075 721588358 /nfs/dbraw/zinc/58/83/58/721588358.db2.gz PVAARGCHZQMUPL-IRFCIJBXSA-N 1 0 429.996 3.900 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3c2SCC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906648 721698604 /nfs/dbraw/zinc/69/86/04/721698604.db2.gz NVTXGVVMOZARNY-LJQANCHMSA-N 1 0 437.947 3.911 20 0 IHADRO FC1(F)CCN(c2nc3ncccc3nc2Cl)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908068 721702660 /nfs/dbraw/zinc/70/26/60/721702660.db2.gz UYZCUZVKVXHVGL-FQEVSTJZSA-N 1 0 430.890 3.811 20 0 IHADRO F[C@@H](Oc1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906854 721704038 /nfs/dbraw/zinc/70/40/38/721704038.db2.gz ORVSRYYLRSZQFV-RTBURBONSA-N 1 0 426.870 3.995 20 0 IHADRO FC(F)(c1cnnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904142 721705703 /nfs/dbraw/zinc/70/57/03/721705703.db2.gz AGDPVTWVUWBSRZ-KRWDZBQOSA-N 1 0 429.849 3.808 20 0 IHADRO FC(F)(c1nccnc1Cl)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904833 721720143 /nfs/dbraw/zinc/72/01/43/721720143.db2.gz DGSNBIZMZBOUCH-QGZVFWFLSA-N 1 0 429.849 3.808 20 0 IHADRO C=Cc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164907774 721721206 /nfs/dbraw/zinc/72/12/06/721721206.db2.gz UAKQJAYAJATMRN-FQEVSTJZSA-N 1 0 435.906 3.914 20 0 IHADRO CC1CCN(c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164909805 721725316 /nfs/dbraw/zinc/72/53/16/721725316.db2.gz DSKNNCGFPSTVTE-QHCPKHFHSA-N 1 0 442.558 3.846 20 0 IHADRO FC(F)(Oc1cnc(Cl)cn1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913814 721738056 /nfs/dbraw/zinc/73/80/56/721738056.db2.gz YBBIKPRJERTROS-QGZVFWFLSA-N 1 0 445.848 3.687 20 0 IHADRO O=C(c1ccco1)N1C[C@H]2CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@H]2C1 ZINC001165015498 721769621 /nfs/dbraw/zinc/76/96/21/721769621.db2.gz LTIAUMFVMHLKQA-VWNXMTODSA-N 1 0 442.563 3.974 20 0 IHADRO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165027248 721804255 /nfs/dbraw/zinc/80/42/55/721804255.db2.gz UXVCZMFEXATELX-AVCGJXAMSA-N 1 0 431.540 3.548 20 0 IHADRO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024262 721811573 /nfs/dbraw/zinc/81/15/73/721811573.db2.gz KDDCSOWOZAMWFT-WWPVKYPJSA-N 1 0 445.567 3.938 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@@H]21 ZINC001165027426 721821535 /nfs/dbraw/zinc/82/15/35/721821535.db2.gz SCCGDFRCPQEMMW-UCLAIMLFSA-N 1 0 449.933 3.511 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@@H]21 ZINC001165027284 721823987 /nfs/dbraw/zinc/82/39/87/721823987.db2.gz RVLKFVYTXVKETN-BPQIPLTHSA-N 1 0 437.922 3.729 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)C[C@@H]21 ZINC001165019089 721828543 /nfs/dbraw/zinc/82/85/43/721828543.db2.gz AUBYNVZONXIASQ-VNQPRFMTSA-N 1 0 444.370 3.859 20 0 IHADRO COC(=O)c1cc(Cl)cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023418 721838261 /nfs/dbraw/zinc/83/82/61/721838261.db2.gz WSCCCODJXQUZAC-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO CCOC(=O)c1cc(C)cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165019300 721838979 /nfs/dbraw/zinc/83/89/79/721838979.db2.gz CIKXQZMFPNYJMW-UHFFFAOYSA-N 1 0 427.545 3.685 20 0 IHADRO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CC[N@@H+]4CCN(C)C)n1)CCCC3 ZINC001164930924 721879691 /nfs/dbraw/zinc/87/96/91/721879691.db2.gz DJMNYONDOZMQFG-IRXDYDNUSA-N 1 0 431.675 3.648 20 0 IHADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929744 721884602 /nfs/dbraw/zinc/88/46/02/721884602.db2.gz CBZKTPYPYQCHBQ-FGZHOGPDSA-N 1 0 426.008 3.890 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164936093 721890138 /nfs/dbraw/zinc/89/01/38/721890138.db2.gz XSYGXQNQVGEEKJ-RBUKOAKNSA-N 1 0 439.913 3.696 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CCC3)C2)nc1 ZINC001164931194 721897854 /nfs/dbraw/zinc/89/78/54/721897854.db2.gz DMPOGXSOIPYFGM-BUZMGHMJSA-N 1 0 440.632 3.919 20 0 IHADRO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164937577 721920535 /nfs/dbraw/zinc/92/05/35/721920535.db2.gz DFAQITOKOGJIHD-UHFFFAOYSA-N 1 0 429.948 3.701 20 0 IHADRO COc1cc2c(cc1F)ncnc2N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939959 721928633 /nfs/dbraw/zinc/92/86/33/721928633.db2.gz PFEMMWWLBIYIBG-UHFFFAOYSA-N 1 0 436.531 3.957 20 0 IHADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047657 721968152 /nfs/dbraw/zinc/96/81/52/721968152.db2.gz LIMFJQDECFHSNU-IBGZPJMESA-N 1 0 439.585 3.513 20 0 IHADRO COc1cc2nc(C)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2cc1OC ZINC001164953853 722017592 /nfs/dbraw/zinc/01/75/92/722017592.db2.gz ZRZBVQROYURUQJ-UHFFFAOYSA-N 1 0 433.556 3.843 20 0 IHADRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)C3)n1 ZINC001164959847 722027359 /nfs/dbraw/zinc/02/73/59/722027359.db2.gz IYTDQPTZBGDZMJ-RSXGOPAZSA-N 1 0 436.600 3.972 20 0 IHADRO Cc1ccc(N2C[C@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)CC2=O)s1 ZINC001164961126 722044098 /nfs/dbraw/zinc/04/40/98/722044098.db2.gz MKDWBWDVNFENNT-HSZRJFAPSA-N 1 0 426.586 3.560 20 0 IHADRO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH]1 ZINC001164961734 722058868 /nfs/dbraw/zinc/05/88/68/722058868.db2.gz ORTVZNLZQRGIJB-UHFFFAOYSA-N 1 0 440.979 3.688 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cscn2)nc1 ZINC001164966518 722065657 /nfs/dbraw/zinc/06/56/57/722065657.db2.gz VNJRFZVFENHACU-QHAWAJNXSA-N 1 0 425.602 3.969 20 0 IHADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980716 722102294 /nfs/dbraw/zinc/10/22/94/722102294.db2.gz JYXBNKNZRYQTQY-DOTOQJQBSA-N 1 0 426.870 3.541 20 0 IHADRO CSc1nc2sccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986247 722103600 /nfs/dbraw/zinc/10/36/00/722103600.db2.gz YNVOYPNEVHIZJZ-WMZOPIPTSA-N 1 0 427.599 3.536 20 0 IHADRO Fc1cccc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979084 722112359 /nfs/dbraw/zinc/11/23/59/722112359.db2.gz OVEZCMFCTBVJKU-QFBILLFUSA-N 1 0 427.911 3.545 20 0 IHADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972425 722116816 /nfs/dbraw/zinc/11/68/16/722116816.db2.gz FEOQEWWLGSNNIM-QAPCUYQASA-N 1 0 426.870 3.541 20 0 IHADRO Clc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164974939 722118913 /nfs/dbraw/zinc/11/89/13/722118913.db2.gz JDCXVOVTFKSODJ-IFMALSPDSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164974945 722119332 /nfs/dbraw/zinc/11/93/32/722119332.db2.gz JDCXVOVTFKSODJ-UNMCSNQZSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1ncc(-c2ccccc2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981088 722119675 /nfs/dbraw/zinc/11/96/75/722119675.db2.gz SLJWIZJZMAPGKC-RBBKRZOGSA-N 1 0 435.959 3.919 20 0 IHADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971374 722122295 /nfs/dbraw/zinc/12/22/95/722122295.db2.gz BQBRTTLUMMOFOF-NFBKMPQASA-N 1 0 432.572 3.669 20 0 IHADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983373 722143386 /nfs/dbraw/zinc/14/33/86/722143386.db2.gz USSITKPTZMIKJB-PXNSSMCTSA-N 1 0 449.933 3.675 20 0 IHADRO Fc1ccc2c(Cl)nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981672 722150015 /nfs/dbraw/zinc/15/00/15/722150015.db2.gz PYVACZFUNMQJID-OXQOHEQNSA-N 1 0 427.911 3.545 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973900 722154007 /nfs/dbraw/zinc/15/40/07/722154007.db2.gz NMGDSDWGXHNNLX-RDPSFJRHSA-N 1 0 433.531 3.713 20 0 IHADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972577 722156002 /nfs/dbraw/zinc/15/60/02/722156002.db2.gz INBNXMCXPFFSKZ-FUHWJXTLSA-N 1 0 440.947 3.995 20 0 IHADRO FC(F)(N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975273 722157101 /nfs/dbraw/zinc/15/71/01/722157101.db2.gz QSBKRLHQQIJHCI-UYAOXDASSA-N 1 0 448.945 3.977 20 0 IHADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)cc(O[C@H]4CCOC4)n2)C3)c1 ZINC001164995037 722213216 /nfs/dbraw/zinc/21/32/16/722213216.db2.gz FNQMGOXROQDTOI-PGRDOPGGSA-N 1 0 432.927 3.682 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001165000375 722220392 /nfs/dbraw/zinc/22/03/92/722220392.db2.gz WRHHSVPNTDQGLU-LVXARBLLSA-N 1 0 448.567 3.991 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165002659 722254702 /nfs/dbraw/zinc/25/47/02/722254702.db2.gz RXVPZMFCEGIEBZ-UHFFFAOYSA-N 1 0 429.952 3.582 20 0 IHADRO Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)cs1 ZINC001165006281 722272940 /nfs/dbraw/zinc/27/29/40/722272940.db2.gz MZBJRMFAGNBTLL-OAQYLSRUSA-N 1 0 428.602 3.787 20 0 IHADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1I)C(F)(F)F ZINC000734843250 1126106569 /nfs/dbraw/zinc/10/65/69/1126106569.db2.gz IBYYTHQAYXKBGH-HZPDHXFCSA-N 1 0 435.227 3.915 20 0 IHADRO COC(=O)c1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1Cl ZINC001171949226 1126148687 /nfs/dbraw/zinc/14/86/87/1126148687.db2.gz NFHFAHQUJYNIGU-HXUWFJFHSA-N 1 0 438.749 3.899 20 0 IHADRO Cc1nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)sc1Br ZINC001171949747 1126148873 /nfs/dbraw/zinc/14/88/73/1126148873.db2.gz YLNSGECMJISWHX-MRXNPFEDSA-N 1 0 446.208 3.986 20 0 IHADRO CCOc1cc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)cc(Br)c1OC ZINC001179278335 1126151997 /nfs/dbraw/zinc/15/19/97/1126151997.db2.gz UYVOVOAMPUXQCR-OAQYLSRUSA-N 1 0 438.362 3.948 20 0 IHADRO Cn1c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nc2ccc(Cl)cc21 ZINC001182882043 1126153118 /nfs/dbraw/zinc/15/31/18/1126153118.db2.gz PSDZQWUEXZNANW-HXUWFJFHSA-N 1 0 434.765 3.999 20 0 IHADRO Cc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ncc1Br ZINC001203118891 1126157536 /nfs/dbraw/zinc/15/75/36/1126157536.db2.gz NKCCVGVMINAXBV-SFHVURJKSA-N 1 0 440.179 3.925 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC001203283822 1126158355 /nfs/dbraw/zinc/15/83/55/1126158355.db2.gz VWQQAKCQHINFIZ-LJQANCHMSA-N 1 0 444.272 3.863 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Br)c(F)c2F)cc1OC ZINC001460872981 1126193525 /nfs/dbraw/zinc/19/35/25/1126193525.db2.gz VXMLIPIREZEPIN-IBGZPJMESA-N 1 0 430.289 3.828 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc3c(cc2Br)OCCCO3)cc1 ZINC001473839267 1126199691 /nfs/dbraw/zinc/19/96/91/1126199691.db2.gz WILVZBSPMWENRD-OAQYLSRUSA-N 1 0 436.346 3.702 20 0 IHADRO FC(F)(F)[C@H]1N(c2ncnc3c2CN(Cc2ccccc2)CC3)CCC12CC[NH2+]CC2 ZINC001164388936 718814442 /nfs/dbraw/zinc/81/44/42/718814442.db2.gz RQMSNSOOKCEADN-NRFANRHFSA-N 1 0 431.506 3.546 20 0 IHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164388144 718814631 /nfs/dbraw/zinc/81/46/31/718814631.db2.gz MLGNXUADPNTSHT-AWEZNQCLSA-N 1 0 427.801 3.577 20 0 IHADRO COc1cc(Oc2ccnc(N3CCN4CC[NH2+]C[C@@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164402229 718837447 /nfs/dbraw/zinc/83/74/47/718837447.db2.gz DGLGJUFUYFDCED-OAQYLSRUSA-N 1 0 446.551 3.555 20 0 IHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414008 718880865 /nfs/dbraw/zinc/88/08/65/718880865.db2.gz PJBFICFMNWGJJS-LBPRGKRZSA-N 1 0 427.801 3.720 20 0 IHADRO C[N@H+](Cc1ccc(N2CCO[C@@H](c3ncn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416307 718890942 /nfs/dbraw/zinc/89/09/42/718890942.db2.gz DFZPFDULDJBAPB-GOSISDBHSA-N 1 0 442.361 3.664 20 0 IHADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164421879 718891899 /nfs/dbraw/zinc/89/18/99/718891899.db2.gz YZNORHCQEHDZFK-INIZCTEOSA-N 1 0 428.911 3.600 20 0 IHADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423246 718914472 /nfs/dbraw/zinc/91/44/72/718914472.db2.gz GNTYXNMYENWQDJ-GOSISDBHSA-N 1 0 432.298 3.672 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1C)C2 ZINC001164620930 719008979 /nfs/dbraw/zinc/00/89/79/719008979.db2.gz ZTCAAWJNXUYOLR-OXQOHEQNSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164620133 719018918 /nfs/dbraw/zinc/01/89/18/719018918.db2.gz XQTIMASWFJKYAX-RRQGHBQHSA-N 1 0 437.874 3.557 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC2)CC1 ZINC001164616472 719033925 /nfs/dbraw/zinc/03/39/25/719033925.db2.gz CXMVIRQXVIZGCU-UHFFFAOYSA-N 1 0 443.979 3.744 20 0 IHADRO c1ccc(CN2CCc3c(ncnc3N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)C2)cc1 ZINC001164625389 719045833 /nfs/dbraw/zinc/04/58/33/719045833.db2.gz PLQQZWZTTRTIBU-IGKIAQTJSA-N 1 0 425.580 3.618 20 0 IHADRO Clc1nnc(Cl)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1N1CCOCC1 ZINC001164627433 719114094 /nfs/dbraw/zinc/11/40/94/719114094.db2.gz KLKOCBPGJFKXNA-MSOLQXFVSA-N 1 0 448.398 3.721 20 0 IHADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164620580 719122668 /nfs/dbraw/zinc/12/26/68/719122668.db2.gz ILELBPKFVXOJBE-WBVHZDCISA-N 1 0 429.609 3.679 20 0 IHADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H](CF)[C@H](C5([NH3+])CC5)C3)n2)CCC4)CC1 ZINC001164625861 719122686 /nfs/dbraw/zinc/12/26/86/719122686.db2.gz ZFCQNUZYRIPPAE-FUHWJXTLSA-N 1 0 443.636 3.925 20 0 IHADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c(Cl)nn1 ZINC001164620609 719126184 /nfs/dbraw/zinc/12/61/84/719126184.db2.gz IZJWOMUFFZCODC-SWLSCSKDSA-N 1 0 426.870 3.864 20 0 IHADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164638773 719214084 /nfs/dbraw/zinc/21/40/84/719214084.db2.gz PDOZKALOKTVBIJ-PZPWOCDFSA-N 1 0 438.378 3.946 20 0 IHADRO CC(C)N(C)Cc1nn(-c2nc3ccccc3nc2N2CCCC[C@@H]2C)c2c1CC[NH2+]C2 ZINC001164680138 719638226 /nfs/dbraw/zinc/63/82/26/719638226.db2.gz PLKHUQHKXKCDTC-SFHVURJKSA-N 1 0 433.604 3.680 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)ccn3)CC2)c2ccccc21 ZINC001164680964 719657250 /nfs/dbraw/zinc/65/72/50/719657250.db2.gz KBVBXSWBVKYKGO-SFHVURJKSA-N 1 0 426.992 3.828 20 0 IHADRO Cc1nnc(Cl)cc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681010 719662627 /nfs/dbraw/zinc/66/26/27/719662627.db2.gz LCNVXKVDPOTUNY-SFHVURJKSA-N 1 0 442.007 3.532 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4cnccc43)CC2)c2ccccc21 ZINC001164684108 719673411 /nfs/dbraw/zinc/67/34/11/719673411.db2.gz SFGSUZMTACDKEA-NRFANRHFSA-N 1 0 443.595 3.723 20 0 IHADRO CC(C)Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164686143 719678608 /nfs/dbraw/zinc/67/86/08/719678608.db2.gz WQRIJHRFOBQSOB-OAQYLSRUSA-N 1 0 449.643 3.769 20 0 IHADRO CCCCc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164686584 719680896 /nfs/dbraw/zinc/68/08/96/719680896.db2.gz OWLVMBRXHJBTJN-NRFANRHFSA-N 1 0 449.643 3.913 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3nnc(COc4ccccn4)n3CC2)nc1 ZINC001164686493 719686633 /nfs/dbraw/zinc/68/66/33/719686633.db2.gz NTXGZWCLBYHWEI-OAQYLSRUSA-N 1 0 447.587 3.647 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)CC2 ZINC001164683606 719728134 /nfs/dbraw/zinc/72/81/34/719728134.db2.gz AXYNXDUOGVDXBI-UHFFFAOYSA-N 1 0 437.371 3.731 20 0 IHADRO COC(=O)c1ccc2nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)ncc2c1 ZINC001164691764 719805307 /nfs/dbraw/zinc/80/53/07/719805307.db2.gz JUKKMDMCIDDQTF-UHFFFAOYSA-N 1 0 437.569 3.816 20 0 IHADRO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164702820 719885944 /nfs/dbraw/zinc/88/59/44/719885944.db2.gz RALFQFWEMSJCQD-UHFFFAOYSA-N 1 0 435.977 3.845 20 0 IHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cncc(OCc5ccccc5)n4)CC3)C2)c1 ZINC001164694876 719888380 /nfs/dbraw/zinc/88/83/80/719888380.db2.gz GJPCSTPSAQNXQC-UHFFFAOYSA-N 1 0 436.581 3.989 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164809229 720076544 /nfs/dbraw/zinc/07/65/44/720076544.db2.gz IYVPMDCHXNIKQY-KSSFIOAISA-N 1 0 432.968 3.582 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164712061 720104735 /nfs/dbraw/zinc/10/47/35/720104735.db2.gz UUYOUXUSVMOKPQ-SFHVURJKSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164715508 720109353 /nfs/dbraw/zinc/10/93/53/720109353.db2.gz GRSOBGXCTNSZFE-KRWDZBQOSA-N 1 0 446.020 3.779 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)ccc31)CC2 ZINC001164716275 720117916 /nfs/dbraw/zinc/11/79/16/720117916.db2.gz KBOVFIKFRDWZQF-FQEVSTJZSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nccnc1Cl)CC2 ZINC001164712194 720135980 /nfs/dbraw/zinc/13/59/80/720135980.db2.gz KVCOMZULYCBXCV-QGZVFWFLSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(SC)nc(SC)n1)CC2 ZINC001164715307 720156116 /nfs/dbraw/zinc/15/61/16/720156116.db2.gz UNBNZEOVBQIGLH-GOSISDBHSA-N 1 0 445.658 3.823 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164816264 720157278 /nfs/dbraw/zinc/15/72/78/720157278.db2.gz KNISMUBISJGAEE-WAIKUNEKSA-N 1 0 425.964 3.949 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164818499 720173656 /nfs/dbraw/zinc/17/36/56/720173656.db2.gz SXFVUHAKTLKVMA-RDPSFJRHSA-N 1 0 447.023 3.546 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164817842 720176453 /nfs/dbraw/zinc/17/64/53/720176453.db2.gz QKMCGVGTBUGGNE-JYFHCDHNSA-N 1 0 435.568 3.623 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3cc(Cl)ccc31)CCC2 ZINC001164812688 720223038 /nfs/dbraw/zinc/22/30/38/720223038.db2.gz IFNNQOWDRXMOJL-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(N3CCCC3)cc3ccccc31)CCC2 ZINC001164814623 720238411 /nfs/dbraw/zinc/23/84/11/720238411.db2.gz ZOCLABOTUHCIFK-UHFFFAOYSA-N 1 0 446.599 3.642 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc3cc(F)ccc32)CC1 ZINC001164816979 720287447 /nfs/dbraw/zinc/28/74/47/720287447.db2.gz APBPXJDIQYQNGG-VQTJNVASSA-N 1 0 430.955 3.939 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164819051 720288414 /nfs/dbraw/zinc/28/84/14/720288414.db2.gz PEDBASAMPDQSAX-MOPGFXCFSA-N 1 0 427.618 3.726 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2Cl)CC1 ZINC001164823182 720297018 /nfs/dbraw/zinc/29/70/18/720297018.db2.gz PEXROHMMHBMOJG-IRXDYDNUSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2c(Cl)cc(Cl)nc2Cl)CC1 ZINC001164827322 720306371 /nfs/dbraw/zinc/30/63/71/720306371.db2.gz WNPORGUZWWXBSB-GJZGRUSLSA-N 1 0 431.795 3.953 20 0 IHADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825438 720319753 /nfs/dbraw/zinc/31/97/53/720319753.db2.gz FCHJQURIJMOXGD-NHCUHLMSSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(Cl)ncc(Cl)c2Cl)CC1 ZINC001164829474 720321088 /nfs/dbraw/zinc/32/10/88/720321088.db2.gz MQRKNRCDCASGRV-LSDHHAIUSA-N 1 0 431.795 3.953 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829060 720327571 /nfs/dbraw/zinc/32/75/71/720327571.db2.gz LOYZBSSRSUGXPD-UXHICEINSA-N 1 0 433.556 3.596 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC001164829429 720327866 /nfs/dbraw/zinc/32/78/66/720327866.db2.gz LVHNTQSOMQEWIS-VXKWHMMOSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(OCc3ccccc3)n2)CC1 ZINC001164832457 720330955 /nfs/dbraw/zinc/33/09/55/720330955.db2.gz TYXKORWDBFPRIY-DHIUTWEWSA-N 1 0 434.584 3.572 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3cccc(Cl)c3)ncn2)CC1 ZINC001164826658 720342698 /nfs/dbraw/zinc/34/26/98/720342698.db2.gz KQHIHQFRUWARPX-VXKWHMMOSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cl)c3ccc(Cl)cc32)CC1 ZINC001164821534 720347889 /nfs/dbraw/zinc/34/78/89/720347889.db2.gz APHXHBHRUXQCGV-MOPGFXCFSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)Sc2ccc(Cl)nc2)CC1 ZINC001164830826 720354109 /nfs/dbraw/zinc/35/41/09/720354109.db2.gz XNJBTYAONBUBLQ-DLBZAZTESA-N 1 0 444.979 3.785 20 0 IHADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725909 720376845 /nfs/dbraw/zinc/37/68/45/720376845.db2.gz ODGHPWBHAZKJOO-RTBURBONSA-N 1 0 437.931 3.708 20 0 IHADRO Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2ncccc2C[NH+]2CCCC2)C3)c1 ZINC001164724776 720496289 /nfs/dbraw/zinc/49/62/89/720496289.db2.gz HFDFVMLBHMWZKH-NBGIEHNGSA-N 1 0 440.563 3.541 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164728514 720504031 /nfs/dbraw/zinc/50/40/31/720504031.db2.gz GEBASNNSAGRBQJ-SLSDLSHTSA-N 1 0 435.572 3.648 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)OC(C)(C)C)ccn3)CC[C@@H]21 ZINC001164836716 720516634 /nfs/dbraw/zinc/51/66/34/720516634.db2.gz NNYOJINAUVVWPD-HKBOAZHASA-N 1 0 425.577 3.611 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cl)cc3-c3ccncc3)CC[C@@H]21 ZINC001164841724 720516843 /nfs/dbraw/zinc/51/68/43/720516843.db2.gz ZUCZNOZRSINMOQ-DYXWJJEUSA-N 1 0 437.979 3.766 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(OCc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834328 720519558 /nfs/dbraw/zinc/51/95/58/720519558.db2.gz FPKXAMXIAQPWLT-RJGXRXQPSA-N 1 0 432.572 3.630 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)CC[C@@H]21 ZINC001164834418 720520723 /nfs/dbraw/zinc/52/07/23/720520723.db2.gz GCFYLBUADGGIDQ-YCPHGPKFSA-N 1 0 445.345 3.903 20 0 IHADRO CSCc1nc2sc3c(c2c(N2Cc4nccn4C[C@H](C[NH+](C)C)C2)n1)CCCC3 ZINC001164732844 720524475 /nfs/dbraw/zinc/52/44/75/720524475.db2.gz FYCDWWLSRDFYKG-HNNXBMFYSA-N 1 0 442.658 3.828 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)C1 ZINC001164734546 720525950 /nfs/dbraw/zinc/52/59/50/720525950.db2.gz QCICBAABHWQTDG-OAHLLOKOSA-N 1 0 432.906 3.736 20 0 IHADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164834568 720531770 /nfs/dbraw/zinc/53/17/70/720531770.db2.gz DYQHJYYYCDFDIZ-MQSCRBSSSA-N 1 0 433.556 3.596 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3cc(OCc4ccccc4)ccc32)C1 ZINC001164735869 720532369 /nfs/dbraw/zinc/53/23/69/720532369.db2.gz SRMCCVRHKWUJFN-FQEVSTJZSA-N 1 0 428.540 3.603 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842543 720547637 /nfs/dbraw/zinc/54/76/37/720547637.db2.gz YCSWATPUQGIAKR-OEMFJLHTSA-N 1 0 444.583 3.908 20 0 IHADRO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c21 ZINC001164835342 720554718 /nfs/dbraw/zinc/55/47/18/720554718.db2.gz GVLGIDLNDAYQFC-YQVWRLOYSA-N 1 0 440.979 3.866 20 0 IHADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837323 720555418 /nfs/dbraw/zinc/55/54/18/720555418.db2.gz LQIBCIQXNQZJOG-QWFCFKBJSA-N 1 0 445.995 3.794 20 0 IHADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164838024 720557546 /nfs/dbraw/zinc/55/75/46/720557546.db2.gz NJEUHAYCUCTLFN-BRWVUGGUSA-N 1 0 439.938 3.863 20 0 IHADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164736145 720580444 /nfs/dbraw/zinc/58/04/44/720580444.db2.gz DTVWOORXGYAUTM-UHFFFAOYSA-N 1 0 425.540 3.547 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(Oc4cccc(F)c4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838716 720582870 /nfs/dbraw/zinc/58/28/70/720582870.db2.gz KZBVJGMHTOLFDZ-KAGYGMCKSA-N 1 0 436.535 3.982 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(n3)-c3ccccc3CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836841 720583479 /nfs/dbraw/zinc/58/34/79/720583479.db2.gz HBELHDOFBYRTOA-AOHZBQACSA-N 1 0 428.584 3.817 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(F)cc4ncnc(Cl)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841211 720586572 /nfs/dbraw/zinc/58/65/72/720586572.db2.gz RRSWUSIZQMBIOX-VDZJLULYSA-N 1 0 428.943 3.997 20 0 IHADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164835591 720600494 /nfs/dbraw/zinc/60/04/94/720600494.db2.gz BOFPWTZTECAJPO-AWRGLXIESA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841646 720616980 /nfs/dbraw/zinc/61/69/80/720616980.db2.gz UABQQCQSTWDUOP-YQQAZPJKSA-N 1 0 449.937 3.731 20 0 IHADRO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)s1 ZINC001164843140 720630302 /nfs/dbraw/zinc/63/03/02/720630302.db2.gz WXDHQXIOYQZGAB-IRFCIJBXSA-N 1 0 437.617 3.791 20 0 IHADRO COc1nc(-c2ccccc2)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839765 720697477 /nfs/dbraw/zinc/69/74/77/720697477.db2.gz BQNCFQFIZHZTMW-QFIPXVFZSA-N 1 0 445.567 3.807 20 0 IHADRO CN(C)C(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164837554 720715659 /nfs/dbraw/zinc/71/56/59/720715659.db2.gz DMSYTWMXIPEPPN-FQEVSTJZSA-N 1 0 442.991 3.697 20 0 IHADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164745796 720724952 /nfs/dbraw/zinc/72/49/52/720724952.db2.gz VTJZSGCWVLIBEY-NHCUHLMSSA-N 1 0 438.535 3.737 20 0 IHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164836268 720738744 /nfs/dbraw/zinc/73/87/44/720738744.db2.gz CWPJMVVMYWOWON-UHFFFAOYSA-N 1 0 448.905 3.957 20 0 IHADRO FC(F)(Oc1ccc(Cl)nc1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164845231 720741926 /nfs/dbraw/zinc/74/19/26/720741926.db2.gz XVWSTHYJMKPPDB-UHFFFAOYSA-N 1 0 446.889 3.517 20 0 IHADRO Cc1ccc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1Cl ZINC001164842072 720742357 /nfs/dbraw/zinc/74/23/57/720742357.db2.gz CHARAUQGDKTFMO-UHFFFAOYSA-N 1 0 444.917 3.946 20 0 IHADRO Cc1cc(Cl)nc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)c1 ZINC001164842941 720742794 /nfs/dbraw/zinc/74/27/94/720742794.db2.gz GHDUOWWMJGUHCK-UHFFFAOYSA-N 1 0 444.917 3.946 20 0 IHADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(Cl)n1 ZINC001164742212 720811606 /nfs/dbraw/zinc/81/16/06/720811606.db2.gz CMJGJRADMHEQPH-NZSAHSFTSA-N 1 0 436.938 3.559 20 0 IHADRO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164740716 720819906 /nfs/dbraw/zinc/81/99/06/720819906.db2.gz LCNXLMNWUOUAHZ-FBBABVLZSA-N 1 0 440.954 3.998 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738110 720828843 /nfs/dbraw/zinc/82/88/43/720828843.db2.gz DSPFUXLMLXYHBB-DCLXLUIPSA-N 1 0 432.572 3.523 20 0 IHADRO Clc1cccc(-c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)n1 ZINC001164738433 720829668 /nfs/dbraw/zinc/82/96/68/720829668.db2.gz FRIZKILCJJNCPZ-XQBPLPMBSA-N 1 0 449.990 3.768 20 0 IHADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739259 720830317 /nfs/dbraw/zinc/83/03/17/720830317.db2.gz HWSFNHUKLBEZPD-RZUBCFFCSA-N 1 0 449.990 3.768 20 0 IHADRO CCCCOc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164751906 720843222 /nfs/dbraw/zinc/84/32/22/720843222.db2.gz ZMVVMRFMUDNKFC-NNMXDRDESA-N 1 0 445.011 3.885 20 0 IHADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ncccc4OCc4ccccc4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749542 720845995 /nfs/dbraw/zinc/84/59/95/720845995.db2.gz WCMSHJHKLVLMMG-KMDXXIMOSA-N 1 0 444.583 3.632 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749605 720846261 /nfs/dbraw/zinc/84/62/61/720846261.db2.gz WNQVHACVWOQCPG-CEXWTWQISA-N 1 0 444.027 3.707 20 0 IHADRO Clc1cccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164747280 720847763 /nfs/dbraw/zinc/84/77/63/720847763.db2.gz QBYJBQWWFRIOCW-UNWVZKJWSA-N 1 0 449.990 3.768 20 0 IHADRO Clc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(-c2ccccc2)n1 ZINC001164751200 720851508 /nfs/dbraw/zinc/85/15/08/720851508.db2.gz QQTKMVOCTZZVMN-QHAWAJNXSA-N 1 0 449.990 3.768 20 0 IHADRO Cc1nc2ccoc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748003 720869042 /nfs/dbraw/zinc/86/90/42/720869042.db2.gz DIAHUYXREOBRJJ-BWKNWUBXSA-N 1 0 433.556 3.681 20 0 IHADRO c1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164754950 720871249 /nfs/dbraw/zinc/87/12/49/720871249.db2.gz UUUILQFODVAOFY-YKSBVNFPSA-N 1 0 435.597 3.841 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@H]2C1 ZINC001164859930 720872480 /nfs/dbraw/zinc/87/24/80/720872480.db2.gz NFKQGEFHVBBVFC-FZMZJTMJSA-N 1 0 444.737 3.760 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC[C@H]2C1 ZINC001164857534 720873333 /nfs/dbraw/zinc/87/33/33/720873333.db2.gz JVUUDHIAQMOSRN-FXAWDEMLSA-N 1 0 442.560 3.671 20 0 IHADRO CCc1ncnc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748475 720875180 /nfs/dbraw/zinc/87/51/80/720875180.db2.gz FHLCMQRGPPRMER-GBXCKJPGSA-N 1 0 442.007 3.843 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4Cl)nc(C)c3C)CC[C@H]2C1 ZINC001164861749 720882647 /nfs/dbraw/zinc/88/26/47/720882647.db2.gz QBOOKKDYGQCBLN-RXVVDRJESA-N 1 0 430.980 3.587 20 0 IHADRO Cc1nc(C)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)n1 ZINC001164749478 720885649 /nfs/dbraw/zinc/88/56/49/720885649.db2.gz ACJDCWOARVBPSI-XUZZJYLKSA-N 1 0 442.007 3.897 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4cccnc4n2)C3)c1 ZINC001164756929 720887036 /nfs/dbraw/zinc/88/70/36/720887036.db2.gz SGTPERRTHYFANI-OZXSUGGESA-N 1 0 429.568 3.780 20 0 IHADRO COc1cc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755684 720887802 /nfs/dbraw/zinc/88/78/02/720887802.db2.gz MNZNLCWTHCWNBB-HYBUGGRVSA-N 1 0 442.991 3.894 20 0 IHADRO COc1ccc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754899 720890961 /nfs/dbraw/zinc/89/09/61/720890961.db2.gz JMKBKENSROTPFJ-GBXCKJPGSA-N 1 0 442.991 3.894 20 0 IHADRO c1nc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164755109 720899957 /nfs/dbraw/zinc/89/99/57/720899957.db2.gz KVKPZLUEBSAEGC-YKSBVNFPSA-N 1 0 435.597 3.841 20 0 IHADRO CC(C)(C)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164755178 720911724 /nfs/dbraw/zinc/91/17/24/720911724.db2.gz ZHVHHUQFWSBANJ-BKMJKUGQSA-N 1 0 435.616 3.924 20 0 IHADRO CC(C)Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164748570 720917050 /nfs/dbraw/zinc/91/70/50/720917050.db2.gz HBRDMNKQGUJIJZ-OZXSUGGESA-N 1 0 435.616 3.825 20 0 IHADRO c1coc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164751309 720921018 /nfs/dbraw/zinc/92/10/18/720921018.db2.gz LFNJDTSQPNIDDH-ATIYNZHBSA-N 1 0 445.567 3.887 20 0 IHADRO COc1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755124 720926841 /nfs/dbraw/zinc/92/68/41/720926841.db2.gz YKIDMPFITQWPHT-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164864218 720971237 /nfs/dbraw/zinc/97/12/37/720971237.db2.gz ZUULPLMOCWJCOF-LBPRGKRZSA-N 1 0 441.363 3.578 20 0 IHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164857115 720972696 /nfs/dbraw/zinc/97/26/96/720972696.db2.gz CKORVVNIUXFLIU-CYBMUJFWSA-N 1 0 441.910 3.684 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ncn3Cc1ccccc1F)[C@H]2C ZINC001164861811 720974126 /nfs/dbraw/zinc/97/41/26/720974126.db2.gz QRPYUSFXOKIXPI-KRWDZBQOSA-N 1 0 448.550 3.632 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)[C@@H]2C ZINC001164856259 720990440 /nfs/dbraw/zinc/99/04/40/720990440.db2.gz AIHVFCSJTGQIJL-CYBMUJFWSA-N 1 0 435.910 3.841 20 0 IHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164862775 720994273 /nfs/dbraw/zinc/99/42/73/720994273.db2.gz UMYUMWGNDGWQKM-ZDUSSCGKSA-N 1 0 441.910 3.684 20 0 IHADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(NC(=O)c2ccccc2)n1 ZINC001164863949 721014397 /nfs/dbraw/zinc/01/43/97/721014397.db2.gz WAMBOQPVYGCVJT-SFHVURJKSA-N 1 0 433.560 3.655 20 0 IHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(S(=O)(=O)N(C)C)cn4)CC3)CC2)cc1 ZINC001164759596 721045969 /nfs/dbraw/zinc/04/59/69/721045969.db2.gz PITGQENMADCMJN-UHFFFAOYSA-N 1 0 442.629 3.523 20 0 IHADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865821 721049947 /nfs/dbraw/zinc/04/99/47/721049947.db2.gz AEDVFTCPPDTRIG-JKSUJKDBSA-N 1 0 429.298 3.808 20 0 IHADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164868120 721074467 /nfs/dbraw/zinc/07/44/67/721074467.db2.gz MJFKXYHPLYFWFV-IRXDYDNUSA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164774110 721093282 /nfs/dbraw/zinc/09/32/82/721093282.db2.gz YVLBIWIMENVDRA-HZPDHXFCSA-N 1 0 432.906 3.520 20 0 IHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866976 721109106 /nfs/dbraw/zinc/10/91/06/721109106.db2.gz WBGMVNWVZCUKMT-IRXDYDNUSA-N 1 0 445.901 3.703 20 0 IHADRO CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164770860 721184544 /nfs/dbraw/zinc/18/45/44/721184544.db2.gz OYVVKKFGVRWNEZ-CABCVRRESA-N 1 0 427.952 3.694 20 0 IHADRO FC(F)(N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164871767 721191695 /nfs/dbraw/zinc/19/16/95/721191695.db2.gz ZWYZDIDCLPQFQX-RTBURBONSA-N 1 0 434.918 3.730 20 0 IHADRO Cc1nc2sc3c(c2c(N2C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C2)n1)CCCCC3 ZINC001164762686 721201841 /nfs/dbraw/zinc/20/18/41/721201841.db2.gz DDKGXXMBMHLMKL-MOPGFXCFSA-N 1 0 436.629 3.960 20 0 IHADRO CCN1C(=O)[C@]2(CC[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]32)N=C1C ZINC001164872886 721227883 /nfs/dbraw/zinc/22/78/83/721227883.db2.gz OWDROBHRDPHSFA-VBANMALSSA-N 1 0 443.595 3.505 20 0 IHADRO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164766511 721249767 /nfs/dbraw/zinc/24/97/67/721249767.db2.gz UPDHMZOTGNDDOI-WBVHZDCISA-N 1 0 429.927 3.728 20 0 IHADRO C[N@H+](Cc1ccc(N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872028 721258950 /nfs/dbraw/zinc/25/89/50/721258950.db2.gz CPMSCUXPXPVGGL-BVAGGSTKSA-N 1 0 434.584 3.624 20 0 IHADRO c1csc(CN2C[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164781628 721403380 /nfs/dbraw/zinc/40/33/80/721403380.db2.gz CIKBOWPUGRSMDA-SZPZYZBQSA-N 1 0 431.609 3.665 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883669 721419209 /nfs/dbraw/zinc/41/92/09/721419209.db2.gz BSINWECGXPBPIL-NTKDMRAZSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164897821 721425644 /nfs/dbraw/zinc/42/56/44/721425644.db2.gz UTEXWTJUMJNGIH-HYBUGGRVSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1c(Cl)ccc2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164896202 721427993 /nfs/dbraw/zinc/42/79/93/721427993.db2.gz RBMBIURTDSKSSP-RDPSFJRHSA-N 1 0 429.008 3.962 20 0 IHADRO CC(C)c1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894864 721441509 /nfs/dbraw/zinc/44/15/09/721441509.db2.gz MTAMQYJBSLLIQG-CPJSRVTESA-N 1 0 429.653 3.663 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c(F)cccc45)C3)O2)CC1 ZINC001164884944 721450660 /nfs/dbraw/zinc/45/06/60/721450660.db2.gz CXIVXWQBRNCJDR-HXOBKFHXSA-N 1 0 432.971 3.793 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164783290 721456114 /nfs/dbraw/zinc/45/61/14/721456114.db2.gz BHKKLNZUZPTCHN-QFIPXVFZSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)c3ccccc3n1)CC2 ZINC001164784805 721463719 /nfs/dbraw/zinc/46/37/19/721463719.db2.gz KJRXYCQPNQOOQM-NRFANRHFSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1ccn3C(C)C)CC2 ZINC001164790155 721464454 /nfs/dbraw/zinc/46/44/54/721464454.db2.gz ZTABAIRZHDEOLZ-NRFANRHFSA-N 1 0 441.620 3.746 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164789280 721465157 /nfs/dbraw/zinc/46/51/57/721465157.db2.gz WJCISRGROJHWPE-QGZVFWFLSA-N 1 0 441.041 3.586 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1 ZINC001164793850 721475512 /nfs/dbraw/zinc/47/55/12/721475512.db2.gz YSWJHRGEORGJQD-QFIPXVFZSA-N 1 0 432.576 3.637 20 0 IHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900349 721513019 /nfs/dbraw/zinc/51/30/19/721513019.db2.gz QWAGGRNJGYSKHT-SJLPKXTDSA-N 1 0 433.911 3.701 20 0 IHADRO CSc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164896315 721514358 /nfs/dbraw/zinc/51/43/58/721514358.db2.gz AZFICAIFSOWYEJ-HIFRSBDPSA-N 1 0 444.910 3.878 20 0 IHADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2ccccc21 ZINC001164803687 721552246 /nfs/dbraw/zinc/55/22/46/721552246.db2.gz ISMRPAGDCXWNMB-SONWIMMPSA-N 1 0 446.551 3.675 20 0 IHADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909214 721561587 /nfs/dbraw/zinc/56/15/87/721561587.db2.gz SYPNUVWMOMZDSQ-UNMCSNQZSA-N 1 0 447.514 3.518 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CC[N@@H+]3C2)c1 ZINC001164907543 721564966 /nfs/dbraw/zinc/56/49/66/721564966.db2.gz OERYKYKLIJEZQH-PKOBYXMFSA-N 1 0 425.895 3.673 20 0 IHADRO CSc1ncc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907863 721722119 /nfs/dbraw/zinc/72/21/19/721722119.db2.gz UWFDMSGOJZKNCS-SFHVURJKSA-N 1 0 425.936 3.985 20 0 IHADRO FC1(F)CCN(c2nc[nH]c3nc(=S)sc2-3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907402 721722314 /nfs/dbraw/zinc/72/23/14/721722314.db2.gz ROWZVXOVQNDJAW-SFHVURJKSA-N 1 0 434.541 3.508 20 0 IHADRO COc1nnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164904863 721722941 /nfs/dbraw/zinc/72/29/41/721722941.db2.gz DPBKENVHOXATFM-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO COc1nnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164904866 721723340 /nfs/dbraw/zinc/72/33/40/721723340.db2.gz DPBKENVHOXATFM-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO FC1(F)CCN(c2ccnc(N3CCCCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908640 721723595 /nfs/dbraw/zinc/72/35/95/721723595.db2.gz YIPQMKMRLVQFFI-JOCHJYFZSA-N 1 0 428.531 3.600 20 0 IHADRO CC(C)n1cnc2cnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164910605 721724499 /nfs/dbraw/zinc/72/44/99/721724499.db2.gz GTOWLCFROGYVMB-NRFANRHFSA-N 1 0 427.503 3.540 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(OCc3ccccc3)cc2Cl)CC1 ZINC001165010790 721743113 /nfs/dbraw/zinc/74/31/13/721743113.db2.gz PHGNMJUUTGFLMG-UHFFFAOYSA-N 1 0 442.991 3.837 20 0 IHADRO COC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026137 721803961 /nfs/dbraw/zinc/80/39/61/721803961.db2.gz PYGJACPMSPRAFI-ZEYPLWLESA-N 1 0 431.540 3.548 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)C[C@@H]21 ZINC001165026346 721804775 /nfs/dbraw/zinc/80/47/75/721804775.db2.gz QUPWMBYMEKBIPB-YZGWKJHDSA-N 1 0 438.576 3.956 20 0 IHADRO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc21 ZINC001165025909 721807167 /nfs/dbraw/zinc/80/71/67/721807167.db2.gz PVIPZFTWCRJGOL-HYVJGQCMSA-N 1 0 431.540 3.548 20 0 IHADRO COc1cc2ncc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165020771 721810286 /nfs/dbraw/zinc/81/02/86/721810286.db2.gz CWERIWZWZTYKEP-LRXVAGHRSA-N 1 0 433.556 3.779 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@H]21 ZINC001165027287 721823917 /nfs/dbraw/zinc/82/39/17/721823917.db2.gz RVLKFVYTXVKETN-KBAYOESNSA-N 1 0 437.922 3.729 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)C[C@H]21 ZINC001165019084 721828613 /nfs/dbraw/zinc/82/86/13/721828613.db2.gz AUBYNVZONXIASQ-FVQBIDKESA-N 1 0 444.370 3.859 20 0 IHADRO COC(=O)c1cc(Cl)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165021344 721838496 /nfs/dbraw/zinc/83/84/96/721838496.db2.gz LUKBROMWBKQBPQ-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164928254 721866165 /nfs/dbraw/zinc/86/61/65/721866165.db2.gz XZPDWLPWCXFVNQ-CVEARBPZSA-N 1 0 430.330 3.696 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923129 721866597 /nfs/dbraw/zinc/86/65/97/721866597.db2.gz IHQHRBNCFNBAHP-HUUCEWRRSA-N 1 0 430.330 3.696 20 0 IHADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nn2)c1 ZINC001164934016 721890342 /nfs/dbraw/zinc/89/03/42/721890342.db2.gz NZUSSBZQCXLNJF-PMACEKPBSA-N 1 0 435.950 3.865 20 0 IHADRO CCOC(=O)c1cc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2s1 ZINC001164955230 722019939 /nfs/dbraw/zinc/01/99/39/722019939.db2.gz AYWKUACNGIIJQM-UHFFFAOYSA-N 1 0 437.569 3.756 20 0 IHADRO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)C3)n1 ZINC001164959843 722027347 /nfs/dbraw/zinc/02/73/47/722027347.db2.gz IYTDQPTZBGDZMJ-AOYPEHQESA-N 1 0 436.600 3.972 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)nc1 ZINC001164956135 722035249 /nfs/dbraw/zinc/03/52/49/722035249.db2.gz CCZNAGQRSAARLJ-PLXFJCCSSA-N 1 0 433.600 3.946 20 0 IHADRO CSc1nc2c(c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n1)CCCC2 ZINC001164962536 722055041 /nfs/dbraw/zinc/05/50/41/722055041.db2.gz FHRBMVASRVJWNF-UHFFFAOYSA-N 1 0 439.629 3.591 20 0 IHADRO Fc1ccc2c(Cl)nnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164963464 722061208 /nfs/dbraw/zinc/06/12/08/722061208.db2.gz YYQUKQMWVCZLQA-UHFFFAOYSA-N 1 0 441.938 3.936 20 0 IHADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965809 722069010 /nfs/dbraw/zinc/06/90/10/722069010.db2.gz OECSOBHJCNZLPI-OYRHEFFESA-N 1 0 446.551 3.517 20 0 IHADRO Fc1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977176 722104425 /nfs/dbraw/zinc/10/44/25/722104425.db2.gz DVRMVTTUIDYYNC-WBVHZDCISA-N 1 0 426.870 3.541 20 0 IHADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982710 722118420 /nfs/dbraw/zinc/11/84/20/722118420.db2.gz XTXKIHDWTCDHAA-QFBILLFUSA-N 1 0 447.917 3.884 20 0 IHADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982706 722118543 /nfs/dbraw/zinc/11/85/43/722118543.db2.gz XTXKIHDWTCDHAA-APWZRJJASA-N 1 0 447.917 3.884 20 0 IHADRO c1ccc(COc2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164981139 722133105 /nfs/dbraw/zinc/13/31/05/722133105.db2.gz OQPFGBGGIYWFSD-DNQXCXABSA-N 1 0 430.552 3.783 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973904 722154164 /nfs/dbraw/zinc/15/41/64/722154164.db2.gz NMGDSDWGXHNNLX-YKSBVNFPSA-N 1 0 433.531 3.713 20 0 IHADRO Clc1nc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C2CC2)n1 ZINC001164972610 722156094 /nfs/dbraw/zinc/15/60/94/722156094.db2.gz IRLRMWHXCWYFCS-DLBZAZTESA-N 1 0 434.371 3.783 20 0 IHADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)c1 ZINC001164979725 722165231 /nfs/dbraw/zinc/16/52/31/722165231.db2.gz VVDAWLUSTSJOCK-RCZVLFRGSA-N 1 0 429.605 3.891 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)cc1Cl)CCC2 ZINC001165000236 722251089 /nfs/dbraw/zinc/25/10/89/722251089.db2.gz MMNBXIPQOGNVHH-UHFFFAOYSA-N 1 0 434.318 3.618 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3c(Cl)cccc3nc1Cl)CCC2 ZINC001165004882 722257662 /nfs/dbraw/zinc/25/76/62/722257662.db2.gz WHLNSHZYZBIYRV-UHFFFAOYSA-N 1 0 435.359 3.622 20 0 IHADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(F)(F)F ZINC000604766076 1126099742 /nfs/dbraw/zinc/09/97/42/1126099742.db2.gz OMAZKUZYZLJTFO-CRAIPNDOSA-N 1 0 446.263 3.844 20 0 IHADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001176586658 1126149385 /nfs/dbraw/zinc/14/93/85/1126149385.db2.gz DTYAOLVIRZYXDP-QFIPXVFZSA-N 1 0 433.390 3.918 20 0 IHADRO CCOc1c(Br)cc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)cc1OC ZINC001179277872 1126151845 /nfs/dbraw/zinc/15/18/45/1126151845.db2.gz OXGMDNXZJKYZNW-OAQYLSRUSA-N 1 0 438.362 3.948 20 0 IHADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC001205425938 1126159439 /nfs/dbraw/zinc/15/94/39/1126159439.db2.gz HQDXLPRVHUNIAB-OAQYLSRUSA-N 1 0 428.573 3.839 20 0 IHADRO Cc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cnc1Br ZINC001307927302 1126162021 /nfs/dbraw/zinc/16/20/21/1126162021.db2.gz AEPBDHSJFRBWSZ-SFHVURJKSA-N 1 0 440.179 3.925 20 0 IHADRO O=c1[nH]c2cc(F)ccc2cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001308463846 1126166004 /nfs/dbraw/zinc/16/60/04/1126166004.db2.gz HGNMZOVGYXQZDR-NRFANRHFSA-N 1 0 431.305 3.852 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001308479824 1126166800 /nfs/dbraw/zinc/16/68/00/1126166800.db2.gz NLZIAIQYSLELKO-JOCHJYFZSA-N 1 0 431.374 3.768 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001473838624 1126199425 /nfs/dbraw/zinc/19/94/25/1126199425.db2.gz JBOMCPPNHYPROD-VWLOTQADSA-N 1 0 439.577 3.920 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc(-c3ccc(O)c(OC)c3)n2)cc1OC ZINC001473840078 1126200357 /nfs/dbraw/zinc/20/03/57/1126200357.db2.gz PSRNGOXWFIDRMG-HSZRJFAPSA-N 1 0 444.553 3.625 20 0 IHADRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)o2)CC1 ZINC001621022542 1126244567 /nfs/dbraw/zinc/24/45/67/1126244567.db2.gz AOPGGAVINIZZNI-DEOSSOPVSA-N 1 0 447.551 3.559 20 0 IHADRO COc1ccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)cs2)cc1 ZINC001621057589 1126245542 /nfs/dbraw/zinc/24/55/42/1126245542.db2.gz KTLLROZTOWMVER-QHCPKHFHSA-N 1 0 428.554 3.919 20 0 IHADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cccc(I)c1)C(F)(F)F ZINC001620789952 1126242903 /nfs/dbraw/zinc/24/29/03/1126242903.db2.gz PBRDIIDYCYJUHJ-HOTGVXAUSA-N 1 0 435.227 3.915 20 0 IHADRO COC(=O)c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)cnc1Cl ZINC001164387526 718814342 /nfs/dbraw/zinc/81/43/42/718814342.db2.gz HLDBZKUMZCUSMD-AWEZNQCLSA-N 1 0 427.801 3.577 20 0 IHADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164389143 718826523 /nfs/dbraw/zinc/82/65/23/718826523.db2.gz GVUFBUZYEQNDMZ-GOEBONIOSA-N 1 0 448.823 3.928 20 0 IHADRO Cc1sc2nc(-c3ccccn3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1-c1ccccc1 ZINC001164403992 718839885 /nfs/dbraw/zinc/83/98/85/718839885.db2.gz KVVQZJSHMMCWOD-IBGZPJMESA-N 1 0 442.592 3.823 20 0 IHADRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164431047 718955083 /nfs/dbraw/zinc/95/50/83/718955083.db2.gz ZTBOADZQLXBNKP-XMMPIXPASA-N 1 0 448.611 3.677 20 0 IHADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164619334 719048911 /nfs/dbraw/zinc/04/89/11/719048911.db2.gz CRFCVXXPJNAOIV-JXFKEZNVSA-N 1 0 436.890 3.955 20 0 IHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H](CF)[C@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164620591 719122525 /nfs/dbraw/zinc/12/25/25/719122525.db2.gz IROOXPTZIGDSLQ-JFIYKMOQSA-N 1 0 443.636 3.925 20 0 IHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001164619502 719124885 /nfs/dbraw/zinc/12/48/85/719124885.db2.gz DSMKBYQUDAXDHW-FUHWJXTLSA-N 1 0 425.577 3.933 20 0 IHADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)c1 ZINC001164622409 719125130 /nfs/dbraw/zinc/12/51/30/719125130.db2.gz OSMSYFYQWIYRPZ-XJKSGUPXSA-N 1 0 426.870 3.864 20 0 IHADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N(C)C)[nH+]c(C)n1)CC2 ZINC001164663411 719346155 /nfs/dbraw/zinc/34/61/55/719346155.db2.gz GEPSWCNTVCLQSO-UHFFFAOYSA-N 1 0 431.588 3.546 20 0 IHADRO Cc1ccc(Oc2nc(Cl)ncc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164680207 719649465 /nfs/dbraw/zinc/64/94/65/719649465.db2.gz DGGALSHDGQXVCW-UHFFFAOYSA-N 1 0 426.952 3.902 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4ccoc43)CC2)c2ccccc21 ZINC001164680644 719659715 /nfs/dbraw/zinc/65/97/15/719659715.db2.gz GSHXEPDBQIHTRP-HXUWFJFHSA-N 1 0 432.568 3.921 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4scnc43)CC2)c2ccccc21 ZINC001164685727 719671465 /nfs/dbraw/zinc/67/14/65/719671465.db2.gz VUHBAOCHXIUIFY-SFHVURJKSA-N 1 0 449.624 3.785 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164691063 719757698 /nfs/dbraw/zinc/75/76/98/719757698.db2.gz KQXDYPHZIOMZSF-UHFFFAOYSA-N 1 0 440.966 3.730 20 0 IHADRO COc1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2cc1OC ZINC001164695721 719888288 /nfs/dbraw/zinc/88/82/88/719888288.db2.gz SNCDHHKKPOMMBW-UHFFFAOYSA-N 1 0 440.569 3.580 20 0 IHADRO CC(C)(C)NC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164697504 719893097 /nfs/dbraw/zinc/89/30/97/719893097.db2.gz KFXXVOVOSFKNJA-UHFFFAOYSA-N 1 0 428.602 3.543 20 0 IHADRO CC1CCN(c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)CC1 ZINC001164705336 719898591 /nfs/dbraw/zinc/89/85/91/719898591.db2.gz ACFBFGOXVYKFPM-UHFFFAOYSA-N 1 0 427.618 3.646 20 0 IHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ncn5-c4ccccc4)CC3)C2)c1 ZINC001164706949 719904764 /nfs/dbraw/zinc/90/47/64/719904764.db2.gz MBFKMXRDDRODDC-UHFFFAOYSA-N 1 0 446.580 3.748 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 ZINC001164801760 720051654 /nfs/dbraw/zinc/05/16/54/720051654.db2.gz GOVVNLCPZDGFQD-JBRSBNLGSA-N 1 0 439.604 3.670 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(NCC3CC3)n1)CC2 ZINC001164709758 720092665 /nfs/dbraw/zinc/09/26/65/720092665.db2.gz CZHRMKUUEKMMLR-JOCHJYFZSA-N 1 0 436.604 3.509 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164711004 720094125 /nfs/dbraw/zinc/09/41/25/720094125.db2.gz MSYMRQMFPSWJNK-MRXNPFEDSA-N 1 0 444.942 3.653 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164709634 720104919 /nfs/dbraw/zinc/10/49/19/720104919.db2.gz BQBUNKBXURLCRY-LJQANCHMSA-N 1 0 442.007 3.911 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164718613 720107304 /nfs/dbraw/zinc/10/73/04/720107304.db2.gz TWJUNUXSWYPRDP-RXVVDRJESA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164718568 720118255 /nfs/dbraw/zinc/11/82/55/720118255.db2.gz SLQAGRJHVJVGRS-GHTZIAJQSA-N 1 0 434.943 3.765 20 0 IHADRO CCOCc1cnc(Cl)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164713615 720133883 /nfs/dbraw/zinc/13/38/83/720133883.db2.gz SZIBIBZOYXHRHA-FQEVSTJZSA-N 1 0 445.995 3.569 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164817115 720149520 /nfs/dbraw/zinc/14/95/20/720149520.db2.gz OAKSETJFAMRIRG-RDPSFJRHSA-N 1 0 426.992 3.906 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164816371 720190581 /nfs/dbraw/zinc/19/05/81/720190581.db2.gz LDGPTVXSGGBWLV-NTKDMRAZSA-N 1 0 435.597 3.938 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164810890 720199329 /nfs/dbraw/zinc/19/93/29/720199329.db2.gz FJNUUHNRVSJTDN-KDOFPFPSSA-N 1 0 436.330 3.998 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC001164820499 720299705 /nfs/dbraw/zinc/29/97/05/720299705.db2.gz HGXWAQCSBWVWMV-VXKWHMMOSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3ccnc(Cl)c3)ccn2)CC1 ZINC001164824476 720305312 /nfs/dbraw/zinc/30/53/12/720305312.db2.gz QUVDANYQNBOZFE-SFTDATJTSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc3ccc(F)cc32)CC1 ZINC001164821643 720306845 /nfs/dbraw/zinc/30/68/45/720306845.db2.gz LSHNFXZTRDZGBS-VQTJNVASSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc3ccc(F)cc32)CC1 ZINC001164821642 720307214 /nfs/dbraw/zinc/30/72/14/720307214.db2.gz LSHNFXZTRDZGBS-UXHICEINSA-N 1 0 430.955 3.939 20 0 IHADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818631 720309249 /nfs/dbraw/zinc/30/92/49/720309249.db2.gz AVRXUTUKHOFAIO-RTBURBONSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(F)cc3ccc(Cl)nc32)CC1 ZINC001164828986 720319174 /nfs/dbraw/zinc/31/91/74/720319174.db2.gz LDLMKBRMHOAISG-MOPGFXCFSA-N 1 0 430.955 3.939 20 0 IHADRO COc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2cc(Cl)ccc12 ZINC001164829789 720319259 /nfs/dbraw/zinc/31/92/59/720319259.db2.gz NTJJKUHJMQZHAU-SFTDATJTSA-N 1 0 442.991 3.808 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nnc2-c2ccccc2)CC1 ZINC001164823832 720319417 /nfs/dbraw/zinc/31/94/17/720319417.db2.gz BJMXQGGMSDLRJB-WOJBJXKFSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2OCc2ccccc2)CC1 ZINC001164824185 720337315 /nfs/dbraw/zinc/33/73/15/720337315.db2.gz HFGXBZLDWWSFLK-XZOQPEGZSA-N 1 0 434.584 3.572 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3cccc(Cl)c3)ncn2)CC1 ZINC001164826656 720342373 /nfs/dbraw/zinc/34/23/73/720342373.db2.gz KQHIHQFRUWARPX-FGZHOGPDSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(Cl)nc2-c2ccccc2)CC1 ZINC001164822804 720344186 /nfs/dbraw/zinc/34/41/86/720344186.db2.gz FMYOPDFDYVNDIB-UXHICEINSA-N 1 0 439.991 3.709 20 0 IHADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164726738 720351563 /nfs/dbraw/zinc/35/15/63/720351563.db2.gz ROMIAEWIPGOWMF-YADHBBJMSA-N 1 0 447.970 3.913 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824220 720351978 /nfs/dbraw/zinc/35/19/78/720351978.db2.gz HPXGJBGADAVKLK-DHIUTWEWSA-N 1 0 437.563 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc3cccc(F)c32)CC1 ZINC001164829220 720355713 /nfs/dbraw/zinc/35/57/13/720355713.db2.gz QYLPFFUPAOCZQF-MOPGFXCFSA-N 1 0 430.955 3.939 20 0 IHADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2n1 ZINC001164725228 720356549 /nfs/dbraw/zinc/35/65/49/720356549.db2.gz MSHGLBFQCUYKJQ-NWDGAFQWSA-N 1 0 436.734 3.628 20 0 IHADRO COc1cc2nc(Cl)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1OC ZINC001164725052 720388950 /nfs/dbraw/zinc/38/89/50/720388950.db2.gz LKYMHFGNOZPHSW-ROUUACIJSA-N 1 0 425.920 3.549 20 0 IHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164722583 720407757 /nfs/dbraw/zinc/40/77/57/720407757.db2.gz DNRVXJAHPQTPLW-ZWKOTPCHSA-N 1 0 426.883 3.705 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)nc1 ZINC001164824928 720423971 /nfs/dbraw/zinc/42/39/71/720423971.db2.gz MSSVAMFMZHFPCM-BXXSPATCSA-N 1 0 428.621 3.632 20 0 IHADRO C[N@H+](Cc1ccc(N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730185 720494927 /nfs/dbraw/zinc/49/49/27/720494927.db2.gz SSORTUNUFNGNSY-CJFMBICVSA-N 1 0 440.563 3.539 20 0 IHADRO Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164726368 720495040 /nfs/dbraw/zinc/49/50/40/720495040.db2.gz LMPNLYGSCYVYFY-BWKNWUBXSA-N 1 0 440.563 3.541 20 0 IHADRO Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2ncccc2C[NH+]2CCCC2)C3)c1 ZINC001164724777 720496972 /nfs/dbraw/zinc/49/69/72/720496972.db2.gz HFDFVMLBHMWZKH-NLFFAJNJSA-N 1 0 440.563 3.541 20 0 IHADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164835339 720506700 /nfs/dbraw/zinc/50/67/00/720506700.db2.gz KEBUWHWIYNNZHZ-CBGDNZLLSA-N 1 0 440.979 3.866 20 0 IHADRO COCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccccc2)n1 ZINC001164833345 720513079 /nfs/dbraw/zinc/51/30/79/720513079.db2.gz DFMPRHNZWHJRFR-YFNKSVMNSA-N 1 0 446.599 3.864 20 0 IHADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834680 720527710 /nfs/dbraw/zinc/52/77/10/720527710.db2.gz HATSHBBLUQIBDH-IPMKNSEASA-N 1 0 445.995 3.794 20 0 IHADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164733159 720547177 /nfs/dbraw/zinc/54/71/77/720547177.db2.gz BNBRLICNNCPRFY-AWEZNQCLSA-N 1 0 446.926 3.888 20 0 IHADRO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2n1 ZINC001164840641 720552735 /nfs/dbraw/zinc/55/27/35/720552735.db2.gz SJYNFRFGIMXHFI-JENIJYKNSA-N 1 0 440.979 3.866 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(Oc4cccc(F)c4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839170 720574533 /nfs/dbraw/zinc/57/45/33/720574533.db2.gz PRQRGEQXDSFYNL-RCZSKKKRSA-N 1 0 436.535 3.982 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(F)cc4ncnc(Cl)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841201 720586081 /nfs/dbraw/zinc/58/60/81/720586081.db2.gz RRSWUSIZQMBIOX-HHXXYDBFSA-N 1 0 428.943 3.997 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736358 720586966 /nfs/dbraw/zinc/58/69/66/720586966.db2.gz KJJQOWNCXBPEQL-UHFFFAOYSA-N 1 0 426.927 3.791 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)CC[C@@H]21 ZINC001164840171 720595178 /nfs/dbraw/zinc/59/51/78/720595178.db2.gz PEJRAQNTRAFHCF-DPLHUUCSSA-N 1 0 445.615 3.804 20 0 IHADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841483 720613464 /nfs/dbraw/zinc/61/34/64/720613464.db2.gz SHHPQAFJQYHDDO-SXWKCWPCSA-N 1 0 433.556 3.596 20 0 IHADRO COc1ccccc1-c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164844136 720614234 /nfs/dbraw/zinc/61/42/34/720614234.db2.gz YZNCWWSDPDOREO-MIZPHKNDSA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@@H]21 ZINC001164840612 720618363 /nfs/dbraw/zinc/61/83/63/720618363.db2.gz PXRJMIXJGSNZHU-VCOUNFBDSA-N 1 0 436.535 3.982 20 0 IHADRO CC(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2)n1 ZINC001164835996 720625415 /nfs/dbraw/zinc/62/54/15/720625415.db2.gz DTPJMCHGQPWGJI-PCCBWWKXSA-N 1 0 435.576 3.829 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cl)c4ccc(F)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844145 720628293 /nfs/dbraw/zinc/62/82/93/720628293.db2.gz ZBKBCMJWZSEHRC-OXFYSEKESA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(F)c(-c4ccsc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840803 720641058 /nfs/dbraw/zinc/64/10/58/720641058.db2.gz QUEMCZUFRGQPMV-CMKODMSKSA-N 1 0 426.565 3.919 20 0 IHADRO CCCSc1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1OC ZINC001164837516 720646020 /nfs/dbraw/zinc/64/60/20/720646020.db2.gz BYLSJXWAYMQNBG-IPMKNSEASA-N 1 0 430.622 3.562 20 0 IHADRO COC(=O)c1ccc(Cl)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841861 720657528 /nfs/dbraw/zinc/65/75/28/720657528.db2.gz QPXIDLUEOFRZRG-SFHVURJKSA-N 1 0 429.948 3.782 20 0 IHADRO COc1cc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c(OC)c1 ZINC001164844804 720695305 /nfs/dbraw/zinc/69/53/05/720695305.db2.gz UXIDWNKJRLREJD-HXUWFJFHSA-N 1 0 448.567 3.907 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164839009 720714520 /nfs/dbraw/zinc/71/45/20/720714520.db2.gz KGJZABJKPZDNGL-XMMPIXPASA-N 1 0 444.579 3.552 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164839007 720714894 /nfs/dbraw/zinc/71/48/94/720714894.db2.gz KGJZABJKPZDNGL-DEOSSOPVSA-N 1 0 444.579 3.552 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164837706 720716114 /nfs/dbraw/zinc/71/61/14/720716114.db2.gz GZEIGZSSVSNNKW-OAQYLSRUSA-N 1 0 430.552 3.594 20 0 IHADRO FC(F)(c1cccnc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842026 720741742 /nfs/dbraw/zinc/74/17/42/720741742.db2.gz BWAFDKVZRVRUCZ-UHFFFAOYSA-N 1 0 430.890 3.637 20 0 IHADRO Cc1sc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164738244 720763929 /nfs/dbraw/zinc/76/39/29/720763929.db2.gz FHAUYVNDGFOVBP-OALUTQOASA-N 1 0 444.564 3.799 20 0 IHADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)s1 ZINC001164745415 720775137 /nfs/dbraw/zinc/77/51/37/720775137.db2.gz VRUPFWWDWBOYSG-QZTJIDSGSA-N 1 0 444.564 3.799 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746750 720829361 /nfs/dbraw/zinc/82/93/61/720829361.db2.gz YVFVSJBUGJYVPZ-BBTUJRGHSA-N 1 0 437.979 3.563 20 0 IHADRO FC(F)c1nc2ccccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751094 720850785 /nfs/dbraw/zinc/85/07/85/720850785.db2.gz YMGSDLDLMQUYJZ-FUHIMQAGSA-N 1 0 439.514 3.538 20 0 IHADRO Clc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(-c2ccccc2)n1 ZINC001164751196 720851762 /nfs/dbraw/zinc/85/17/62/720851762.db2.gz QQTKMVOCTZZVMN-PCCBWWKXSA-N 1 0 449.990 3.768 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164747597 720851975 /nfs/dbraw/zinc/85/19/75/720851975.db2.gz IDFBQVWXWZGIFJ-VDKIKQQVSA-N 1 0 443.599 3.677 20 0 IHADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749066 720867348 /nfs/dbraw/zinc/86/73/48/720867348.db2.gz GRACWHPBOKLLLQ-BKMJKUGQSA-N 1 0 448.615 3.509 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@@H]2C1 ZINC001164854815 720867601 /nfs/dbraw/zinc/86/76/01/720867601.db2.gz KVRNAUCXYJAFPB-DNVCBOLYSA-N 1 0 425.907 3.607 20 0 IHADRO Cc1nc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750147 720867603 /nfs/dbraw/zinc/86/76/03/720867603.db2.gz JBACNQIARMTGKU-NFBKMPQASA-N 1 0 427.980 3.589 20 0 IHADRO Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747287 720870591 /nfs/dbraw/zinc/87/05/91/720870591.db2.gz BAMDWMCEINBWJW-REWPJTCUSA-N 1 0 427.980 3.589 20 0 IHADRO c1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc2c1 ZINC001164755304 720873177 /nfs/dbraw/zinc/87/31/77/720873177.db2.gz WJUPZKUZQTWVNZ-ATIYNZHBSA-N 1 0 429.568 3.780 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(F)cc4)c4ccccc43)CC[C@@H]2C1 ZINC001164854365 720876651 /nfs/dbraw/zinc/87/66/51/720876651.db2.gz DYXJBDSDKROYTL-XXBNENTESA-N 1 0 436.531 3.609 20 0 IHADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164750783 720879430 /nfs/dbraw/zinc/87/94/30/720879430.db2.gz JTDZRJQPYQYPOA-REWPJTCUSA-N 1 0 427.980 3.589 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(C)s4)nc4ccccc43)CC[C@H]2C1 ZINC001164865270 720880124 /nfs/dbraw/zinc/88/01/24/720880124.db2.gz ZLXDMBBMPCNJFK-GHTZIAJQSA-N 1 0 438.597 3.840 20 0 IHADRO c1ccc2c(c1)cnnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753287 720880828 /nfs/dbraw/zinc/88/08/28/720880828.db2.gz OPZWOZYCQSFVIN-OZXSUGGESA-N 1 0 429.568 3.780 20 0 IHADRO c1ccc2c(c1)cnnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753279 720880937 /nfs/dbraw/zinc/88/09/37/720880937.db2.gz OPZWOZYCQSFVIN-BVAGGSTKSA-N 1 0 429.568 3.780 20 0 IHADRO c1coc(-c2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cn2)c1 ZINC001164750484 720885696 /nfs/dbraw/zinc/88/56/96/720885696.db2.gz BHNMLLQBYHDRTE-NVQXNPDNSA-N 1 0 445.567 3.887 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccc4cnccc42)C3)c1 ZINC001164758091 720897293 /nfs/dbraw/zinc/89/72/93/720897293.db2.gz WODBDASAOKMIDM-JYFHCDHNSA-N 1 0 429.568 3.780 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cnc4c(n2)CCCC4)C3)c1 ZINC001164754692 720928387 /nfs/dbraw/zinc/92/83/87/720928387.db2.gz XJEVLDSKJDGQRU-NVQXNPDNSA-N 1 0 433.600 3.506 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(Cl)n1 ZINC001164863228 720955939 /nfs/dbraw/zinc/95/59/39/720955939.db2.gz YXLYNNXTZAONNA-ZDUSSCGKSA-N 1 0 441.910 3.684 20 0 IHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856427 721001158 /nfs/dbraw/zinc/00/11/58/721001158.db2.gz CJHUPHGWPLEOLW-ZDUSSCGKSA-N 1 0 441.910 3.684 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)[C@@H]2C ZINC001164864812 721010158 /nfs/dbraw/zinc/01/01/58/721010158.db2.gz ZTQJJSNXHJWYHE-GOSISDBHSA-N 1 0 448.571 3.923 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)C[C@@H]3C2)cn1 ZINC001164762998 721095154 /nfs/dbraw/zinc/09/51/54/721095154.db2.gz FVHXYSFSTYEWLQ-KBPBESRZSA-N 1 0 438.935 3.581 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867262 721104344 /nfs/dbraw/zinc/10/43/44/721104344.db2.gz XOEVOSDDPZSUMR-MSOLQXFVSA-N 1 0 444.963 3.565 20 0 IHADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865636 721107696 /nfs/dbraw/zinc/10/76/96/721107696.db2.gz NSZQITCZTLGEHD-RBUKOAKNSA-N 1 0 445.901 3.703 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164773245 721110362 /nfs/dbraw/zinc/11/03/62/721110362.db2.gz XKBMJHAHQNAHBD-JKSUJKDBSA-N 1 0 432.906 3.520 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880320 721133246 /nfs/dbraw/zinc/13/32/46/721133246.db2.gz VWBZLYHESDFLIN-QZTJIDSGSA-N 1 0 426.952 3.540 20 0 IHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164874487 721133277 /nfs/dbraw/zinc/13/32/77/721133277.db2.gz KCLLFFYYAXEYAG-HOTGVXAUSA-N 1 0 440.947 3.877 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164774012 721158651 /nfs/dbraw/zinc/15/86/51/721158651.db2.gz ZSDOAFGQAYPSEH-IRXDYDNUSA-N 1 0 432.906 3.520 20 0 IHADRO c1cc2c(nc(-c3ccccn3)nc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164880450 721173049 /nfs/dbraw/zinc/17/30/49/721173049.db2.gz WSOJUFRVSNBWMN-MOPGFXCFSA-N 1 0 444.564 3.628 20 0 IHADRO Fc1ccc2nc(C(F)F)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164875453 721175005 /nfs/dbraw/zinc/17/50/05/721175005.db2.gz LPXPISYQCWBJSQ-IRXDYDNUSA-N 1 0 429.446 3.581 20 0 IHADRO CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164770862 721186313 /nfs/dbraw/zinc/18/63/13/721186313.db2.gz OYVVKKFGVRWNEZ-GJZGRUSLSA-N 1 0 427.952 3.694 20 0 IHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869278 721187017 /nfs/dbraw/zinc/18/70/17/721187017.db2.gz PWKSGWYWBLCQHT-ZBFHGGJFSA-N 1 0 445.297 3.688 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164771912 721205434 /nfs/dbraw/zinc/20/54/34/721205434.db2.gz RYWVKOOREMRBMZ-IRXDYDNUSA-N 1 0 442.926 3.753 20 0 IHADRO C[N@H+](Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872030 721258485 /nfs/dbraw/zinc/25/84/85/721258485.db2.gz CPMSCUXPXPVGGL-JYFHCDHNSA-N 1 0 434.584 3.624 20 0 IHADRO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164780061 721343897 /nfs/dbraw/zinc/34/38/97/721343897.db2.gz ZFZNTEUWSMWPRR-QFIPXVFZSA-N 1 0 444.967 3.644 20 0 IHADRO COc1cccc2c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)cc(Cl)nc12 ZINC001164894088 721381048 /nfs/dbraw/zinc/38/10/48/721381048.db2.gz XMEZEPAIFKJQHQ-MHECFPHRSA-N 1 0 445.007 3.662 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164892157 721384880 /nfs/dbraw/zinc/38/48/80/721384880.db2.gz RXWKOSYCRDBLCS-APWZRJJASA-N 1 0 449.373 3.699 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883667 721419070 /nfs/dbraw/zinc/41/90/70/721419070.db2.gz BSINWECGXPBPIL-DVECYGJZSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2c(Cl)cccc12 ZINC001164889511 721426203 /nfs/dbraw/zinc/42/62/03/721426203.db2.gz BFCNAVCCTIGGMS-NTKDMRAZSA-N 1 0 429.008 3.962 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)nc4-c4ccccc4)C3)O2)CC1 ZINC001164895430 721440693 /nfs/dbraw/zinc/44/06/93/721440693.db2.gz PADNOPHSWQWJFT-RDPSFJRHSA-N 1 0 442.007 3.562 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3sc(C)cc31)CC2 ZINC001164788646 721448260 /nfs/dbraw/zinc/44/82/60/721448260.db2.gz RYEICIDKLOLSHL-LJQANCHMSA-N 1 0 430.618 3.734 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)Sc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164886542 721451017 /nfs/dbraw/zinc/45/10/17/721451017.db2.gz HCIUANZLYSQYKS-QFBILLFUSA-N 1 0 446.995 3.638 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1Cl)CC2 ZINC001164790579 721451619 /nfs/dbraw/zinc/45/16/19/721451619.db2.gz ZUBQNKNPFUNQFC-INIZCTEOSA-N 1 0 429.392 3.517 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164783454 721452832 /nfs/dbraw/zinc/45/28/32/721452832.db2.gz BTICHIBPHZJZDO-LJQANCHMSA-N 1 0 435.012 3.741 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164785964 721453540 /nfs/dbraw/zinc/45/35/40/721453540.db2.gz KKPGOIDIKSMREE-KRWDZBQOSA-N 1 0 441.041 3.586 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164786890 721458301 /nfs/dbraw/zinc/45/83/01/721458301.db2.gz QGPCOSJELDPAQF-INIZCTEOSA-N 1 0 429.392 3.517 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164786745 721459998 /nfs/dbraw/zinc/45/99/98/721459998.db2.gz PHGBOUKXRKAIQQ-GHTZIAJQSA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cc(F)ccc3n1)CC2 ZINC001164785455 721463735 /nfs/dbraw/zinc/46/37/35/721463735.db2.gz LLZJOWKJKCJHDS-NRFANRHFSA-N 1 0 428.552 3.503 20 0 IHADRO CCc1nc2sccc2c(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789511 721470138 /nfs/dbraw/zinc/47/01/38/721470138.db2.gz NGGJJOMCCKBBCP-IBGZPJMESA-N 1 0 444.645 3.988 20 0 IHADRO COC(=O)c1ccc2nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)ncc2c1 ZINC001164793171 721491502 /nfs/dbraw/zinc/49/15/02/721491502.db2.gz OTEDOLPCNGXVFN-UHFFFAOYSA-N 1 0 431.540 3.692 20 0 IHADRO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792530 721497277 /nfs/dbraw/zinc/49/72/77/721497277.db2.gz QGAHUNRCULSQTB-UHFFFAOYSA-N 1 0 443.599 3.881 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164796756 721500920 /nfs/dbraw/zinc/50/09/20/721500920.db2.gz WWLUJMDTXCBGCV-UHFFFAOYSA-N 1 0 437.922 3.873 20 0 IHADRO O=C(NC1CCCCC1)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900097 721515202 /nfs/dbraw/zinc/51/52/02/721515202.db2.gz OAOPAOQQPUSGSF-IFMALSPDSA-N 1 0 438.547 3.625 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908627 721535698 /nfs/dbraw/zinc/53/56/98/721535698.db2.gz PWAZMXWUTDJTCH-NVXWUHKLSA-N 1 0 428.895 3.773 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC[N@@H+]3C2)c1 ZINC001164911516 721542666 /nfs/dbraw/zinc/54/26/66/721542666.db2.gz XCCXSEAAWNQSPJ-ZBFHGGJFSA-N 1 0 449.864 3.704 20 0 IHADRO CN(C)c1ccc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905823 721548018 /nfs/dbraw/zinc/54/80/18/721548018.db2.gz IPJQQQMTVUBOOV-GMAHTHKFSA-N 1 0 433.531 3.691 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCCC3)[C@H]2CCCO[C@H]12 ZINC001164805066 721550757 /nfs/dbraw/zinc/55/07/57/721550757.db2.gz KSHQBOVFGKYIKP-HBMCJLEFSA-N 1 0 427.980 3.662 20 0 IHADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908217 721551067 /nfs/dbraw/zinc/55/10/67/721551067.db2.gz PZUQXICYCMKRMU-AZUAARDMSA-N 1 0 428.508 3.910 20 0 IHADRO CSc1nc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905101 721584188 /nfs/dbraw/zinc/58/41/88/721584188.db2.gz SDECJIJKCUTZLK-SFHVURJKSA-N 1 0 425.936 3.985 20 0 IHADRO COc1ccc2cnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164903649 721697300 /nfs/dbraw/zinc/69/73/00/721697300.db2.gz BDMOBKATEQFUOQ-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO FC1(F)CCN(c2nc3ncccc3nc2Cl)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908069 721702980 /nfs/dbraw/zinc/70/29/80/721702980.db2.gz UYZCUZVKVXHVGL-HXUWFJFHSA-N 1 0 430.890 3.811 20 0 IHADRO FC1(F)CCN(c2cc(N3CCCCC3)ncn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908951 721723744 /nfs/dbraw/zinc/72/37/44/721723744.db2.gz ZWHIITGCPGCJEO-JOCHJYFZSA-N 1 0 428.531 3.600 20 0 IHADRO COC(=O)c1ccc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2c1 ZINC001165028046 721803992 /nfs/dbraw/zinc/80/39/92/721803992.db2.gz XZNZOBVHNHNFNB-IEIRFRATSA-N 1 0 431.540 3.548 20 0 IHADRO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026035 721814046 /nfs/dbraw/zinc/81/40/46/721814046.db2.gz OVYXBJCFBPJFJJ-VDGAXYAQSA-N 1 0 443.979 3.500 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@H]21 ZINC001165022363 721824287 /nfs/dbraw/zinc/82/42/87/721824287.db2.gz HABJEYDOTDAXJD-NUEKZKHPSA-N 1 0 447.921 3.635 20 0 IHADRO COC(=O)c1ccc(Cl)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165017316 721837728 /nfs/dbraw/zinc/83/77/28/721837728.db2.gz KEXCEGDRJMZYIC-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164921053 721866539 /nfs/dbraw/zinc/86/65/39/721866539.db2.gz CDFCGYUFEYNYIN-HOTGVXAUSA-N 1 0 430.330 3.696 20 0 IHADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929200 721878027 /nfs/dbraw/zinc/87/80/27/721878027.db2.gz AMEQEHKKJYYVLV-UXHICEINSA-N 1 0 448.640 3.847 20 0 IHADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164934578 721884193 /nfs/dbraw/zinc/88/41/93/721884193.db2.gz SEFHKMZBIHHTOG-UXHICEINSA-N 1 0 437.613 3.719 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164933051 721890204 /nfs/dbraw/zinc/89/02/04/721890204.db2.gz JFJKAZFPBBNFQT-RTBURBONSA-N 1 0 439.913 3.696 20 0 IHADRO C[NH+](C)[C@H]1CCCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)C1 ZINC000301147453 721895582 /nfs/dbraw/zinc/89/55/82/721895582.db2.gz KJTBQYYGYKRRLL-IBGZPJMESA-N 1 0 437.613 3.721 20 0 IHADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165038070 721903944 /nfs/dbraw/zinc/90/39/44/721903944.db2.gz JIUYSUREYNMDEX-FQEVSTJZSA-N 1 0 434.540 3.518 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1 ZINC001164948226 721980619 /nfs/dbraw/zinc/98/06/19/721980619.db2.gz KDVPKPUIFIHFBQ-DEOSSOPVSA-N 1 0 447.627 3.600 20 0 IHADRO c1ccc(Oc2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164959503 722053756 /nfs/dbraw/zinc/05/37/56/722053756.db2.gz LIMRNKQKJXRYGM-UHFFFAOYSA-N 1 0 431.540 3.783 20 0 IHADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c21 ZINC001164965933 722062279 /nfs/dbraw/zinc/06/22/79/722062279.db2.gz MISCLCIHTNHZJV-UHFFFAOYSA-N 1 0 446.530 3.764 20 0 IHADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971376 722122574 /nfs/dbraw/zinc/12/25/74/722122574.db2.gz BQBRTTLUMMOFOF-OFNKIYASSA-N 1 0 432.572 3.669 20 0 IHADRO c1ccc(COc2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164981144 722133111 /nfs/dbraw/zinc/13/31/11/722133111.db2.gz OQPFGBGGIYWFSD-ZEQRLZLVSA-N 1 0 430.552 3.783 20 0 IHADRO CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164977069 722135953 /nfs/dbraw/zinc/13/59/53/722135953.db2.gz IKXZNUJXJPVJLF-RTWAWAEBSA-N 1 0 448.571 3.551 20 0 IHADRO c1ccc(COc2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164980356 722138815 /nfs/dbraw/zinc/13/88/15/722138815.db2.gz NEWMOPWEBAHPAD-ILBGXUMGSA-N 1 0 430.552 3.783 20 0 IHADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983375 722143127 /nfs/dbraw/zinc/14/31/27/722143127.db2.gz USSITKPTZMIKJB-XLIONFOSSA-N 1 0 449.933 3.675 20 0 IHADRO Fc1ccc(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164984204 722146482 /nfs/dbraw/zinc/14/64/82/722146482.db2.gz WJPACMMWSPHWGY-KNQAVFIVSA-N 1 0 435.503 3.530 20 0 IHADRO CCOc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984263 722147868 /nfs/dbraw/zinc/14/78/68/722147868.db2.gz XCCXMSMHIBQNFJ-DHLKQENFSA-N 1 0 445.567 3.665 20 0 IHADRO CCOc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984266 722148021 /nfs/dbraw/zinc/14/80/21/722148021.db2.gz XCCXMSMHIBQNFJ-WIOPSUGQSA-N 1 0 445.567 3.665 20 0 IHADRO Fc1ccc2c(Cl)nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981674 722150393 /nfs/dbraw/zinc/15/03/93/722150393.db2.gz PYVACZFUNMQJID-UZLBHIALSA-N 1 0 427.911 3.545 20 0 IHADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164994750 722213599 /nfs/dbraw/zinc/21/35/99/722213599.db2.gz DAFPOLADWHNSTL-CLOONOSVSA-N 1 0 438.547 3.529 20 0 IHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998510 722213646 /nfs/dbraw/zinc/21/36/46/722213646.db2.gz WHCBRLLSXUCHBA-QRQCRPRQSA-N 1 0 432.927 3.791 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001179519798 1126152402 /nfs/dbraw/zinc/15/24/02/1126152402.db2.gz BGVMBSSAZMNCMP-QHCPKHFHSA-N 1 0 447.601 3.528 20 0 IHADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)o1 ZINC001183684689 1126153314 /nfs/dbraw/zinc/15/33/14/1126153314.db2.gz GMWZPFCWHCLXFD-RUZDIDTESA-N 1 0 439.508 3.834 20 0 IHADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001202009513 1126156711 /nfs/dbraw/zinc/15/67/11/1126156711.db2.gz IFMBEWZEBYSZGB-LEWJYISDSA-N 1 0 428.573 3.839 20 0 IHADRO COc1cccc(-c2csc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)n2)c1 ZINC001203579062 1126158766 /nfs/dbraw/zinc/15/87/66/1126158766.db2.gz CXCQKYSQOUNWGE-HSZRJFAPSA-N 1 0 428.554 3.919 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Br)cnc2Cl)cc1OC ZINC001203580044 1126158837 /nfs/dbraw/zinc/15/88/37/1126158837.db2.gz GJKGKSIGLNNUFD-SFHVURJKSA-N 1 0 429.742 3.598 20 0 IHADRO CCOc1c(Br)cc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)cc1OC ZINC001203581396 1126159031 /nfs/dbraw/zinc/15/90/31/1126159031.db2.gz MHXPDCJWXVWLJW-NRFANRHFSA-N 1 0 438.362 3.948 20 0 IHADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(I)cc1)C(F)(F)F ZINC001308040391 1126162961 /nfs/dbraw/zinc/16/29/61/1126162961.db2.gz VBNFEFGZRZWQIR-HOTGVXAUSA-N 1 0 435.227 3.915 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001460871264 1126193179 /nfs/dbraw/zinc/19/31/79/1126193179.db2.gz RRDOCZIIHJPQTQ-NRFANRHFSA-N 1 0 428.330 3.695 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc3c(cc2Br)OCCCO3)cc1 ZINC001473839266 1126199676 /nfs/dbraw/zinc/19/96/76/1126199676.db2.gz WILVZBSPMWENRD-NRFANRHFSA-N 1 0 436.346 3.702 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001474652842 1126204933 /nfs/dbraw/zinc/20/49/33/1126204933.db2.gz UPSSZIFSSZULBF-QFIPXVFZSA-N 1 0 441.373 3.991 20 0 IHADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001560102218 1126208092 /nfs/dbraw/zinc/20/80/92/1126208092.db2.gz IPJDLHNVFPDVMM-RUZDIDTESA-N 1 0 439.577 3.920 20 0 IHADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)CC1 ZINC000008192043 562949077 /nfs/dbraw/zinc/94/90/77/562949077.db2.gz XLYYNVLBBGMBNP-UHFFFAOYSA-N 1 0 426.948 3.861 20 0 IHADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)c(Cl)nn1 ZINC001164390503 718826057 /nfs/dbraw/zinc/82/60/57/718826057.db2.gz PGQDFCQOBHPHAK-GOEBONIOSA-N 1 0 448.823 3.928 20 0 IHADRO c1ccc(SCc2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@H]5C3)n2)CCC4)cc1 ZINC001164404095 718839926 /nfs/dbraw/zinc/83/99/26/718839926.db2.gz LFGAQHKNPCPMMT-INIZCTEOSA-N 1 0 437.638 3.566 20 0 IHADRO c1ccc(SCc2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@@H]5C3)n2)CCC4)cc1 ZINC001164404104 718839971 /nfs/dbraw/zinc/83/99/71/718839971.db2.gz LFGAQHKNPCPMMT-MRXNPFEDSA-N 1 0 437.638 3.566 20 0 IHADRO c1sc2nc(CN3CCOCC3)nc(N3CCC(C4C[NH2+]C4)CC3)c2c1-c1ccccc1 ZINC001164615470 719037368 /nfs/dbraw/zinc/03/73/68/719037368.db2.gz NPMNKVQQZSELIN-UHFFFAOYSA-N 1 0 449.624 3.626 20 0 IHADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC001164624958 719094253 /nfs/dbraw/zinc/09/42/53/719094253.db2.gz FSPIRSBULLWRIF-MJGOQNOKSA-N 1 0 425.964 3.595 20 0 IHADRO CCOC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1C(=O)OCC ZINC001164627479 719114232 /nfs/dbraw/zinc/11/42/32/719114232.db2.gz KWINGJTXHNQICW-UGKGYDQZSA-N 1 0 437.540 3.536 20 0 IHADRO CCOC(=O)c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C(=O)OCC ZINC001164621628 719114283 /nfs/dbraw/zinc/11/42/83/719114283.db2.gz AJGDCPDXRUMBDX-TZIWHRDSSA-N 1 0 437.540 3.536 20 0 IHADRO [NH3+]C1([C@H]2CN(C(F)(F)Oc3cccc(COc4cncc(Cl)n4)c3)C[C@H]2CF)CC1 ZINC001164619220 719124248 /nfs/dbraw/zinc/12/42/48/719124248.db2.gz DDQDNYVHHIFSLH-ZBFHGGJFSA-N 1 0 442.869 3.647 20 0 IHADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3O2)n1 ZINC001164640358 719262196 /nfs/dbraw/zinc/26/21/96/719262196.db2.gz SQGDAUFXANDBFC-ILWGZMRPSA-N 1 0 437.588 3.826 20 0 IHADRO CC(C)N(c1nc(Cl)nc2c1CN(Cc1ccccc1)C2)c1ncnc2c1CC[NH2+]CC2 ZINC001164660566 719344881 /nfs/dbraw/zinc/34/48/81/719344881.db2.gz IMTIIERNUSHPAV-UHFFFAOYSA-N 1 0 449.990 3.671 20 0 IHADRO Cc1nc(Cl)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683463 719670278 /nfs/dbraw/zinc/67/02/78/719670278.db2.gz RXUKFTCPDSLYSV-SFHVURJKSA-N 1 0 442.007 3.532 20 0 IHADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164690232 719756925 /nfs/dbraw/zinc/75/69/25/719756925.db2.gz WEZZIEWVKJQART-UHFFFAOYSA-N 1 0 443.979 3.666 20 0 IHADRO CC(C)(C)OC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164694869 719891822 /nfs/dbraw/zinc/89/18/22/719891822.db2.gz FZOLBJNQDVRXCN-UHFFFAOYSA-N 1 0 429.586 3.970 20 0 IHADRO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164696993 719892570 /nfs/dbraw/zinc/89/25/70/719892570.db2.gz IUMXPQPGNFASOU-UHFFFAOYSA-N 1 0 435.977 3.845 20 0 IHADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696230 719895882 /nfs/dbraw/zinc/89/58/82/719895882.db2.gz CTFFLKYNDWZKLG-WAYWQWQTSA-N 1 0 427.570 3.509 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164718014 720108541 /nfs/dbraw/zinc/10/85/41/720108541.db2.gz QCEPDHCALIIARX-GOSISDBHSA-N 1 0 440.979 3.822 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164811557 720139409 /nfs/dbraw/zinc/13/94/09/720139409.db2.gz MLHFUJZENPSIOA-AOMKIAJQSA-N 1 0 447.942 3.641 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164710782 720147131 /nfs/dbraw/zinc/14/71/31/720147131.db2.gz CMHKSJHINGUIFR-JOCHJYFZSA-N 1 0 448.546 3.580 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c4c([nH]c31)CCC4)CC2 ZINC001164714726 720155240 /nfs/dbraw/zinc/15/52/40/720155240.db2.gz YJLKXHALTWPQBO-FQEVSTJZSA-N 1 0 431.584 3.954 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164818168 720167146 /nfs/dbraw/zinc/16/71/46/720167146.db2.gz RYHVNFPQNJFCDN-IBVKSMDESA-N 1 0 429.568 3.877 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164810888 720199019 /nfs/dbraw/zinc/19/90/19/720199019.db2.gz FJNUUHNRVSJTDN-KBXCAEBGSA-N 1 0 436.330 3.998 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3nc(Cl)cnc3cc1Cl)CCC2 ZINC001164812152 720219935 /nfs/dbraw/zinc/21/99/35/720219935.db2.gz FLXSABIFQNHVNY-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nc2Cl)CC1 ZINC001164826548 720293393 /nfs/dbraw/zinc/29/33/93/720293393.db2.gz VOHBEIUKYHNUOY-JKSUJKDBSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)CC1 ZINC001164820602 720296526 /nfs/dbraw/zinc/29/65/26/720296526.db2.gz HTTKHMYNSJRYOS-IRXDYDNUSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC001164820501 720300277 /nfs/dbraw/zinc/30/02/77/720300277.db2.gz HGXWAQCSBWVWMV-YADHBBJMSA-N 1 0 439.991 3.709 20 0 IHADRO Cc1cccc2c(Cl)nnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164823186 720316555 /nfs/dbraw/zinc/31/65/55/720316555.db2.gz PFDIVOOAFXVGDR-RBUKOAKNSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(-c3cccc(Cl)n3)n2)CC1 ZINC001164829479 720319365 /nfs/dbraw/zinc/31/93/65/720319365.db2.gz MRQBMCFFSJCTRO-LEWJYISDSA-N 1 0 439.991 3.709 20 0 IHADRO Cc1cc2nc(Cl)c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1C ZINC001164823367 720327128 /nfs/dbraw/zinc/32/71/28/720327128.db2.gz AXJFYJZCKDBZSX-RTWAWAEBSA-N 1 0 442.007 3.812 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829063 720327427 /nfs/dbraw/zinc/32/74/27/720327427.db2.gz LOYZBSSRSUGXPD-VQTJNVASSA-N 1 0 433.556 3.596 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164822756 720342568 /nfs/dbraw/zinc/34/25/68/720342568.db2.gz FEQWYCYYPMZANY-BJKOFHAPSA-N 1 0 433.600 3.672 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3c(Cl)cccc3nc2Cl)CC1 ZINC001164830026 720350942 /nfs/dbraw/zinc/35/09/42/720350942.db2.gz USVGMSFEBULHLO-ZWKOTPCHSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3c(Cl)ccc(F)c3n2)CC1 ZINC001164830089 720351154 /nfs/dbraw/zinc/35/11/54/720351154.db2.gz VEFQGISNNIOURO-WOJBJXKFSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2c(Cl)ccc3c(Cl)ncnc32)CC1 ZINC001164831683 720354368 /nfs/dbraw/zinc/35/43/68/720354368.db2.gz ZMVGIDPJMGTEEV-ROUUACIJSA-N 1 0 448.398 3.848 20 0 IHADRO O=C(c1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1)N1CCc2ccccc21 ZINC001164733805 720435941 /nfs/dbraw/zinc/43/59/41/720435941.db2.gz QBUDQFHOTPYDHK-ZEQRLZLVSA-N 1 0 425.536 3.533 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)C1 ZINC001164729908 720509120 /nfs/dbraw/zinc/50/91/20/720509120.db2.gz KNNMJGHIHBQETK-GFCCVEGCSA-N 1 0 441.313 3.876 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4ccc(F)cc43)CC[C@@H]21 ZINC001164837924 720514960 /nfs/dbraw/zinc/51/49/60/720514960.db2.gz QPYOOSHGTDKMDI-SYNHAJSKSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)OC(C)(C)C)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836724 720516592 /nfs/dbraw/zinc/51/65/92/720516592.db2.gz NNYOJINAUVVWPD-PCCBWWKXSA-N 1 0 425.577 3.611 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)OC(C)(C)C)ccn3)CC[C@@H]21 ZINC001164836706 720516890 /nfs/dbraw/zinc/51/68/90/720516890.db2.gz NNYOJINAUVVWPD-ACRUOGEOSA-N 1 0 425.577 3.611 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842555 720529421 /nfs/dbraw/zinc/52/94/21/720529421.db2.gz YHXMNBXDMIWTHA-HSALFYBXSA-N 1 0 437.979 3.766 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)C1 ZINC001164733827 720530465 /nfs/dbraw/zinc/53/04/65/720530465.db2.gz LTFNOMANHMMZIC-HNNXBMFYSA-N 1 0 432.906 3.736 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3CCCCC4)CC[C@@H]21 ZINC001164833636 720538159 /nfs/dbraw/zinc/53/81/59/720538159.db2.gz BARRQYHWZWCOHB-LQWHRVPQSA-N 1 0 429.012 3.973 20 0 IHADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccccc21 ZINC001164837363 720540128 /nfs/dbraw/zinc/54/01/28/720540128.db2.gz MBGMVRNFPBGERN-DCLXLUIPSA-N 1 0 447.583 3.986 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1Cl ZINC001164735808 720543644 /nfs/dbraw/zinc/54/36/44/720543644.db2.gz RQFNXTQLQGFYKQ-ZDUSSCGKSA-N 1 0 431.911 3.583 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(OCc4ccccc4)cnn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840155 720560473 /nfs/dbraw/zinc/56/04/73/720560473.db2.gz RWWAVFJTQVCPGN-AOHZBQACSA-N 1 0 432.572 3.630 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842530 720577810 /nfs/dbraw/zinc/57/78/10/720577810.db2.gz YCRJUNFMKTYECC-BZSNNMDCSA-N 1 0 442.999 3.635 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164737013 720586692 /nfs/dbraw/zinc/58/66/92/720586692.db2.gz YNJBFPICFSENKK-UHFFFAOYSA-N 1 0 426.927 3.791 20 0 IHADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164740206 720592925 /nfs/dbraw/zinc/59/29/25/720592925.db2.gz HUNLZAFOJNTIJQ-UHFFFAOYSA-N 1 0 432.302 3.668 20 0 IHADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841485 720614260 /nfs/dbraw/zinc/61/42/60/720614260.db2.gz SHHPQAFJQYHDDO-ZRCGQRJVSA-N 1 0 433.556 3.596 20 0 IHADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835990 720631336 /nfs/dbraw/zinc/63/13/36/720631336.db2.gz DPHMFPNBURLGBV-WXFUMESZSA-N 1 0 446.599 3.938 20 0 IHADRO COC(=O)c1cnc(Cl)cc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837604 720659957 /nfs/dbraw/zinc/65/99/57/720659957.db2.gz DJKIZYPPSWJAQN-GOSISDBHSA-N 1 0 429.948 3.782 20 0 IHADRO COC(=O)c1ccc2cnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2c1 ZINC001164837011 720668490 /nfs/dbraw/zinc/66/84/90/720668490.db2.gz ARXQHZIGOMEVTC-QFIPXVFZSA-N 1 0 446.551 3.676 20 0 IHADRO COC(=O)c1ccc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncc2c1 ZINC001164837587 720671503 /nfs/dbraw/zinc/67/15/03/720671503.db2.gz DFDLRZHBJAQUGH-QFIPXVFZSA-N 1 0 446.551 3.676 20 0 IHADRO COC(=O)c1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164844920 720689267 /nfs/dbraw/zinc/68/92/67/720689267.db2.gz WIMBHKOFZJRLCJ-SFHVURJKSA-N 1 0 429.948 3.782 20 0 IHADRO COCc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(SC)n1 ZINC001164840560 720689545 /nfs/dbraw/zinc/68/95/45/720689545.db2.gz GNNNSRGMPDKCIZ-FQEVSTJZSA-N 1 0 428.602 3.605 20 0 IHADRO COc1nc(-c2ccccc2)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839762 720697453 /nfs/dbraw/zinc/69/74/53/720697453.db2.gz BQNCFQFIZHZTMW-JOCHJYFZSA-N 1 0 445.567 3.807 20 0 IHADRO Fc1ccc(Cl)nc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842098 720742422 /nfs/dbraw/zinc/74/24/22/720742422.db2.gz CINZITWVMMZASS-UHFFFAOYSA-N 1 0 448.880 3.776 20 0 IHADRO Fc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164745257 720755345 /nfs/dbraw/zinc/75/53/45/720755345.db2.gz UJLUQCXINDVLSO-ROUUACIJSA-N 1 0 448.527 3.629 20 0 IHADRO Cc1sc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164738241 720765586 /nfs/dbraw/zinc/76/55/86/720765586.db2.gz FHAUYVNDGFOVBP-MOPGFXCFSA-N 1 0 444.564 3.799 20 0 IHADRO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746664 720809373 /nfs/dbraw/zinc/80/93/73/720809373.db2.gz MHZVECWVLZCOHQ-SLYNCCJLSA-N 1 0 440.954 3.998 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746752 720829714 /nfs/dbraw/zinc/82/97/14/720829714.db2.gz YVFVSJBUGJYVPZ-LVCYWYKZSA-N 1 0 437.979 3.563 20 0 IHADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749702 720836061 /nfs/dbraw/zinc/83/60/61/720836061.db2.gz WPUUAUSLSVFVIT-RCCFBDPRSA-N 1 0 436.938 3.559 20 0 IHADRO COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164743092 720836705 /nfs/dbraw/zinc/83/67/05/720836705.db2.gz IOJSDZFRSSCYME-DCLXLUIPSA-N 1 0 432.572 3.523 20 0 IHADRO Cc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740545 720839499 /nfs/dbraw/zinc/83/94/99/720839499.db2.gz CSLHBEHXTOVHMC-CMKODMSKSA-N 1 0 437.979 3.563 20 0 IHADRO CCCCOc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164751907 720843023 /nfs/dbraw/zinc/84/30/23/720843023.db2.gz ZMVVMRFMUDNKFC-WOIUINJBSA-N 1 0 445.011 3.885 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@H]2C1 ZINC001164852554 720844439 /nfs/dbraw/zinc/84/44/39/720844439.db2.gz KUYSQAHUSXKOCD-DOTOQJQBSA-N 1 0 430.599 3.593 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC[C@@H]2C1 ZINC001164854719 720845566 /nfs/dbraw/zinc/84/55/66/720845566.db2.gz RSWBMMMVIKSRDI-MNOVXSKESA-N 1 0 429.175 3.869 20 0 IHADRO FC(F)c1nc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751092 720851094 /nfs/dbraw/zinc/85/10/94/720851094.db2.gz YMGSDLDLMQUYJZ-ABSDTBQOSA-N 1 0 439.514 3.538 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164859610 720852558 /nfs/dbraw/zinc/85/25/58/720852558.db2.gz UURKCVVFZKGEOL-BJKOFHAPSA-N 1 0 444.579 3.984 20 0 IHADRO Fc1cccc2c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164745494 720858302 /nfs/dbraw/zinc/85/83/02/720858302.db2.gz DUHIUHBFLYLRSJ-FUHIMQAGSA-N 1 0 440.954 3.998 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@@H]2C1 ZINC001164856065 720865717 /nfs/dbraw/zinc/86/57/17/720865717.db2.gz OHJVMWBCSHDDMO-VQIMIIECSA-N 1 0 425.907 3.607 20 0 IHADRO Cc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750149 720867563 /nfs/dbraw/zinc/86/75/63/720867563.db2.gz JBACNQIARMTGKU-OFNKIYASSA-N 1 0 427.980 3.589 20 0 IHADRO Clc1cc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164751670 720873521 /nfs/dbraw/zinc/87/35/21/720873521.db2.gz LVBVMHWWOKLVPA-GCJKJVERSA-N 1 0 448.398 3.934 20 0 IHADRO Fc1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752985 720875570 /nfs/dbraw/zinc/87/55/70/720875570.db2.gz OBIQEANSWKWNME-LVXARBLLSA-N 1 0 447.558 3.919 20 0 IHADRO COc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750097 720875743 /nfs/dbraw/zinc/87/57/43/720875743.db2.gz ITHACNIZGMCQRL-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC[C@@H]2C1 ZINC001164861633 720881759 /nfs/dbraw/zinc/88/17/59/720881759.db2.gz PWHLKAMDILYOCM-AOYPEHQESA-N 1 0 444.579 3.984 20 0 IHADRO c1coc(-c2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cn2)c1 ZINC001164750480 720885721 /nfs/dbraw/zinc/88/57/21/720885721.db2.gz BHNMLLQBYHDRTE-GJZUVCINSA-N 1 0 445.567 3.887 20 0 IHADRO Cc1cnc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755992 720892430 /nfs/dbraw/zinc/89/24/30/720892430.db2.gz NYJPVVRVSAANHH-NZQKXSOJSA-N 1 0 427.980 3.589 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@@H]2C1 ZINC001164857557 720893115 /nfs/dbraw/zinc/89/31/15/720893115.db2.gz ITRYCFHRHOZFSJ-UZLBHIALSA-N 1 0 443.966 3.722 20 0 IHADRO Fc1cccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164758444 720894120 /nfs/dbraw/zinc/89/41/20/720894120.db2.gz YDPCZOAMQRTJMQ-LVXARBLLSA-N 1 0 447.558 3.919 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)NCc1ccccc1)[C@H]2C ZINC001164860378 720930367 /nfs/dbraw/zinc/93/03/67/720930367.db2.gz QVIZTPRTDDHJRR-IBGZPJMESA-N 1 0 432.572 3.630 20 0 IHADRO CCc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752654 720931298 /nfs/dbraw/zinc/93/12/98/720931298.db2.gz OHVSZJWXFCZVJJ-RDPSFJRHSA-N 1 0 442.007 3.843 20 0 IHADRO FC(F)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755060 720931578 /nfs/dbraw/zinc/93/15/78/720931578.db2.gz XZRIAQKLGMZYSH-OFNKIYASSA-N 1 0 429.515 3.564 20 0 IHADRO COC(=O)c1cc2c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)[nH]c(Cl)cc-2n1 ZINC001164863567 720984693 /nfs/dbraw/zinc/98/46/93/720984693.db2.gz WLQDBLDFEWSFIT-CYBMUJFWSA-N 1 0 430.940 3.621 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)[C@H]2C ZINC001164856362 721003318 /nfs/dbraw/zinc/00/33/18/721003318.db2.gz BYDQHTHBZKZQNE-KRWDZBQOSA-N 1 0 434.544 3.533 20 0 IHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)ccc4S(N)(=O)=O)CC3)CC2)cc1 ZINC001164760006 721046620 /nfs/dbraw/zinc/04/66/20/721046620.db2.gz TZUNCIVLULKMNC-UHFFFAOYSA-N 1 0 449.020 3.573 20 0 IHADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869948 721052534 /nfs/dbraw/zinc/05/25/34/721052534.db2.gz USIDBZSTDKRXHV-HZPDHXFCSA-N 1 0 429.298 3.808 20 0 IHADRO Clc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164865801 721087433 /nfs/dbraw/zinc/08/74/33/721087433.db2.gz PPCIWUNEWKVLOD-JKSUJKDBSA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C[C@@H]3C2)cn1 ZINC001164769247 721089905 /nfs/dbraw/zinc/08/99/05/721089905.db2.gz OKPBVEZYAYATIN-CVEARBPZSA-N 1 0 432.906 3.520 20 0 IHADRO Cc1cccc(Sc2cncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876516 721125901 /nfs/dbraw/zinc/12/59/01/721125901.db2.gz MYUFBXPYZYPNGO-LEWJYISDSA-N 1 0 433.581 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164771910 721203747 /nfs/dbraw/zinc/20/37/47/721203747.db2.gz RYWVKOOREMRBMZ-DLBZAZTESA-N 1 0 442.926 3.753 20 0 IHADRO O=C(NC[C@H]1CCC[C@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)O1)c1ccccc1 ZINC001164879262 721259979 /nfs/dbraw/zinc/25/99/79/721259979.db2.gz XMLNRJFJNTZTDL-ZEQKJWHPSA-N 1 0 434.584 3.625 20 0 IHADRO COc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc2ccccc21 ZINC001164779944 721361025 /nfs/dbraw/zinc/36/10/25/721361025.db2.gz BABRUIWTOIPHKN-RUZDIDTESA-N 1 0 436.556 3.967 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)nc1 ZINC001164892177 721377343 /nfs/dbraw/zinc/37/73/43/721377343.db2.gz RZVJNCQZRYGUPU-JTHBVZDNSA-N 1 0 434.650 3.803 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164893578 721386724 /nfs/dbraw/zinc/38/67/24/721386724.db2.gz VJVHVNRLKNDMHR-APWZRJJASA-N 1 0 449.373 3.699 20 0 IHADRO c1csc(CN2C[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164781626 721403459 /nfs/dbraw/zinc/40/34/59/721403459.db2.gz CIKBOWPUGRSMDA-FGZHOGPDSA-N 1 0 431.609 3.665 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4-c4ccccc4)C3)O2)CC1 ZINC001164893004 721413425 /nfs/dbraw/zinc/41/34/25/721413425.db2.gz ZVKOTZAHXBKDFK-GBXCKJPGSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1ccc2cc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164890541 721423321 /nfs/dbraw/zinc/42/33/21/721423321.db2.gz SZNZJWOYTDNTCZ-GBXCKJPGSA-N 1 0 429.008 3.962 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164785080 721455261 /nfs/dbraw/zinc/45/52/61/721455261.db2.gz GITOWTWDAGHWDB-OAQYLSRUSA-N 1 0 442.579 3.811 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164784069 721459630 /nfs/dbraw/zinc/45/96/30/721459630.db2.gz GSAYDKLOVPBWNO-PZJWPPBQSA-N 1 0 425.976 3.933 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164787605 721463062 /nfs/dbraw/zinc/46/30/62/721463062.db2.gz RONNBHJSHZQADN-QGZVFWFLSA-N 1 0 434.968 3.610 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3ccc(OC)cc31)CC2 ZINC001164783648 721464171 /nfs/dbraw/zinc/46/41/71/721464171.db2.gz DZGMOABBLYOTRO-QFIPXVFZSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3scc(C)c3n1)CC2 ZINC001164787854 721464774 /nfs/dbraw/zinc/46/47/74/721464774.db2.gz SRBOXBIJSVCFBF-IBGZPJMESA-N 1 0 430.618 3.734 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164790621 721470911 /nfs/dbraw/zinc/47/09/11/721470911.db2.gz SNAPJTYKUWOKQF-HSZRJFAPSA-N 1 0 443.632 3.885 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164788128 721471009 /nfs/dbraw/zinc/47/10/09/721471009.db2.gz IGIYWSVFNQLZOC-JOCHJYFZSA-N 1 0 438.616 3.981 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3c4c([nH]c31)CCC4)CC2 ZINC001164790020 721471582 /nfs/dbraw/zinc/47/15/82/721471582.db2.gz QAVYVTBWOOKJAA-FQEVSTJZSA-N 1 0 438.616 3.786 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164791643 721490466 /nfs/dbraw/zinc/49/04/66/721490466.db2.gz DGOXWHJAJLIXSR-UHFFFAOYSA-N 1 0 433.600 3.984 20 0 IHADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164901223 721495373 /nfs/dbraw/zinc/49/53/73/721495373.db2.gz UPYPTLXHXOXBNI-CGTJXYLNSA-N 1 0 444.008 3.688 20 0 IHADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792264 721496010 /nfs/dbraw/zinc/49/60/10/721496010.db2.gz LXKAWHRVPYVDGS-UHFFFAOYSA-N 1 0 443.979 3.512 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164795355 721500178 /nfs/dbraw/zinc/50/01/78/721500178.db2.gz GAWXRYKNHLBKIX-UHFFFAOYSA-N 1 0 437.922 3.873 20 0 IHADRO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796629 721504417 /nfs/dbraw/zinc/50/44/17/721504417.db2.gz USQPHFAOHPZLFX-UHFFFAOYSA-N 1 0 442.995 3.546 20 0 IHADRO COc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899038 721508911 /nfs/dbraw/zinc/50/89/11/721508911.db2.gz JRVVMWWSLODNIS-QAPCUYQASA-N 1 0 428.895 3.773 20 0 IHADRO CSc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164896317 721514406 /nfs/dbraw/zinc/51/44/06/721514406.db2.gz AZFICAIFSOWYEJ-UKRRQHHQSA-N 1 0 444.910 3.878 20 0 IHADRO CSc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164896314 721514639 /nfs/dbraw/zinc/51/46/39/721514639.db2.gz AZFICAIFSOWYEJ-DZGCQCFKSA-N 1 0 444.910 3.878 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)ncc4Cl)CC[N@@H+]3C2)c1 ZINC001164897649 721522005 /nfs/dbraw/zinc/52/20/05/721522005.db2.gz GEAABIIWZHZQPU-GXTWGEPZSA-N 1 0 433.261 3.809 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908625 721536036 /nfs/dbraw/zinc/53/60/36/721536036.db2.gz PWAZMXWUTDJTCH-DOTOQJQBSA-N 1 0 428.895 3.773 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC[N@@H+]3C2)c1 ZINC001164911506 721542476 /nfs/dbraw/zinc/54/24/76/721542476.db2.gz XCCXSEAAWNQSPJ-GDBMZVCRSA-N 1 0 449.864 3.704 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CC[N@@H+]3C2)c1 ZINC001164911536 721551585 /nfs/dbraw/zinc/55/15/85/721551585.db2.gz ZHCVTQHUSBKLJY-UKRRQHHQSA-N 1 0 434.302 3.813 20 0 IHADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2ccccc21 ZINC001164803680 721552310 /nfs/dbraw/zinc/55/23/10/721552310.db2.gz ISMRPAGDCXWNMB-CUYJMHBOSA-N 1 0 446.551 3.675 20 0 IHADRO COc1cc2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OC ZINC001164809925 721558718 /nfs/dbraw/zinc/55/87/18/721558718.db2.gz YHGIEGKZXKFDJO-AWRGLXIESA-N 1 0 434.540 3.515 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164908657 721561371 /nfs/dbraw/zinc/56/13/71/721561371.db2.gz RKJITXGOXGMAAB-TZIWHRDSSA-N 1 0 431.515 3.508 20 0 IHADRO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904416 721582517 /nfs/dbraw/zinc/58/25/17/721582517.db2.gz QBVLAGIBHAEYLF-QFIPXVFZSA-N 1 0 428.531 3.740 20 0 IHADRO CCOC(=O)c1ccc(C)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905767 721583258 /nfs/dbraw/zinc/58/32/58/721583258.db2.gz WSXZEHAMFXQFNB-JOCHJYFZSA-N 1 0 430.499 3.699 20 0 IHADRO CSc1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905099 721583904 /nfs/dbraw/zinc/58/39/04/721583904.db2.gz SDECJIJKCUTZLK-GOSISDBHSA-N 1 0 425.936 3.985 20 0 IHADRO CCOC(=O)/C=C/c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906613 721585557 /nfs/dbraw/zinc/58/55/57/721585557.db2.gz NQKDCKGLKBTEJS-UPWIVDSGSA-N 1 0 442.510 3.791 20 0 IHADRO FC(F)(c1cnc(Cl)cn1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906670 721586143 /nfs/dbraw/zinc/58/61/43/721586143.db2.gz OGTGXTJZHKRJDN-QGZVFWFLSA-N 1 0 429.849 3.808 20 0 IHADRO FC(F)(c1cnc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904333 721691766 /nfs/dbraw/zinc/69/17/66/721691766.db2.gz FRCVPGFGECARAA-KRWDZBQOSA-N 1 0 429.849 3.808 20 0 IHADRO FC(F)(c1ccc(Cl)nn1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907093 721691978 /nfs/dbraw/zinc/69/19/78/721691978.db2.gz RLQNETPEEYLOLX-KRWDZBQOSA-N 1 0 429.849 3.808 20 0 IHADRO COC(=O)c1cc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907461 721693474 /nfs/dbraw/zinc/69/34/74/721693474.db2.gz TYHQSJHUIDEUNW-FQEVSTJZSA-N 1 0 436.890 3.654 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3cnccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904841 721697087 /nfs/dbraw/zinc/69/70/87/721697087.db2.gz GWXAZTKLRFJYKD-FQEVSTJZSA-N 1 0 430.890 3.811 20 0 IHADRO CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1C ZINC001164904162 721708469 /nfs/dbraw/zinc/70/84/69/721708469.db2.gz AIQPFZPBOVBHCQ-QFIPXVFZSA-N 1 0 430.499 3.699 20 0 IHADRO CCOC(=O)c1c(C)ccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907819 721716791 /nfs/dbraw/zinc/71/67/91/721716791.db2.gz UMBWYIJRJHLFSG-QFIPXVFZSA-N 1 0 430.499 3.699 20 0 IHADRO COC(OC)c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906931 721718498 /nfs/dbraw/zinc/71/84/98/721718498.db2.gz PBEPSSIRIJFUMN-JOCHJYFZSA-N 1 0 432.515 3.814 20 0 IHADRO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165027125 721812214 /nfs/dbraw/zinc/81/22/14/721812214.db2.gz SJPPZPLNJQGLMK-BPUDTRNYSA-N 1 0 445.567 3.938 20 0 IHADRO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027400 721816549 /nfs/dbraw/zinc/81/65/49/721816549.db2.gz UQUQWPDQRPLVEW-WWNPGLIZSA-N 1 0 443.599 3.737 20 0 IHADRO COc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025976 721816584 /nfs/dbraw/zinc/81/65/84/721816584.db2.gz ORAZWHWDEXMTDF-BVSLBCMMSA-N 1 0 430.556 3.679 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C(=O)N(C)C)cc2Cl)CC1 ZINC001165022766 721843969 /nfs/dbraw/zinc/84/39/69/721843969.db2.gz UGMJBBONSYWRSU-UHFFFAOYSA-N 1 0 446.979 3.555 20 0 IHADRO COC(=O)c1cc(Cl)c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1C ZINC001165030951 721844840 /nfs/dbraw/zinc/84/48/40/721844840.db2.gz MVLVRKHTIHMHAE-UHFFFAOYSA-N 1 0 447.963 3.948 20 0 IHADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)n2)cc1 ZINC001164930471 721856297 /nfs/dbraw/zinc/85/62/97/721856297.db2.gz SDSLVOBMAWNPLJ-GOTSBHOMSA-N 1 0 435.547 3.659 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164921054 721866620 /nfs/dbraw/zinc/86/66/20/721866620.db2.gz CDFCGYUFEYNYIN-HZPDHXFCSA-N 1 0 430.330 3.696 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164933048 721890190 /nfs/dbraw/zinc/89/01/90/721890190.db2.gz JFJKAZFPBBNFQT-MOPGFXCFSA-N 1 0 439.913 3.696 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCC[C@@H](C)C5)ncn4)CC3)C2)cc1 ZINC001164938630 721932380 /nfs/dbraw/zinc/93/23/80/721932380.db2.gz BYGQAYDHOFICCC-JOCHJYFZSA-N 1 0 435.616 3.893 20 0 IHADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047658 721968003 /nfs/dbraw/zinc/96/80/03/721968003.db2.gz LIMFJQDECFHSNU-LJQANCHMSA-N 1 0 439.585 3.513 20 0 IHADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc2N1C1CCCC1 ZINC001165050079 721970281 /nfs/dbraw/zinc/97/02/81/721970281.db2.gz ZUNXYFHFWINDCZ-PZJWPPBQSA-N 1 0 440.636 3.825 20 0 IHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c12 ZINC001165055568 722017246 /nfs/dbraw/zinc/01/72/46/722017246.db2.gz QAISWTHUVYBZLH-UHFFFAOYSA-N 1 0 426.568 3.856 20 0 IHADRO COC(=O)c1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ccc2c1 ZINC001164964526 722055035 /nfs/dbraw/zinc/05/50/35/722055035.db2.gz VJRDANFHQIPYPZ-UHFFFAOYSA-N 1 0 446.551 3.535 20 0 IHADRO c1ccc(COc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164963874 722055695 /nfs/dbraw/zinc/05/56/95/722055695.db2.gz PGAOWJTVODJKMO-UHFFFAOYSA-N 1 0 445.567 3.570 20 0 IHADRO Clc1nc2c(nc1N1CCC3(CC1)COCC[N@H+](Cc1ccncc1)C3)CCCC2 ZINC001164966501 722062523 /nfs/dbraw/zinc/06/25/23/722062523.db2.gz VFARFXNBKVBBBM-UHFFFAOYSA-N 1 0 427.980 3.523 20 0 IHADRO Clc1cc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)ccn1 ZINC001164986566 722107073 /nfs/dbraw/zinc/10/70/73/722107073.db2.gz ZHJGNTFBTZTLPW-YADHBBJMSA-N 1 0 435.959 3.919 20 0 IHADRO CSc1nc2ccsc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975089 722112875 /nfs/dbraw/zinc/11/28/75/722112875.db2.gz JKEXGPQUHTVFFX-AEFFLSMTSA-N 1 0 427.599 3.536 20 0 IHADRO Fc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164978358 722113806 /nfs/dbraw/zinc/11/38/06/722113806.db2.gz OLSVFDMGUYOWPW-YJBOKZPZSA-N 1 0 426.870 3.541 20 0 IHADRO Clc1cccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164984956 722144875 /nfs/dbraw/zinc/14/48/75/722144875.db2.gz YMBDYVNLJIMDNJ-NFBKMPQASA-N 1 0 435.959 3.919 20 0 IHADRO Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973105 722147387 /nfs/dbraw/zinc/14/73/87/722147387.db2.gz AYAHOKARESBWEU-XMSQKQJNSA-N 1 0 437.494 3.544 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164977091 722147499 /nfs/dbraw/zinc/14/74/99/722147499.db2.gz IROJPPLRCFYWOQ-ILBGXUMGSA-N 1 0 429.568 3.828 20 0 IHADRO c1ccc(CSc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164985451 722149188 /nfs/dbraw/zinc/14/91/88/722149188.db2.gz ZNJRUWMAGVCANO-GOTSBHOMSA-N 1 0 447.608 3.891 20 0 IHADRO c1ccc(SCc2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973261 722154547 /nfs/dbraw/zinc/15/45/47/722154547.db2.gz LWFDRKBMLPVZPH-GMAHTHKFSA-N 1 0 447.608 3.891 20 0 IHADRO FC(F)(N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975272 722157475 /nfs/dbraw/zinc/15/74/75/722157475.db2.gz QSBKRLHQQIJHCI-QUCCMNQESA-N 1 0 448.945 3.977 20 0 IHADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)c1 ZINC001164979960 722165427 /nfs/dbraw/zinc/16/54/27/722165427.db2.gz VVDAWLUSTSJOCK-WIOPSUGQSA-N 1 0 429.605 3.891 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1 ZINC001165002103 722248212 /nfs/dbraw/zinc/24/82/12/722248212.db2.gz WGYRKJZEVRWIIZ-FQEVSTJZSA-N 1 0 432.528 3.827 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)ncc1Cl)CCC2 ZINC001165000938 722250797 /nfs/dbraw/zinc/25/07/97/722250797.db2.gz WWQWTWAYTFCQEY-UHFFFAOYSA-N 1 0 434.318 3.618 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1c(Cl)ccc3c(Cl)ncnc31)CCC2 ZINC001165004034 722258189 /nfs/dbraw/zinc/25/81/89/722258189.db2.gz LTYLAFPBKOFUEP-UHFFFAOYSA-N 1 0 435.359 3.622 20 0 IHADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(F)(F)F ZINC000604766082 1126099753 /nfs/dbraw/zinc/09/97/53/1126099753.db2.gz OMAZKUZYZLJTFO-YJBOKZPZSA-N 1 0 446.263 3.844 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1OC ZINC001203581578 1126159078 /nfs/dbraw/zinc/15/90/78/1126159078.db2.gz POAGGHBOEGVUBA-JOCHJYFZSA-N 1 0 449.473 3.992 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cncc(-c3cc(F)ccc3OC)c2)cc1OC ZINC001308116445 1126163182 /nfs/dbraw/zinc/16/31/82/1126163182.db2.gz FAVLMAFQTRRNCJ-VWLOTQADSA-N 1 0 440.515 3.997 20 0 IHADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC001308495440 1126167321 /nfs/dbraw/zinc/16/73/21/1126167321.db2.gz ZPJDDHLKAPKRLM-LJQANCHMSA-N 1 0 426.738 3.957 20 0 IHADRO OC[C@]1([NH2+]Cc2nc(-c3ccccc3F)no2)CCc2cc(Br)ccc2C1 ZINC001473641491 1126198447 /nfs/dbraw/zinc/19/84/47/1126198447.db2.gz PQSFMWQNPUCPGI-FQEVSTJZSA-N 1 0 432.293 3.648 20 0 IHADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001473752332 1126199161 /nfs/dbraw/zinc/19/91/61/1126199161.db2.gz WBTAERCNKXNPRJ-JOCHJYFZSA-N 1 0 442.357 3.998 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccnn1CCc1ccccc1 ZINC001461669491 1126195590 /nfs/dbraw/zinc/19/55/90/1126195590.db2.gz FCHOESPEWQSEKC-JOCHJYFZSA-N 1 0 428.374 3.972 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)cc1OC ZINC001621057470 1126245600 /nfs/dbraw/zinc/24/56/00/1126245600.db2.gz GHNCWTBLYKICKW-RUZDIDTESA-N 1 0 444.572 3.812 20 0 IHADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)on2)C1 ZINC001621486849 1126246736 /nfs/dbraw/zinc/24/67/36/1126246736.db2.gz FHVIOPQWSMRGGQ-JOCHJYFZSA-N 1 0 435.952 3.746 20 0 IHADRO c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164389457 718824473 /nfs/dbraw/zinc/82/44/73/718824473.db2.gz IOJWXDRHDPGVKC-NHCUHLMSSA-N 1 0 449.624 3.911 20 0 IHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413203 718879907 /nfs/dbraw/zinc/87/99/07/718879907.db2.gz DALDSOHFJIECOL-NSHDSACASA-N 1 0 442.816 3.505 20 0 IHADRO COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164431046 718954578 /nfs/dbraw/zinc/95/45/78/718954578.db2.gz ZTBOADZQLXBNKP-DEOSSOPVSA-N 1 0 448.611 3.677 20 0 IHADRO COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164427450 718954706 /nfs/dbraw/zinc/95/47/06/718954706.db2.gz CRGWPSHIXYEZJU-DEOSSOPVSA-N 1 0 448.611 3.679 20 0 IHADRO COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164428246 718954774 /nfs/dbraw/zinc/95/47/74/718954774.db2.gz IGCRDURXYKHNHM-DEOSSOPVSA-N 1 0 448.611 3.679 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C)nc(Cl)c1)C2 ZINC001164619694 719006828 /nfs/dbraw/zinc/00/68/28/719006828.db2.gz WTULNNTYJUAWFW-UZLBHIALSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C)cc(Cl)n1)C2 ZINC001164616128 719009222 /nfs/dbraw/zinc/00/92/22/719009222.db2.gz KLIAHOUJCRWHPI-FOIQADDNSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(C)c(Cl)n1)C2 ZINC001164614167 719009316 /nfs/dbraw/zinc/00/93/16/719009316.db2.gz DFLKOJZNYLATGI-QRWLVFNGSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(C)c(Cl)n1)C2 ZINC001164614165 719009559 /nfs/dbraw/zinc/00/95/59/719009559.db2.gz DFLKOJZNYLATGI-MGPUTAFESA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164618238 719018302 /nfs/dbraw/zinc/01/83/02/719018302.db2.gz RINGAOUANAWJTE-KKXDTOCCSA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)cc(OCc4ccccc4)n3)CC2)CC1 ZINC001164618052 719034098 /nfs/dbraw/zinc/03/40/98/719034098.db2.gz RMMRPTUIAPUMRY-UHFFFAOYSA-N 1 0 438.572 3.608 20 0 IHADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626209 719044324 /nfs/dbraw/zinc/04/43/24/719044324.db2.gz QZDMGMYJRRRJLK-UTKZUKDTSA-N 1 0 433.934 3.859 20 0 IHADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164623309 719050116 /nfs/dbraw/zinc/05/01/16/719050116.db2.gz MQZSWBRCAFUHGX-KUHUBIRLSA-N 1 0 435.931 3.954 20 0 IHADRO Cc1cc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc(N3CCOCC3)c2s1 ZINC001164621020 719086078 /nfs/dbraw/zinc/08/60/78/719086078.db2.gz GDPIMJGWDLYWQP-UNMCSNQZSA-N 1 0 449.624 3.937 20 0 IHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC001164625964 719095626 /nfs/dbraw/zinc/09/56/26/719095626.db2.gz HTCUYUNGPNPJRF-QFBILLFUSA-N 1 0 439.947 3.509 20 0 IHADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2ccccc2C(F)(F)F)c1 ZINC001164633810 719137235 /nfs/dbraw/zinc/13/72/35/719137235.db2.gz SWAPPUAYDLTDMV-OAHLLOKOSA-N 1 0 449.807 3.917 20 0 IHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164637181 719237450 /nfs/dbraw/zinc/23/74/50/719237450.db2.gz UMISKNYKRVDHMJ-JKSUJKDBSA-N 1 0 445.633 3.691 20 0 IHADRO Cc1noc([C@@H]2C[C@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164648833 719298542 /nfs/dbraw/zinc/29/85/42/719298542.db2.gz GFBRFWUKKAMJIL-OIBXWCBGSA-N 1 0 431.540 3.688 20 0 IHADRO C[N@H+](Cc1ccc(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)nc1)C1CC1 ZINC001164656640 719323408 /nfs/dbraw/zinc/32/34/08/719323408.db2.gz YXQIOJOBAMWJRM-UHFFFAOYSA-N 1 0 444.583 3.819 20 0 IHADRO CC(C)C[NH+]1CCN(c2ccc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)CC1 ZINC001164651268 719330323 /nfs/dbraw/zinc/33/03/23/719330323.db2.gz DUSJTDRCIZVTFR-UHFFFAOYSA-N 1 0 445.546 3.805 20 0 IHADRO CC(C)C[NH+]1CCN(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)CC1 ZINC001164657595 719339597 /nfs/dbraw/zinc/33/95/97/719339597.db2.gz TWKAHRHHRWJIAM-UHFFFAOYSA-N 1 0 426.895 3.912 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164668199 719443185 /nfs/dbraw/zinc/44/31/85/719443185.db2.gz IGVHHOASWFFYCU-QZTJIDSGSA-N 1 0 438.622 3.992 20 0 IHADRO CC(C)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164681870 719664875 /nfs/dbraw/zinc/66/48/75/719664875.db2.gz NUWHAGKTYMLVLM-HXUWFJFHSA-N 1 0 435.616 3.693 20 0 IHADRO CC(C)c1cncnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682901 719667798 /nfs/dbraw/zinc/66/77/98/719667798.db2.gz PZRFKTYONIAHPL-FQEVSTJZSA-N 1 0 435.616 3.693 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4occc4n3)CC2)c2ccccc21 ZINC001164686068 719671153 /nfs/dbraw/zinc/67/11/53/719671153.db2.gz WNSPDVDDKHNBRF-IBGZPJMESA-N 1 0 432.568 3.921 20 0 IHADRO CCOc1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682052 719680596 /nfs/dbraw/zinc/68/05/96/719680596.db2.gz BQLNVMNGWRQWKV-FQEVSTJZSA-N 1 0 436.600 3.574 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(C(F)F)cn3)CC2)c2ccccc21 ZINC001164687200 719682199 /nfs/dbraw/zinc/68/21/99/719682199.db2.gz QUVBQNKYZMBWLM-QGZVFWFLSA-N 1 0 443.542 3.508 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(-c3ccc(C)cc3)c3ccccc31)CC2 ZINC001164689563 719739778 /nfs/dbraw/zinc/73/97/78/719739778.db2.gz HYJGAAAFFCJUGQ-UHFFFAOYSA-N 1 0 429.568 3.786 20 0 IHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4cc5c(cc42)OCCO5)CC3)cs1 ZINC001164692383 719805569 /nfs/dbraw/zinc/80/55/69/719805569.db2.gz NPSKZZNUTBGZIL-UHFFFAOYSA-N 1 0 437.569 3.801 20 0 IHADRO O=C(c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2)N1CCCCC1 ZINC001164695659 719886849 /nfs/dbraw/zinc/88/68/49/719886849.db2.gz PNJKAQPSVQSGLA-UHFFFAOYSA-N 1 0 440.613 3.641 20 0 IHADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698180 719895895 /nfs/dbraw/zinc/89/58/95/719895895.db2.gz PJRSXWMGZZMJLI-UHFFFAOYSA-N 1 0 446.976 3.897 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164712117 720094163 /nfs/dbraw/zinc/09/41/63/720094163.db2.gz VPDLXOBYSHKGKJ-KRWDZBQOSA-N 1 0 426.952 3.514 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164710667 720102473 /nfs/dbraw/zinc/10/24/73/720102473.db2.gz KVYYLDWVNUADNU-KRWDZBQOSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1OC)CC2 ZINC001164712053 720106121 /nfs/dbraw/zinc/10/61/21/720106121.db2.gz UROLYXTVDMQQRE-FQEVSTJZSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3ccc(OC)cc3n1)CC2 ZINC001164716967 720119228 /nfs/dbraw/zinc/11/92/28/720119228.db2.gz MNDBRRDNLQAOHA-HXUWFJFHSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C(C)C)CC2 ZINC001164714131 720135864 /nfs/dbraw/zinc/13/58/64/720135864.db2.gz WIHZKEMZFVGGTN-OAQYLSRUSA-N 1 0 434.588 3.915 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cccc(OC)c31)CC2 ZINC001164710479 720143614 /nfs/dbraw/zinc/14/36/14/720143614.db2.gz BVCJBNDLWKZSHS-FQEVSTJZSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)C2 ZINC001164816866 720172316 /nfs/dbraw/zinc/17/23/16/720172316.db2.gz NMHCEFUEFGRYQQ-NBGIEHNGSA-N 1 0 433.556 3.778 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164812393 720180123 /nfs/dbraw/zinc/18/01/23/720180123.db2.gz AFVRQBSBZFWQHH-BWKNWUBXSA-N 1 0 425.548 3.984 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164813837 720236727 /nfs/dbraw/zinc/23/67/27/720236727.db2.gz PXFVMPAGTWWTNE-UHFFFAOYSA-N 1 0 433.000 3.543 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3c(F)ccc(F)c13)CCC2 ZINC001164815756 720245332 /nfs/dbraw/zinc/24/53/32/720245332.db2.gz FAARGXCGTHYXKX-UHFFFAOYSA-N 1 0 447.917 3.974 20 0 IHADRO O=C1N(CC2CC2)CC[C@@]12CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164819876 720278884 /nfs/dbraw/zinc/27/88/84/720278884.db2.gz SQDGDSRBCUWBBZ-HHHXNRCGSA-N 1 0 430.596 3.869 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)CC1 ZINC001164824557 720292803 /nfs/dbraw/zinc/29/28/03/720292803.db2.gz RMJBXSMSBGMHSY-IAGOWNOFSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc3ccc(F)cc32)CC1 ZINC001164821644 720306882 /nfs/dbraw/zinc/30/68/82/720306882.db2.gz LSHNFXZTRDZGBS-WOJBJXKFSA-N 1 0 430.955 3.939 20 0 IHADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823282 720317568 /nfs/dbraw/zinc/31/75/68/720317568.db2.gz AGSKWVIJXIBHFK-RTWAWAEBSA-N 1 0 442.991 3.808 20 0 IHADRO COc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823284 720317858 /nfs/dbraw/zinc/31/78/58/720317858.db2.gz AGSKWVIJXIBHFK-SFTDATJTSA-N 1 0 442.991 3.808 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3cccc(Cl)c32)CC1 ZINC001164827819 720318719 /nfs/dbraw/zinc/31/87/19/720318719.db2.gz ISGIICFOQHJXMG-ZWKOTPCHSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1C ZINC001164823365 720327462 /nfs/dbraw/zinc/32/74/62/720327462.db2.gz AXJFYJZCKDBZSX-LEWJYISDSA-N 1 0 442.007 3.812 20 0 IHADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1C ZINC001164823366 720327595 /nfs/dbraw/zinc/32/75/95/720327595.db2.gz AXJFYJZCKDBZSX-NHCUHLMSSA-N 1 0 442.007 3.812 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(OCc3ccccc3)n2)CC1 ZINC001164832459 720330864 /nfs/dbraw/zinc/33/08/64/720330864.db2.gz TYXKORWDBFPRIY-GOTSBHOMSA-N 1 0 434.584 3.572 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164822764 720343344 /nfs/dbraw/zinc/34/33/44/720343344.db2.gz FEQWYCYYPMZANY-RPWUZVMVSA-N 1 0 433.600 3.672 20 0 IHADRO CC(C)c1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)(C)C)n1 ZINC001164823471 720345768 /nfs/dbraw/zinc/34/57/68/720345768.db2.gz GHNDGLOIWIUGBM-NHCUHLMSSA-N 1 0 427.637 3.809 20 0 IHADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2n1 ZINC001164725229 720356022 /nfs/dbraw/zinc/35/60/22/720356022.db2.gz MSHGLBFQCUYKJQ-RYUDHWBXSA-N 1 0 436.734 3.628 20 0 IHADRO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164723863 720365666 /nfs/dbraw/zinc/36/56/66/720365666.db2.gz HTGXYZLKCPEWJR-ROUUACIJSA-N 1 0 425.920 3.549 20 0 IHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725470 720393169 /nfs/dbraw/zinc/39/31/69/720393169.db2.gz NOLJDHQGSKKBAK-XZOQPEGZSA-N 1 0 428.515 3.867 20 0 IHADRO Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164726369 720495426 /nfs/dbraw/zinc/49/54/26/720495426.db2.gz LMPNLYGSCYVYFY-OFVILXPXSA-N 1 0 440.563 3.541 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)nc1 ZINC001164832936 720502935 /nfs/dbraw/zinc/50/29/35/720502935.db2.gz CAHPQSYBBKNXHW-MOUTVQLLSA-N 1 0 440.632 3.872 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833991 720511313 /nfs/dbraw/zinc/51/13/13/720511313.db2.gz DZMBPEZTBLSFNP-SOUVJXGZSA-N 1 0 445.345 3.903 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)C1 ZINC001164732202 720518806 /nfs/dbraw/zinc/51/88/06/720518806.db2.gz ZVTDFFPITCYZQH-OAHLLOKOSA-N 1 0 432.906 3.736 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)Oc3ccc(Cl)nc3)CC[C@@H]21 ZINC001164833300 720525068 /nfs/dbraw/zinc/52/50/68/720525068.db2.gz CZVFVLFBBWXSDK-RYRKJORJSA-N 1 0 425.911 3.734 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)C1 ZINC001164734857 720530257 /nfs/dbraw/zinc/53/02/57/720530257.db2.gz SFHNJBZMCXOQLD-HNNXBMFYSA-N 1 0 432.906 3.736 20 0 IHADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164835389 720532151 /nfs/dbraw/zinc/53/21/51/720532151.db2.gz HAPNHHKFEMPVNJ-MQSCRBSSSA-N 1 0 433.556 3.596 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3cc(OCc4ccccc4)ccc32)C1 ZINC001164735870 720532336 /nfs/dbraw/zinc/53/23/36/720532336.db2.gz SRMCCVRHKWUJFN-HXUWFJFHSA-N 1 0 428.540 3.603 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840668 720542213 /nfs/dbraw/zinc/54/22/13/720542213.db2.gz SMMBVVNLOZTVIK-YQVWRLOYSA-N 1 0 440.979 3.866 20 0 IHADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164733596 720543793 /nfs/dbraw/zinc/54/37/93/720543793.db2.gz CYUCQINBWHCVQT-HNNXBMFYSA-N 1 0 443.970 3.791 20 0 IHADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164733730 720547737 /nfs/dbraw/zinc/54/77/37/720547737.db2.gz QOIZDVJYSNPKTD-HNNXBMFYSA-N 1 0 446.926 3.888 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837377 720548230 /nfs/dbraw/zinc/54/82/30/720548230.db2.gz MCTHPDALFLYFRA-CBGDNZLLSA-N 1 0 440.979 3.866 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)COc3cccc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839143 720567138 /nfs/dbraw/zinc/56/71/38/720567138.db2.gz PPOHMWNFQKBIKE-OKZBNKHCSA-N 1 0 439.938 3.777 20 0 IHADRO CSc1ccc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1Cl ZINC001164728135 720570245 /nfs/dbraw/zinc/57/02/45/720570245.db2.gz KDBPZWFMCTVBGC-UHFFFAOYSA-N 1 0 427.952 3.857 20 0 IHADRO CSc1ccc(Oc2cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ncn2)cc1 ZINC001164736883 720576419 /nfs/dbraw/zinc/57/64/19/720576419.db2.gz UZDIJAWKBPYIJG-UHFFFAOYSA-N 1 0 436.585 3.846 20 0 IHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736080 720580080 /nfs/dbraw/zinc/58/00/80/720580080.db2.gz AQKGWXMZTLCKAB-HXUWFJFHSA-N 1 0 445.615 3.864 20 0 IHADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C ZINC001164837711 720625382 /nfs/dbraw/zinc/62/53/82/720625382.db2.gz ILNMUWMFEUWWIM-FUPPJEDESA-N 1 0 431.588 3.730 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(F)ccc4c(Cl)ncnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842618 720646914 /nfs/dbraw/zinc/64/69/14/720646914.db2.gz SOUZZQGYRQKXIT-TXPKVOOTSA-N 1 0 428.943 3.997 20 0 IHADRO Cc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164738410 720676495 /nfs/dbraw/zinc/67/64/95/720676495.db2.gz JJGDQOGHPZGNAO-MOPGFXCFSA-N 1 0 444.564 3.799 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(=O)N3CCCC3)ccn1)CC2 ZINC001164840402 720703823 /nfs/dbraw/zinc/70/38/23/720703823.db2.gz QMYWMWSYFJEQQM-QHCPKHFHSA-N 1 0 434.584 3.578 20 0 IHADRO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840274 720705867 /nfs/dbraw/zinc/70/58/67/720705867.db2.gz OJYLJFSOLDCRMR-JJNABOQBSA-N 1 0 435.568 3.836 20 0 IHADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741808 720728348 /nfs/dbraw/zinc/72/83/48/720728348.db2.gz NBNGMRZMLYAGCX-KBPBESRZSA-N 1 0 446.338 3.682 20 0 IHADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838627 720738953 /nfs/dbraw/zinc/73/89/53/720738953.db2.gz UESDHRSPKKJDFP-UHFFFAOYSA-N 1 0 431.318 3.663 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164745533 720809274 /nfs/dbraw/zinc/80/92/74/720809274.db2.gz KTEGHODLBHDHKW-QWFCFKBJSA-N 1 0 437.617 3.786 20 0 IHADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164741278 720832236 /nfs/dbraw/zinc/83/22/36/720832236.db2.gz DWLPURATVGOJAE-UNWVZKJWSA-N 1 0 446.603 3.517 20 0 IHADRO Cc1ccc(F)c2cc(C)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164744679 720836733 /nfs/dbraw/zinc/83/67/33/720836733.db2.gz LCMQOBBBORYDNF-ZRCGQRJVSA-N 1 0 434.563 3.962 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741821 720836831 /nfs/dbraw/zinc/83/68/31/720836831.db2.gz FPNDCYCICYVISK-SFHLNBCPSA-N 1 0 443.555 3.655 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)CC[C@H]2C1 ZINC001164853760 720845697 /nfs/dbraw/zinc/84/56/97/720845697.db2.gz PEDPFPHKWHVOLU-SJCJKPOMSA-N 1 0 445.778 3.764 20 0 IHADRO CC(C)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164751909 720852347 /nfs/dbraw/zinc/85/23/47/720852347.db2.gz RONWGOLZDLUDCK-KCZVDYSFSA-N 1 0 437.636 3.868 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(C)cc4)nc4ccccc43)CC[C@@H]2C1 ZINC001164856772 720864425 /nfs/dbraw/zinc/86/44/25/720864425.db2.gz PETMABGMVVSEED-ZJSXRUAMSA-N 1 0 432.568 3.779 20 0 IHADRO Cc1nc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cs1 ZINC001164751996 720865803 /nfs/dbraw/zinc/86/58/03/720865803.db2.gz SCVOSIVDAUMBLO-KRWDZBQOSA-N 1 0 426.920 3.999 20 0 IHADRO CSc1nc(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750453 720868898 /nfs/dbraw/zinc/86/88/98/720868898.db2.gz JCWNZCJVSBUCHI-XUZZJYLKSA-N 1 0 439.629 3.657 20 0 IHADRO c1cc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164754947 720871165 /nfs/dbraw/zinc/87/11/65/720871165.db2.gz UUUILQFODVAOFY-HYBUGGRVSA-N 1 0 435.597 3.841 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC[C@H]2C1 ZINC001164857537 720873553 /nfs/dbraw/zinc/87/35/53/720873553.db2.gz JVUUDHIAQMOSRN-PXNSSMCTSA-N 1 0 442.560 3.671 20 0 IHADRO COc1cc(Cl)ncc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758211 720882779 /nfs/dbraw/zinc/88/27/79/720882779.db2.gz XVIGREDGBPSYOX-GBXCKJPGSA-N 1 0 442.991 3.894 20 0 IHADRO Cc1nc(C)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)n1 ZINC001164749480 720885537 /nfs/dbraw/zinc/88/55/37/720885537.db2.gz ACJDCWOARVBPSI-ZJSXRUAMSA-N 1 0 442.007 3.897 20 0 IHADRO Fc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749909 720886204 /nfs/dbraw/zinc/88/62/04/720886204.db2.gz AWFKITNKFAOALG-QFQXNSOFSA-N 1 0 447.558 3.919 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@H]2C1 ZINC001164855760 720892672 /nfs/dbraw/zinc/89/26/72/720892672.db2.gz CAMIQNXIOUIIIG-KXBFYZLASA-N 1 0 441.906 3.713 20 0 IHADRO Cc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755994 720892698 /nfs/dbraw/zinc/89/26/98/720892698.db2.gz NYJPVVRVSAANHH-OFNKIYASSA-N 1 0 427.980 3.589 20 0 IHADRO COc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755380 720893842 /nfs/dbraw/zinc/89/38/42/720893842.db2.gz LRAMFAFSYZNHRH-HYBUGGRVSA-N 1 0 442.991 3.894 20 0 IHADRO Fc1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164752796 720899581 /nfs/dbraw/zinc/89/95/81/720899581.db2.gz FZUAUDVAWHFXEW-NVQXNPDNSA-N 1 0 447.558 3.919 20 0 IHADRO Fc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2[nH]ccc21 ZINC001164757885 720902312 /nfs/dbraw/zinc/90/23/12/720902312.db2.gz WBLNTHIFIPQLDF-NBGIEHNGSA-N 1 0 435.547 3.852 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc(C4CCC4)ncn2)C3)c1 ZINC001164747429 720927658 /nfs/dbraw/zinc/92/76/58/720927658.db2.gz DEDJWTKZLUPZLV-OZXSUGGESA-N 1 0 433.600 3.894 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cnc4c(n2)CCCC4)C3)c1 ZINC001164754690 720929911 /nfs/dbraw/zinc/92/99/11/720929911.db2.gz XJEVLDSKJDGQRU-BKMJKUGQSA-N 1 0 433.600 3.506 20 0 IHADRO CCc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752646 720930418 /nfs/dbraw/zinc/93/04/18/720930418.db2.gz OHVSZJWXFCZVJJ-GBXCKJPGSA-N 1 0 442.007 3.843 20 0 IHADRO COC(=O)C[C@@H](c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1)C1CC1 ZINC001164861875 720997271 /nfs/dbraw/zinc/99/72/71/720997271.db2.gz RADBPVQSCAXRKY-DYESRHJHSA-N 1 0 425.577 3.756 20 0 IHADRO COC(=O)c1cc2cnc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)nc2n1C ZINC001164758912 721045494 /nfs/dbraw/zinc/04/54/94/721045494.db2.gz FFYQOGROZLLSEJ-UHFFFAOYSA-N 1 0 447.583 3.946 20 0 IHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccnc(-n5ccccc5=O)n4)CC3)CC2)cc1 ZINC001164759826 721045906 /nfs/dbraw/zinc/04/59/06/721045906.db2.gz QTCDHTORSMFOIR-UHFFFAOYSA-N 1 0 429.568 3.819 20 0 IHADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869513 721048766 /nfs/dbraw/zinc/04/87/66/721048766.db2.gz UCBPQLLVJYURTB-CVEARBPZSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866546 721050722 /nfs/dbraw/zinc/05/07/22/721050722.db2.gz FGPHIZYMORHUQC-CABCVRRESA-N 1 0 429.298 3.808 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867264 721105326 /nfs/dbraw/zinc/10/53/26/721105326.db2.gz XOEVOSDDPZSUMR-QZTJIDSGSA-N 1 0 444.963 3.565 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867265 721107522 /nfs/dbraw/zinc/10/75/22/721107522.db2.gz XOEVOSDDPZSUMR-ROUUACIJSA-N 1 0 444.963 3.565 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164773244 721109885 /nfs/dbraw/zinc/10/98/85/721109885.db2.gz XKBMJHAHQNAHBD-HZPDHXFCSA-N 1 0 432.906 3.520 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C[C@H]3C2)cn1 ZINC001164771337 721118040 /nfs/dbraw/zinc/11/80/40/721118040.db2.gz SDYHCVZFHYYJNJ-JKSUJKDBSA-N 1 0 432.906 3.520 20 0 IHADRO CCc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C2)n1)CCC3 ZINC001164879143 721138831 /nfs/dbraw/zinc/13/88/31/721138831.db2.gz RZASCSHSIVORCG-MSOLQXFVSA-N 1 0 435.597 3.617 20 0 IHADRO c1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)nc1 ZINC001164879578 721142723 /nfs/dbraw/zinc/14/27/23/721142723.db2.gz UBGCVXZTNDALDE-NHCUHLMSSA-N 1 0 438.535 3.567 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164774005 721159242 /nfs/dbraw/zinc/15/92/42/721159242.db2.gz ZSDOAFGQAYPSEH-DLBZAZTESA-N 1 0 432.906 3.520 20 0 IHADRO c1cc2c(nc(-c3ccccn3)nc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164880451 721173765 /nfs/dbraw/zinc/17/37/65/721173765.db2.gz WSOJUFRVSNBWMN-OALUTQOASA-N 1 0 444.564 3.628 20 0 IHADRO Clc1cccc2nc(Cl)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc12 ZINC001164872183 721177928 /nfs/dbraw/zinc/17/79/28/721177928.db2.gz GUNFASILDKOWSM-CVEARBPZSA-N 1 0 430.339 3.811 20 0 IHADRO c1ccc(SCc2nccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164870972 721183382 /nfs/dbraw/zinc/18/33/82/721183382.db2.gz CTYWMZFSHKBOOD-LEWJYISDSA-N 1 0 433.581 3.644 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccoc43)C2)C1 ZINC001164787008 721359112 /nfs/dbraw/zinc/35/91/12/721359112.db2.gz WVEGGUJTZCZXNE-OAQYLSRUSA-N 1 0 431.924 3.600 20 0 IHADRO COc1ccc2ccnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164784271 721360204 /nfs/dbraw/zinc/36/02/04/721360204.db2.gz RDFWWJKZHLBBSV-RUZDIDTESA-N 1 0 436.556 3.967 20 0 IHADRO Cc1cc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2s1 ZINC001164785236 721361916 /nfs/dbraw/zinc/36/19/16/721361916.db2.gz SQYPESLVKQKSPW-QFIPXVFZSA-N 1 0 427.574 3.724 20 0 IHADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3ccn4C(C)C)C2)C1 ZINC001164785012 721363466 /nfs/dbraw/zinc/36/34/66/721363466.db2.gz RUQAFIHYDXKCSP-DEOSSOPVSA-N 1 0 438.576 3.736 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164893580 721387196 /nfs/dbraw/zinc/38/71/96/721387196.db2.gz VJVHVNRLKNDMHR-QFBILLFUSA-N 1 0 449.373 3.699 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164887767 721423509 /nfs/dbraw/zinc/42/35/09/721423509.db2.gz NJHOYRVDAZAWDX-YKSBVNFPSA-N 1 0 445.007 3.662 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)nc4-c4ccccc4)C3)O2)CC1 ZINC001164895428 721440176 /nfs/dbraw/zinc/44/01/76/721440176.db2.gz PADNOPHSWQWJFT-GBXCKJPGSA-N 1 0 442.007 3.562 20 0 IHADRO CC(C)c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895758 721441092 /nfs/dbraw/zinc/44/10/92/721441092.db2.gz PGPYQYHZGMLIEI-NBGIEHNGSA-N 1 0 429.653 3.663 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164788572 721453101 /nfs/dbraw/zinc/45/31/01/721453101.db2.gz RLTBOGWIGCISRS-QHCPKHFHSA-N 1 0 436.600 3.878 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164785148 721455233 /nfs/dbraw/zinc/45/52/33/721455233.db2.gz GUHFKGGHCKUSGJ-NRFANRHFSA-N 1 0 442.579 3.811 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164789274 721459477 /nfs/dbraw/zinc/45/94/77/721459477.db2.gz WHRPSQABVOSFSE-KRWDZBQOSA-N 1 0 441.041 3.586 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1SC)CC2 ZINC001164789851 721461047 /nfs/dbraw/zinc/46/10/47/721461047.db2.gz XSAJEQKXDZIJOR-KRWDZBQOSA-N 1 0 441.041 3.586 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1 ZINC001164793849 721475524 /nfs/dbraw/zinc/47/55/24/721475524.db2.gz YSWJHRGEORGJQD-JOCHJYFZSA-N 1 0 432.576 3.637 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)nc1 ZINC001164793632 721488335 /nfs/dbraw/zinc/48/83/35/721488335.db2.gz UZTAKZRBJAEWQF-LEEZEASISA-N 1 0 426.536 3.694 20 0 IHADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164901222 721495537 /nfs/dbraw/zinc/49/55/37/721495537.db2.gz UPYPTLXHXOXBNI-BPQIPLTHSA-N 1 0 444.008 3.688 20 0 IHADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795275 721503689 /nfs/dbraw/zinc/50/36/89/721503689.db2.gz JFYLFSKAFIEPHA-INIZCTEOSA-N 1 0 443.979 3.683 20 0 IHADRO COc1cc(C(F)(F)N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(Cl)n1 ZINC001164796322 721503976 /nfs/dbraw/zinc/50/39/76/721503976.db2.gz RTSLPAIUTJLIMX-UHFFFAOYSA-N 1 0 437.922 3.960 20 0 IHADRO COc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899037 721508483 /nfs/dbraw/zinc/50/84/83/721508483.db2.gz JRVVMWWSLODNIS-MAUKXSAKSA-N 1 0 428.895 3.773 20 0 IHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4cc(Cl)ccc42)CC3)CC1 ZINC001164794803 721511750 /nfs/dbraw/zinc/51/17/50/721511750.db2.gz WOGSJRCYIWNXBL-UHFFFAOYSA-N 1 0 431.371 3.506 20 0 IHADRO CN(C)c1ccc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905822 721547652 /nfs/dbraw/zinc/54/76/52/721547652.db2.gz IPJQQQMTVUBOOV-GGAORHGYSA-N 1 0 433.531 3.691 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CC[N@@H+]3C2)c1 ZINC001164911525 721551558 /nfs/dbraw/zinc/55/15/58/721551558.db2.gz ZHCVTQHUSBKLJY-HIFRSBDPSA-N 1 0 434.302 3.813 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800979 721569802 /nfs/dbraw/zinc/56/98/02/721569802.db2.gz GBXUNSRXTSGWPY-PLXFJCCSSA-N 1 0 430.552 3.924 20 0 IHADRO CC(C)c1noc(-c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2)n1 ZINC001164805150 721584877 /nfs/dbraw/zinc/58/48/77/721584877.db2.gz KTRBBUDFOCYVNW-JAXLGGSGSA-N 1 0 434.544 3.518 20 0 IHADRO FC1(F)CCN(c2nnc(Cl)c3ccncc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908434 721586921 /nfs/dbraw/zinc/58/69/21/721586921.db2.gz ZFHZEHDDWSFSRC-FQEVSTJZSA-N 1 0 430.890 3.811 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164801123 721589162 /nfs/dbraw/zinc/58/91/62/721589162.db2.gz DRYCUHBKOJHUBW-HSALFYBXSA-N 1 0 427.980 3.969 20 0 IHADRO FC1(F)CCN(c2ncnc3nc(Cl)ccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904936 721691988 /nfs/dbraw/zinc/69/19/88/721691988.db2.gz HTCBVXOUXYZXTL-HXUWFJFHSA-N 1 0 430.890 3.811 20 0 IHADRO F[C@@H](Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904943 721696010 /nfs/dbraw/zinc/69/60/10/721696010.db2.gz ICKSSZKHBKOEJT-MOPGFXCFSA-N 1 0 426.870 3.995 20 0 IHADRO Fc1ncccc1-c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905563 721715393 /nfs/dbraw/zinc/71/53/93/721715393.db2.gz HONZFPJWUDDPRB-JOCHJYFZSA-N 1 0 440.473 3.810 20 0 IHADRO C=Cc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164907776 721722288 /nfs/dbraw/zinc/72/22/88/721722288.db2.gz UAKQJAYAJATMRN-HXUWFJFHSA-N 1 0 435.906 3.914 20 0 IHADRO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccncc2)n1 ZINC001164908083 721723645 /nfs/dbraw/zinc/72/36/45/721723645.db2.gz VHHFDBWETXPXHJ-QHCPKHFHSA-N 1 0 436.510 3.980 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3cccc4ccccc43)nn2)CC1 ZINC001165013326 721747078 /nfs/dbraw/zinc/74/70/78/721747078.db2.gz XXKAXUWQUJSBEE-UHFFFAOYSA-N 1 0 429.568 3.820 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@H]21 ZINC001165019512 721801767 /nfs/dbraw/zinc/80/17/67/721801767.db2.gz CMCLSZMMPVHDCB-ZTFGCOKTSA-N 1 0 449.933 3.511 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cc5c(cc43)OCCO5)C[C@H]21 ZINC001165019529 721804807 /nfs/dbraw/zinc/80/48/07/721804807.db2.gz CRLXXKUPBFSHKN-NQSCKRDGSA-N 1 0 431.540 3.533 20 0 IHADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@]5(C[C@@H](Oc6cccnc6)CO5)C4)ccc3C2)cc1 ZINC001164915037 721805552 /nfs/dbraw/zinc/80/55/52/721805552.db2.gz HGCNZMGQMXYWAA-SHQCIBLASA-N 1 0 442.563 3.852 20 0 IHADRO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024254 721811669 /nfs/dbraw/zinc/81/16/69/721811669.db2.gz KDDCSOWOZAMWFT-AJSBUHFISA-N 1 0 445.567 3.938 20 0 IHADRO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165027127 721812455 /nfs/dbraw/zinc/81/24/55/721812455.db2.gz SJPPZPLNJQGLMK-NGYIFUPDSA-N 1 0 445.567 3.938 20 0 IHADRO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027396 721816660 /nfs/dbraw/zinc/81/66/60/721816660.db2.gz UQUQWPDQRPLVEW-MDNUFGMLSA-N 1 0 443.599 3.737 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nnc(Cl)c3cccnc32)CC1 ZINC001165020291 721841177 /nfs/dbraw/zinc/84/11/77/721841177.db2.gz BVJNDUMFTATXKP-UHFFFAOYSA-N 1 0 427.936 3.796 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164921055 721866714 /nfs/dbraw/zinc/86/67/14/721866714.db2.gz CDFCGYUFEYNYIN-JKSUJKDBSA-N 1 0 430.330 3.696 20 0 IHADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929202 721877990 /nfs/dbraw/zinc/87/79/90/721877990.db2.gz AMEQEHKKJYYVLV-VQTJNVASSA-N 1 0 448.640 3.847 20 0 IHADRO C[NH+](C)[C@@H]1CCCN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)C1 ZINC001165038982 721892913 /nfs/dbraw/zinc/89/29/13/721892913.db2.gz KWFIUIAULDPPFL-IIBYNOLFSA-N 1 0 438.378 3.948 20 0 IHADRO c1cncc(-c2nc3sc4c(c3c(N3CC[NH+](C[C@H]5CCCO5)CC3)n2)CCCC4)c1 ZINC000015130018 721917028 /nfs/dbraw/zinc/91/70/28/721917028.db2.gz DYFYZROJVVVLRT-GOSISDBHSA-N 1 0 435.597 3.933 20 0 IHADRO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939273 721922319 /nfs/dbraw/zinc/92/23/19/721922319.db2.gz UCBYDGGIECLRQJ-UHFFFAOYSA-N 1 0 429.948 3.701 20 0 IHADRO COc1cc(OC)c2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164944749 721933663 /nfs/dbraw/zinc/93/36/63/721933663.db2.gz UEMOHWBYPWEUJP-UHFFFAOYSA-N 1 0 448.567 3.827 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC001165052519 721999705 /nfs/dbraw/zinc/99/97/05/721999705.db2.gz SPJRJBALOXGINW-OAHLLOKOSA-N 1 0 426.512 3.825 20 0 IHADRO CN(C)c1cc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(Cl)n1 ZINC001164959852 722023928 /nfs/dbraw/zinc/02/39/28/722023928.db2.gz JCLHUDRJVTXXOY-UHFFFAOYSA-N 1 0 436.938 3.628 20 0 IHADRO Cc1ccc(N2C[C@@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)CC2=O)s1 ZINC001164961127 722044158 /nfs/dbraw/zinc/04/41/58/722044158.db2.gz MKDWBWDVNFENNT-QHCPKHFHSA-N 1 0 426.586 3.560 20 0 IHADRO Fc1cccc(Oc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)c1 ZINC001164960016 722058809 /nfs/dbraw/zinc/05/88/09/722058809.db2.gz CTIZQFNGLREBPY-UHFFFAOYSA-N 1 0 449.530 3.922 20 0 IHADRO CC(C)(C)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963273 722058886 /nfs/dbraw/zinc/05/88/86/722058886.db2.gz VEXKPYAQLFNWES-UHFFFAOYSA-N 1 0 429.996 3.942 20 0 IHADRO Cc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164960708 722059895 /nfs/dbraw/zinc/05/98/95/722059895.db2.gz INJDCDYELGCUAU-UHFFFAOYSA-N 1 0 429.568 3.966 20 0 IHADRO Fc1ccc(-c2cncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164964387 722062070 /nfs/dbraw/zinc/06/20/70/722062070.db2.gz GCIWVQGMAUEVFJ-UHFFFAOYSA-N 1 0 433.531 3.797 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCN3C(=O)c2cscn2)nc1 ZINC001164966515 722065654 /nfs/dbraw/zinc/06/56/54/722065654.db2.gz VNJRFZVFENHACU-HKBOAZHASA-N 1 0 425.602 3.969 20 0 IHADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)cc1 ZINC001164966835 722070141 /nfs/dbraw/zinc/07/01/41/722070141.db2.gz FJLAVCGTUVHEJZ-OYRHEFFESA-N 1 0 434.515 3.744 20 0 IHADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164967493 722075649 /nfs/dbraw/zinc/07/56/49/722075649.db2.gz RVMCXQJWCQDSQI-BGYRXZFFSA-N 1 0 441.645 3.593 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1 ZINC001164974164 722090879 /nfs/dbraw/zinc/09/08/79/722090879.db2.gz NKPMCRMDUOPVED-BAGYTPMASA-N 1 0 440.613 3.628 20 0 IHADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982713 722118231 /nfs/dbraw/zinc/11/82/31/722118231.db2.gz XTXKIHDWTCDHAA-VQIMIIECSA-N 1 0 447.917 3.884 20 0 IHADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971375 722122721 /nfs/dbraw/zinc/12/27/21/722122721.db2.gz BQBRTTLUMMOFOF-NZQKXSOJSA-N 1 0 432.572 3.669 20 0 IHADRO Fc1cccc(Oc2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164985028 722131760 /nfs/dbraw/zinc/13/17/60/722131760.db2.gz YWWPWBLIUZNSSK-UGKGYDQZSA-N 1 0 435.503 3.530 20 0 IHADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982202 722135771 /nfs/dbraw/zinc/13/57/71/722135771.db2.gz RIMKNBJCUFJTFL-UZLBHIALSA-N 1 0 427.911 3.545 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(Cl)c3ccc(Cl)cc31)CCC2 ZINC001165003422 722257477 /nfs/dbraw/zinc/25/74/77/722257477.db2.gz CJRCJYUFPKHHFR-UHFFFAOYSA-N 1 0 435.359 3.622 20 0 IHADRO COC(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1Cl ZINC001171949225 1126148578 /nfs/dbraw/zinc/14/85/78/1126148578.db2.gz NFHFAHQUJYNIGU-FQEVSTJZSA-N 1 0 438.749 3.899 20 0 IHADRO COc1cccc(-c2nnc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)o2)c1 ZINC001460420482 1126190949 /nfs/dbraw/zinc/19/09/49/1126190949.db2.gz CBUVZLXTRFLZHX-NRFANRHFSA-N 1 0 444.329 3.517 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001474226559 1126203202 /nfs/dbraw/zinc/20/32/02/1126203202.db2.gz HGVBBLHPRVTCAP-IBGZPJMESA-N 1 0 426.738 3.957 20 0 IHADRO CC(C)n1ncc2cc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cnc21 ZINC001559996689 1126207053 /nfs/dbraw/zinc/20/70/53/1126207053.db2.gz DIVXFMPQWTVGJO-OAQYLSRUSA-N 1 0 429.362 3.784 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)cc1OC ZINC001621057871 1126245710 /nfs/dbraw/zinc/24/57/10/1126245710.db2.gz WJKQVEDXWPLSSL-QHCPKHFHSA-N 1 0 431.533 3.529 20 0 IHADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1 ZINC000015918945 563018332 /nfs/dbraw/zinc/01/83/32/563018332.db2.gz UPBKBLURRINSMO-QFIPXVFZSA-N 1 0 441.528 3.659 20 0 IHADRO [NH3+]CC1(F)CCN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)CC1 ZINC001164393149 718812948 /nfs/dbraw/zinc/81/29/48/718812948.db2.gz QUKWKLFGKRZSDV-HXUWFJFHSA-N 1 0 442.341 3.684 20 0 IHADRO c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c12 ZINC001164401861 718839861 /nfs/dbraw/zinc/83/98/61/718839861.db2.gz BXAYOIAFABKVEY-IBGZPJMESA-N 1 0 428.565 3.514 20 0 IHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164413957 718880540 /nfs/dbraw/zinc/88/05/40/718880540.db2.gz PAQLNEFEYNRTDP-LBPRGKRZSA-N 1 0 427.801 3.720 20 0 IHADRO Fc1ccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)cnc2Cl)cc1 ZINC001164416359 718885607 /nfs/dbraw/zinc/88/56/07/718885607.db2.gz VQQSPYSKZIQFBT-UHFFFAOYSA-N 1 0 448.880 3.776 20 0 IHADRO Brc1cccc2c([C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)ncn21 ZINC001164417500 718890518 /nfs/dbraw/zinc/89/05/18/718890518.db2.gz LBACNDYNOWLOGG-SFHVURJKSA-N 1 0 442.361 3.666 20 0 IHADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164422795 718919797 /nfs/dbraw/zinc/91/97/97/718919797.db2.gz BAEGXPJVFQSRNX-SFHVURJKSA-N 1 0 429.920 3.594 20 0 IHADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001164446941 718997844 /nfs/dbraw/zinc/99/78/44/718997844.db2.gz ACNVUAATYQIPNS-HUUCEWRRSA-N 1 0 443.281 3.626 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1C)C2 ZINC001164620926 719008749 /nfs/dbraw/zinc/00/87/49/719008749.db2.gz ZTCAAWJNXUYOLR-JXFKEZNVSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1C)C2 ZINC001164620928 719008758 /nfs/dbraw/zinc/00/87/58/719008758.db2.gz ZTCAAWJNXUYOLR-OXJNMPFZSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164617838 719008876 /nfs/dbraw/zinc/00/88/76/719008876.db2.gz QEOAPFVUYRSZRT-BEFAXECRSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)ccc1C)C2 ZINC001164619286 719009278 /nfs/dbraw/zinc/00/92/78/719009278.db2.gz VKFFSIWVJVBAAP-YWZLYKJASA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164620332 719014164 /nfs/dbraw/zinc/01/41/64/719014164.db2.gz YHYNJHGWWPSDKL-HNHYXYPQSA-N 1 0 430.282 3.816 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164619260 719018023 /nfs/dbraw/zinc/01/80/23/719018023.db2.gz VAUCLPQJPWNBPC-DOPJRALCSA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)CC1 ZINC001164618638 719032432 /nfs/dbraw/zinc/03/24/32/719032432.db2.gz WXGUNLITGNGHOW-UHFFFAOYSA-N 1 0 428.508 3.652 20 0 IHADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164625283 719048327 /nfs/dbraw/zinc/04/83/27/719048327.db2.gz PDWDXWCDNUUGJB-XPGWFJOJSA-N 1 0 426.870 3.519 20 0 IHADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC001164624962 719094127 /nfs/dbraw/zinc/09/41/27/719094127.db2.gz FSPIRSBULLWRIF-PKOBYXMFSA-N 1 0 425.964 3.595 20 0 IHADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC001164624951 719094566 /nfs/dbraw/zinc/09/45/66/719094566.db2.gz FSPIRSBULLWRIF-HKUYNNGSSA-N 1 0 425.964 3.595 20 0 IHADRO [NH3+]C1([C@H]2CN(C(F)(F)Oc3cccc(COc4cncc(Cl)n4)c3)C[C@@H]2CF)CC1 ZINC001164619217 719124818 /nfs/dbraw/zinc/12/48/18/719124818.db2.gz DDQDNYVHHIFSLH-HOCLYGCPSA-N 1 0 442.869 3.647 20 0 IHADRO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)c2ccccc21 ZINC001164635291 719140040 /nfs/dbraw/zinc/14/00/40/719140040.db2.gz WVXMRQBRUCHIGS-HSZRJFAPSA-N 1 0 436.600 3.621 20 0 IHADRO C[C@@H]1CN(c2ccc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)[C@@H](C)C[N@@H+]1C ZINC001164631036 719163677 /nfs/dbraw/zinc/16/36/77/719163677.db2.gz ADBJWIOTNRSGTE-SJORKVTESA-N 1 0 431.519 3.556 20 0 IHADRO C[C@@H]1CN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)[C@@H](C)C[N@@H+]1C ZINC000508368881 719236589 /nfs/dbraw/zinc/23/65/89/719236589.db2.gz CXZLZKHPHILPGH-MSOLQXFVSA-N 1 0 437.613 3.719 20 0 IHADRO c1sc([C@@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3O2)nc1C1CC1 ZINC001164649329 719289566 /nfs/dbraw/zinc/28/95/66/719289566.db2.gz WFFIPOGLERKALF-YSIASYRMSA-N 1 0 426.586 3.857 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)CC3CC3)C2)nc1 ZINC001164654661 719326562 /nfs/dbraw/zinc/32/65/62/719326562.db2.gz MNQCIVGRCCCSSL-OHTANWTRSA-N 1 0 440.632 3.919 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@H]21 ZINC001164675066 719436789 /nfs/dbraw/zinc/43/67/89/719436789.db2.gz YLCWVFPHUKVAHW-FGZHOGPDSA-N 1 0 429.499 3.746 20 0 IHADRO Cc1nc(CN2C(=O)CCC23CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)cs1 ZINC001164687138 719594624 /nfs/dbraw/zinc/59/46/24/719594624.db2.gz RJMVGHHHDYKUET-UHFFFAOYSA-N 1 0 425.602 3.604 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc1 ZINC001164684795 719599951 /nfs/dbraw/zinc/59/99/51/719599951.db2.gz JYVSMKBEKVUNJA-OFNKIYASSA-N 1 0 432.572 3.940 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4ccccc4n3)CC2)c2ccccc21 ZINC001164680973 719658844 /nfs/dbraw/zinc/65/88/44/719658844.db2.gz KKKXYTRVBYLYLM-FQEVSTJZSA-N 1 0 443.595 3.723 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nncc4ccccc43)CC2)c2ccccc21 ZINC001164681370 719662525 /nfs/dbraw/zinc/66/25/25/719662525.db2.gz MOBZUHWHCLXHQQ-OAQYLSRUSA-N 1 0 443.595 3.723 20 0 IHADRO CC(C)c1cncnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682903 719668430 /nfs/dbraw/zinc/66/84/30/719668430.db2.gz PZRFKTYONIAHPL-HXUWFJFHSA-N 1 0 435.616 3.693 20 0 IHADRO CC(C)c1nccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685630 719670131 /nfs/dbraw/zinc/67/01/31/719670131.db2.gz VOOBXLJYKLHNMD-FQEVSTJZSA-N 1 0 435.616 3.693 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C(C)(C)C)nn3)CC2)c2ccccc21 ZINC001164681089 719677288 /nfs/dbraw/zinc/67/72/88/719677288.db2.gz JLFCJORKKLSDSR-FQEVSTJZSA-N 1 0 449.643 3.868 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(C)cc3)nc3ccccc31)CC2 ZINC001164684723 719728289 /nfs/dbraw/zinc/72/82/89/719728289.db2.gz JXVYFKBBPYUCNU-UHFFFAOYSA-N 1 0 429.568 3.786 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)CC2 ZINC001164690220 719743276 /nfs/dbraw/zinc/74/32/76/719743276.db2.gz VPMXBZOMHNEEEL-UHFFFAOYSA-N 1 0 433.531 3.617 20 0 IHADRO CCOC(=O)c1cnc(SC)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692784 719803132 /nfs/dbraw/zinc/80/31/32/719803132.db2.gz PDSLAIHFDKCLTL-UHFFFAOYSA-N 1 0 447.630 3.775 20 0 IHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(C(=O)OC(C)(C)C)n2)CC3)cs1 ZINC001164694486 719810107 /nfs/dbraw/zinc/81/01/07/719810107.db2.gz YVEMMXFKVPNITD-UHFFFAOYSA-N 1 0 429.590 3.832 20 0 IHADRO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692656 719812102 /nfs/dbraw/zinc/81/21/02/719812102.db2.gz QUAUAPQUVNOZLV-AATRIKPKSA-N 1 0 426.586 3.976 20 0 IHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)NC4CCCC4)nn2)CC3)cs1 ZINC001164693432 719815448 /nfs/dbraw/zinc/81/54/48/719815448.db2.gz UZUCWIRLHVKOKF-UHFFFAOYSA-N 1 0 440.617 3.549 20 0 IHADRO COc1cc2ncc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2cc1OC ZINC001164696132 719891532 /nfs/dbraw/zinc/89/15/32/719891532.db2.gz YVCCSZHKZXQOSY-UHFFFAOYSA-N 1 0 440.569 3.580 20 0 IHADRO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164699043 719895500 /nfs/dbraw/zinc/89/55/00/719895500.db2.gz WBKLOGWXXYCYCE-SOFGYWHQSA-N 1 0 427.570 3.591 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164714943 720107561 /nfs/dbraw/zinc/10/75/61/720107561.db2.gz FXEZXXQYGVPJCG-NRFANRHFSA-N 1 0 435.547 3.980 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164713987 720134694 /nfs/dbraw/zinc/13/46/94/720134694.db2.gz USDYAHUGCHDWNE-KRWDZBQOSA-N 1 0 426.952 3.514 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cnc1SC)CC2 ZINC001164714366 720137333 /nfs/dbraw/zinc/13/73/33/720137333.db2.gz WOZBNQQSCPFUSV-KRWDZBQOSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccco3)n1)CC2 ZINC001164713131 720148432 /nfs/dbraw/zinc/14/84/32/720148432.db2.gz RFOBUXJHFHVKMF-OAQYLSRUSA-N 1 0 433.556 3.948 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c4c([nH]c31)CCC4)CC2 ZINC001164714729 720154403 /nfs/dbraw/zinc/15/44/03/720154403.db2.gz YJLKXHALTWPQBO-HXUWFJFHSA-N 1 0 431.584 3.954 20 0 IHADRO CCc1nc2sc3c(c2c(N2CC[C@]4(C2)C[N@H+](CC2CC2)C[C@@H]4COC)n1)CCC3 ZINC001164818434 720165825 /nfs/dbraw/zinc/16/58/25/720165825.db2.gz STISAXQEPPJEIS-MZNJEOGPSA-N 1 0 426.630 3.927 20 0 IHADRO Cc1c(Cl)ccc2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc21 ZINC001164715065 720192930 /nfs/dbraw/zinc/19/29/30/720192930.db2.gz IVXZTGMXOGUIOJ-FQEVSTJZSA-N 1 0 440.979 3.541 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164810892 720198816 /nfs/dbraw/zinc/19/88/16/720198816.db2.gz FJNUUHNRVSJTDN-KSSFIOAISA-N 1 0 436.330 3.998 20 0 IHADRO COc1cccc2c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)cc(Cl)nc12 ZINC001164814174 720209475 /nfs/dbraw/zinc/20/94/75/720209475.db2.gz TZTYJZCCAHIYJL-UHFFFAOYSA-N 1 0 441.963 3.704 20 0 IHADRO O=C1N(CC2CC2)CC[C@]12CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164819879 720278628 /nfs/dbraw/zinc/27/86/28/720278628.db2.gz SQDGDSRBCUWBBZ-MHZLTWQESA-N 1 0 430.596 3.869 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(Cl)cc(Cl)nc2Cl)CC1 ZINC001164827324 720306017 /nfs/dbraw/zinc/30/60/17/720306017.db2.gz WNPORGUZWWXBSB-LSDHHAIUSA-N 1 0 431.795 3.953 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cc(C(C)(C)C)sc32)CC1 ZINC001164827390 720306403 /nfs/dbraw/zinc/30/64/03/720306403.db2.gz XKQDBZGPUMTUNT-RTBURBONSA-N 1 0 441.645 3.900 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(-c3c[nH]c4ccccc34)n2)CC1 ZINC001164831919 720316270 /nfs/dbraw/zinc/31/62/70/720316270.db2.gz SBESDJLVOGNUFN-BJKOFHAPSA-N 1 0 444.583 3.536 20 0 IHADRO Cc1sc2nc(C)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164834214 720317190 /nfs/dbraw/zinc/31/71/90/720317190.db2.gz YSPSRIXARGSUJL-RBUKOAKNSA-N 1 0 427.618 3.528 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(-c3cccc(Cl)n3)n2)CC1 ZINC001164829482 720319085 /nfs/dbraw/zinc/31/90/85/720319085.db2.gz MRQBMCFFSJCTRO-SFTDATJTSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nnc2-c2ccccc2)CC1 ZINC001164823828 720319277 /nfs/dbraw/zinc/31/92/77/720319277.db2.gz BJMXQGGMSDLRJB-UXHICEINSA-N 1 0 439.991 3.709 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164828380 720344893 /nfs/dbraw/zinc/34/48/93/720344893.db2.gz ONUXKWLVJBLOEI-RPWUZVMVSA-N 1 0 433.600 3.618 20 0 IHADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)C2 ZINC001164726665 720359236 /nfs/dbraw/zinc/35/92/36/720359236.db2.gz QYANJMKWOPGJIC-PKTZIBPZSA-N 1 0 446.986 3.894 20 0 IHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725463 720393292 /nfs/dbraw/zinc/39/32/92/720393292.db2.gz NOLJDHQGSKKBAK-DHIUTWEWSA-N 1 0 428.515 3.867 20 0 IHADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c2[nH]cnc21 ZINC001164733602 720427743 /nfs/dbraw/zinc/42/77/43/720427743.db2.gz PYFRQYBBNLVEEY-MSOLQXFVSA-N 1 0 435.532 3.553 20 0 IHADRO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164722428 720472870 /nfs/dbraw/zinc/47/28/70/720472870.db2.gz AJVPYPBSQYLKAI-DQEYMECFSA-N 1 0 429.568 3.941 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)C1 ZINC001164728078 720511954 /nfs/dbraw/zinc/51/19/54/720511954.db2.gz IBWXZHDEYJBUFS-GFCCVEGCSA-N 1 0 441.313 3.876 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc(F)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837922 720515355 /nfs/dbraw/zinc/51/53/55/720515355.db2.gz QPYOOSHGTDKMDI-RIFZZMRRSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(OCc4ccccc4)n3)CC[C@@H]21 ZINC001164834333 720519537 /nfs/dbraw/zinc/51/95/37/720519537.db2.gz FPKXAMXIAQPWLT-VABKMULXSA-N 1 0 432.572 3.630 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001164734901 720526096 /nfs/dbraw/zinc/52/60/96/720526096.db2.gz SYEWKHMWYBPGBQ-HNNXBMFYSA-N 1 0 432.906 3.736 20 0 IHADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c1 ZINC001164836622 720534249 /nfs/dbraw/zinc/53/42/49/720534249.db2.gz KKPMXRRGIMDNEY-FUPPJEDESA-N 1 0 433.556 3.596 20 0 IHADRO CSc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n1)CCCC2 ZINC001164839583 720537332 /nfs/dbraw/zinc/53/73/32/720537332.db2.gz QQQFXLANFFYYJE-DBXWQHBBSA-N 1 0 426.634 3.652 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(F)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841432 720537904 /nfs/dbraw/zinc/53/79/04/720537904.db2.gz VTOHYNSLPMQXEP-UWWQBHOKSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)COc3ccnc(Cl)c3)CC[C@@H]21 ZINC001164834650 720539344 /nfs/dbraw/zinc/53/93/44/720539344.db2.gz FOGMFBWHRDJKND-LNLFQRSKSA-N 1 0 439.938 3.777 20 0 IHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164736039 720544776 /nfs/dbraw/zinc/54/47/76/720544776.db2.gz UQLIOOWDLVSRAW-CYBMUJFWSA-N 1 0 431.911 3.583 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@@H]21 ZINC001164842942 720557041 /nfs/dbraw/zinc/55/70/41/720557041.db2.gz ZBQGBADJDQKXPI-FSSWDIPSSA-N 1 0 443.039 3.905 20 0 IHADRO Cc1nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(Cl)c1C ZINC001164834255 720567030 /nfs/dbraw/zinc/56/70/30/720567030.db2.gz DAQLWVDBHQTYDZ-KZNAEPCWSA-N 1 0 438.954 3.866 20 0 IHADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836354 720568278 /nfs/dbraw/zinc/56/82/78/720568278.db2.gz JPTYXEBVAJRHAF-ZRCGQRJVSA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727216 720571380 /nfs/dbraw/zinc/57/13/80/720571380.db2.gz CCIPAPKHRAGLQZ-UHFFFAOYSA-N 1 0 431.968 3.545 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(Oc4cccc(F)c4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839168 720575502 /nfs/dbraw/zinc/57/55/02/720575502.db2.gz PRQRGEQXDSFYNL-KAGYGMCKSA-N 1 0 436.535 3.982 20 0 IHADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835987 720631882 /nfs/dbraw/zinc/63/18/82/720631882.db2.gz DPHMFPNBURLGBV-KMDXXIMOSA-N 1 0 446.599 3.938 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164840962 720670678 /nfs/dbraw/zinc/67/06/78/720670678.db2.gz OJBNKEXZSLXIKV-HXUWFJFHSA-N 1 0 446.551 3.661 20 0 IHADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737306 720679641 /nfs/dbraw/zinc/67/96/41/720679641.db2.gz FKFNUQLYUHVCSU-DLBZAZTESA-N 1 0 431.874 3.565 20 0 IHADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164749217 720785418 /nfs/dbraw/zinc/78/54/18/720785418.db2.gz SEKOERJYIPBKIM-ROUUACIJSA-N 1 0 436.947 3.546 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccsc2n1 ZINC001164742679 720822567 /nfs/dbraw/zinc/82/25/67/720822567.db2.gz QMFOTJAKHKXXLO-JFIYKMOQSA-N 1 0 428.993 3.921 20 0 IHADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749694 720836167 /nfs/dbraw/zinc/83/61/67/720836167.db2.gz WPUUAUSLSVFVIT-KZNAEPCWSA-N 1 0 436.938 3.559 20 0 IHADRO CC(C)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164742406 720848247 /nfs/dbraw/zinc/84/82/47/720848247.db2.gz GHAGFBWKDVXITB-ZFGGDYGUSA-N 1 0 431.588 3.724 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(C)cc4)nc4ccccc43)CC[C@@H]2C1 ZINC001164856752 720864239 /nfs/dbraw/zinc/86/42/39/720864239.db2.gz PETMABGMVVSEED-QPPBQGQZSA-N 1 0 432.568 3.779 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@H]2C1 ZINC001164856063 720865585 /nfs/dbraw/zinc/86/55/85/720865585.db2.gz OHJVMWBCSHDDMO-LPHOPBHVSA-N 1 0 425.907 3.607 20 0 IHADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749070 720867459 /nfs/dbraw/zinc/86/74/59/720867459.db2.gz GRACWHPBOKLLLQ-NVQXNPDNSA-N 1 0 448.615 3.509 20 0 IHADRO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747279 720870513 /nfs/dbraw/zinc/87/05/13/720870513.db2.gz BAMDWMCEINBWJW-NZQKXSOJSA-N 1 0 427.980 3.589 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(C)cc4)c4ccccc43)CC[C@@H]2C1 ZINC001164853310 720873250 /nfs/dbraw/zinc/87/32/50/720873250.db2.gz BTBPZJWIBNDMKW-QPPBQGQZSA-N 1 0 432.568 3.779 20 0 IHADRO Fc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748489 720875798 /nfs/dbraw/zinc/87/57/98/720875798.db2.gz FNYOADVEPVHRBY-QFQXNSOFSA-N 1 0 447.558 3.919 20 0 IHADRO Cc1nnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751527 720879189 /nfs/dbraw/zinc/87/91/89/720879189.db2.gz KUYLDEZTMVMIDS-NFBKMPQASA-N 1 0 427.980 3.589 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC[C@@H]2C1 ZINC001164861652 720882065 /nfs/dbraw/zinc/88/20/65/720882065.db2.gz PWHLKAMDILYOCM-RSXGOPAZSA-N 1 0 444.579 3.984 20 0 IHADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)cc1 ZINC001164859887 720890152 /nfs/dbraw/zinc/89/01/52/720890152.db2.gz MYRIJQKWUDGJSW-NQIIRXRSSA-N 1 0 446.979 3.658 20 0 IHADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)cc1 ZINC001164859885 720890318 /nfs/dbraw/zinc/89/03/18/720890318.db2.gz MYRIJQKWUDGJSW-GHTZIAJQSA-N 1 0 446.979 3.658 20 0 IHADRO C=C(OCC)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164751735 720890436 /nfs/dbraw/zinc/89/04/36/720890436.db2.gz DDNJRHCDLMQSBC-ZEQKJWHPSA-N 1 0 449.599 3.634 20 0 IHADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)c1Cl ZINC001164755619 720896025 /nfs/dbraw/zinc/89/60/25/720896025.db2.gz MFCKEAJBNHAULY-URXFXBBRSA-N 1 0 442.007 3.897 20 0 IHADRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164757463 720900737 /nfs/dbraw/zinc/90/07/37/720900737.db2.gz VBRZRJPADHDFPX-GBXCKJPGSA-N 1 0 442.991 3.894 20 0 IHADRO COC(=O)c1cc2c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)[nH]c(Cl)cc-2n1 ZINC001164863568 720982160 /nfs/dbraw/zinc/98/21/60/720982160.db2.gz WLQDBLDFEWSFIT-ZDUSSCGKSA-N 1 0 430.940 3.621 20 0 IHADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2[N@@H+](C(C)(C)c2ccnc(Cl)c2)C1 ZINC001164757006 721018150 /nfs/dbraw/zinc/01/81/50/721018150.db2.gz CILRSCSJHALRMJ-AHRSYUTCSA-N 1 0 428.964 3.503 20 0 IHADRO Clc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869527 721044282 /nfs/dbraw/zinc/04/42/82/721044282.db2.gz UCTAUAXDWMJEAQ-DLBZAZTESA-N 1 0 430.339 3.811 20 0 IHADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869924 721062539 /nfs/dbraw/zinc/06/25/39/721062539.db2.gz UNLCGDQYSXYVRY-MSOLQXFVSA-N 1 0 445.901 3.703 20 0 IHADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865634 721106699 /nfs/dbraw/zinc/10/66/99/721106699.db2.gz NSZQITCZTLGEHD-MOPGFXCFSA-N 1 0 445.901 3.703 20 0 IHADRO Cc1cccc(Sc2cncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876518 721126106 /nfs/dbraw/zinc/12/61/06/721126106.db2.gz MYUFBXPYZYPNGO-RTWAWAEBSA-N 1 0 433.581 3.811 20 0 IHADRO CCc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C2)n1)CCC3 ZINC001164879146 721137545 /nfs/dbraw/zinc/13/75/45/721137545.db2.gz RZASCSHSIVORCG-QZTJIDSGSA-N 1 0 435.597 3.617 20 0 IHADRO CCc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C2)n1)CCC3 ZINC001164879150 721140010 /nfs/dbraw/zinc/14/00/10/721140010.db2.gz RZASCSHSIVORCG-ZWKOTPCHSA-N 1 0 435.597 3.617 20 0 IHADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164881203 721140091 /nfs/dbraw/zinc/14/00/91/721140091.db2.gz ZVQNAZRAWLIONE-FCHUYYIVSA-N 1 0 438.535 3.567 20 0 IHADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164871569 721173584 /nfs/dbraw/zinc/17/35/84/721173584.db2.gz FLNCYUPSKUKEQV-FCHUYYIVSA-N 1 0 433.581 3.644 20 0 IHADRO 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CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)nc1 ZINC001164881240 721367146 /nfs/dbraw/zinc/36/71/46/721367146.db2.gz ANBFDFGZJAHOPL-VJBWXMMDSA-N 1 0 438.547 3.778 20 0 IHADRO COc1cccc2c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)cc(Cl)nc12 ZINC001164894089 721380714 /nfs/dbraw/zinc/38/07/14/721380714.db2.gz XMEZEPAIFKJQHQ-UUOWRZLLSA-N 1 0 445.007 3.662 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164889918 721380881 /nfs/dbraw/zinc/38/08/81/721380881.db2.gz MXSLKJCGJUYQQH-MBSDFSHPSA-N 1 0 429.634 3.580 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164889909 721380933 /nfs/dbraw/zinc/38/09/33/721380933.db2.gz MXSLKJCGJUYQQH-FDDCHVKYSA-N 1 0 429.634 3.580 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)O2)CC1 ZINC001164892817 721383931 /nfs/dbraw/zinc/38/39/31/721383931.db2.gz STWUITKLWMYLNL-VQIMIIECSA-N 1 0 449.373 3.699 20 0 IHADRO 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COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164785155 721455318 /nfs/dbraw/zinc/45/53/18/721455318.db2.gz GUHFKGGHCKUSGJ-OAQYLSRUSA-N 1 0 442.579 3.811 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164782787 721462099 /nfs/dbraw/zinc/46/20/99/721462099.db2.gz BVMLYEGDENFZMU-JOCHJYFZSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164790622 721470991 /nfs/dbraw/zinc/47/09/91/721470991.db2.gz SNAPJTYKUWOKQF-QHCPKHFHSA-N 1 0 443.632 3.885 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164791039 721490608 /nfs/dbraw/zinc/49/06/08/721490608.db2.gz AIJNFZFOOAEZEI-UHFFFAOYSA-N 1 0 449.933 3.655 20 0 IHADRO COC(=O)CSc1cccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795939 721498788 /nfs/dbraw/zinc/49/87/88/721498788.db2.gz NRNXIVYBKFQHRO-UHFFFAOYSA-N 1 0 426.586 3.623 20 0 IHADRO O=C(NC1CCCCC1)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900099 721514914 /nfs/dbraw/zinc/51/49/14/721514914.db2.gz OAOPAOQQPUSGSF-RBBKRZOGSA-N 1 0 438.547 3.625 20 0 IHADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906355 721539787 /nfs/dbraw/zinc/53/97/87/721539787.db2.gz KCDJRHVYGYKTHC-MJGOQNOKSA-N 1 0 446.954 3.744 20 0 IHADRO COc1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164904714 721540128 /nfs/dbraw/zinc/54/01/28/721540128.db2.gz GBCFYCIQPPVDTJ-GOEBONIOSA-N 1 0 427.854 3.770 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC[N@@H+]3C2)c1 ZINC001164911513 721542172 /nfs/dbraw/zinc/54/21/72/721542172.db2.gz XCCXSEAAWNQSPJ-HOCLYGCPSA-N 1 0 449.864 3.704 20 0 IHADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164908222 721551101 /nfs/dbraw/zinc/55/11/01/721551101.db2.gz PZUQXICYCMKRMU-QUCCMNQESA-N 1 0 428.508 3.910 20 0 IHADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909212 721561891 /nfs/dbraw/zinc/56/18/91/721561891.db2.gz SYPNUVWMOMZDSQ-IRLDBZIGSA-N 1 0 447.514 3.518 20 0 IHADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164909651 721562810 /nfs/dbraw/zinc/56/28/10/721562810.db2.gz UMYZEWLWPUQJDP-AZUAARDMSA-N 1 0 439.922 3.981 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCc3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800985 721569558 /nfs/dbraw/zinc/56/95/58/721569558.db2.gz GBXUNSRXTSGWPY-PPJWLVRDSA-N 1 0 430.552 3.924 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)cc3ncnc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164801063 721572276 /nfs/dbraw/zinc/57/22/76/721572276.db2.gz GHPBEZPBIMPCIC-YFVAEKQCSA-N 1 0 427.911 3.686 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)cc3ncnc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164801058 721572371 /nfs/dbraw/zinc/57/23/71/721572371.db2.gz GHPBEZPBIMPCIC-QFUCXCTJSA-N 1 0 427.911 3.686 20 0 IHADRO CCN(c1ccccc1)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncn1 ZINC001164807664 721585712 /nfs/dbraw/zinc/58/57/12/721585712.db2.gz PDPJUOCSVZTIGB-MVERNJQCSA-N 1 0 444.583 3.898 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801119 721589372 /nfs/dbraw/zinc/58/93/72/721589372.db2.gz DRYCUHBKOJHUBW-AABGKKOBSA-N 1 0 427.980 3.969 20 0 IHADRO Cn1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904121 721697941 /nfs/dbraw/zinc/69/79/41/721697941.db2.gz DGTVEXCJWTVBRF-FQEVSTJZSA-N 1 0 432.906 3.754 20 0 IHADRO Nc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907790 721710836 /nfs/dbraw/zinc/71/08/36/721710836.db2.gz UEBFUTWBMVDZJK-GOSISDBHSA-N 1 0 443.876 3.995 20 0 IHADRO FC1(F)CCN(c2cc(N3CCCCC3)ncn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908952 721723528 /nfs/dbraw/zinc/72/35/28/721723528.db2.gz ZWHIITGCPGCJEO-QFIPXVFZSA-N 1 0 428.531 3.600 20 0 IHADRO Cc1noc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)n1 ZINC001164913864 721726732 /nfs/dbraw/zinc/72/67/32/721726732.db2.gz ZBLOSORGEWRGPP-NRFANRHFSA-N 1 0 426.471 3.573 20 0 IHADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164910608 721765824 /nfs/dbraw/zinc/76/58/24/721765824.db2.gz JFXCANRHNBOFIW-UHFFFAOYSA-N 1 0 447.583 3.643 20 0 IHADRO O=C(c1ccco1)N1C[C@@H]2CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@@H]2C1 ZINC001165015496 721769520 /nfs/dbraw/zinc/76/95/20/721769520.db2.gz LTIAUMFVMHLKQA-LADGPHEKSA-N 1 0 442.563 3.974 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165021848 721785581 /nfs/dbraw/zinc/78/55/81/721785581.db2.gz PTZUXWNJYNFUAL-DHLKQENFSA-N 1 0 434.588 3.832 20 0 IHADRO COC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026117 721803782 /nfs/dbraw/zinc/80/37/82/721803782.db2.gz PYGJACPMSPRAFI-AVCGJXAMSA-N 1 0 431.540 3.548 20 0 IHADRO CCOC(=O)c1cnc(C2CC2)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024145 721811969 /nfs/dbraw/zinc/81/19/69/721811969.db2.gz JDMNAQJHGKBJTN-BWAGFHJFSA-N 1 0 435.572 3.663 20 0 IHADRO COC(=O)c1cc2ccncc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021641 721814946 /nfs/dbraw/zinc/81/49/46/721814946.db2.gz FNBVTIULMRFFJM-QTGUNEKASA-N 1 0 431.540 3.548 20 0 IHADRO COc1cc(OC)c2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165022161 721831311 /nfs/dbraw/zinc/83/13/11/721831311.db2.gz GMHYZGSCSHXMLD-BULFRSBZSA-N 1 0 433.556 3.779 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164922216 721836864 /nfs/dbraw/zinc/83/68/64/721836864.db2.gz GEVOPJFWTIXSSU-TZBSWOFLSA-N 1 0 436.604 3.683 20 0 IHADRO COC(=O)/C=C/c1cc(C)cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021179 721843149 /nfs/dbraw/zinc/84/31/49/721843149.db2.gz GLBLLBLWRPECAW-MDZDMXLPSA-N 1 0 439.556 3.694 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164926160 721854181 /nfs/dbraw/zinc/85/41/81/721854181.db2.gz HSTLFOWPCVDTIB-HZPDHXFCSA-N 1 0 430.330 3.696 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164936094 721890154 /nfs/dbraw/zinc/89/01/54/721890154.db2.gz XSYGXQNQVGEEKJ-RTBURBONSA-N 1 0 439.913 3.696 20 0 IHADRO C[NH+](C)[C@@H]1CCCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)C1 ZINC000301147454 721895628 /nfs/dbraw/zinc/89/56/28/721895628.db2.gz KJTBQYYGYKRRLL-LJQANCHMSA-N 1 0 437.613 3.721 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H](CC(=O)NC4CCC4)OC[C@@H]3C2)nc1 ZINC001164931203 721897830 /nfs/dbraw/zinc/89/78/30/721897830.db2.gz DONVHXAZJWRJNX-IZBOUPIGSA-N 1 0 426.605 3.529 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)nc1 ZINC001164931204 721897852 /nfs/dbraw/zinc/89/78/52/721897852.db2.gz DONVHXAZJWRJNX-JMJGKCIBSA-N 1 0 426.605 3.529 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4SCC5)CC3)C2)cc1 ZINC001164939892 721924769 /nfs/dbraw/zinc/92/47/69/721924769.db2.gz PANMXVMFKFLXLQ-UHFFFAOYSA-N 1 0 431.005 3.958 20 0 IHADRO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164941002 721927295 /nfs/dbraw/zinc/92/72/95/721927295.db2.gz YNDIDYUFFPHXDF-UHFFFAOYSA-N 1 0 446.551 3.596 20 0 IHADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001165041148 721930974 /nfs/dbraw/zinc/93/09/74/721930974.db2.gz ZXPOCWQCGWCHPH-UHFFFAOYSA-N 1 0 438.906 3.810 20 0 IHADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001165054778 722020095 /nfs/dbraw/zinc/02/00/95/722020095.db2.gz BYXHZVDQQNBTGD-UHFFFAOYSA-N 1 0 425.536 3.969 20 0 IHADRO CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164961163 722053456 /nfs/dbraw/zinc/05/34/56/722053456.db2.gz SZUQURVLJALFRB-UHFFFAOYSA-N 1 0 438.572 3.551 20 0 IHADRO CSc1nc2ccsc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964712 722055380 /nfs/dbraw/zinc/05/53/80/722055380.db2.gz XEBNYZXYLVLNLS-UHFFFAOYSA-N 1 0 441.626 3.927 20 0 IHADRO CSc1nc2ccccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964600 722056907 /nfs/dbraw/zinc/05/69/07/722056907.db2.gz VXNYBFJYBILFSD-UHFFFAOYSA-N 1 0 435.597 3.866 20 0 IHADRO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960704 722057723 /nfs/dbraw/zinc/05/77/23/722057723.db2.gz IJOGLBPEZOFJLD-UHFFFAOYSA-N 1 0 446.551 3.535 20 0 IHADRO COc1ccccc1-c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960712 722060549 /nfs/dbraw/zinc/06/05/49/722060549.db2.gz IQDYQZLUAQHGAK-UHFFFAOYSA-N 1 0 445.567 3.666 20 0 IHADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164966246 722062559 /nfs/dbraw/zinc/06/25/59/722062559.db2.gz OYOYUDGOLCIDOU-IBGZPJMESA-N 1 0 434.588 3.985 20 0 IHADRO CSc1nc2sccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164986245 722103304 /nfs/dbraw/zinc/10/33/04/722103304.db2.gz YNVOYPNEVHIZJZ-SJLPKXTDSA-N 1 0 427.599 3.536 20 0 IHADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCCCC2 ZINC001164976672 722113541 /nfs/dbraw/zinc/11/35/41/722113541.db2.gz MAYVNGBLVUVWHL-WIYYLYMNSA-N 1 0 427.980 3.521 20 0 IHADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974084 722115962 /nfs/dbraw/zinc/11/59/62/722115962.db2.gz ILADKVDEGPLJTI-RDJZCZTQSA-N 1 0 426.870 3.541 20 0 IHADRO Clc1ncc(-c2ccccc2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981089 722120042 /nfs/dbraw/zinc/12/00/42/722120042.db2.gz SLJWIZJZMAPGKC-UNMCSNQZSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1ccccc1-c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973458 722129902 /nfs/dbraw/zinc/12/99/02/722129902.db2.gz CJBOHHNPADFRCT-CVDCTZTESA-N 1 0 435.959 3.919 20 0 IHADRO CC(C)(C)c1noc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164977067 722135892 /nfs/dbraw/zinc/13/58/92/722135892.db2.gz IKXZNUJXJPVJLF-LEWJYISDSA-N 1 0 448.571 3.551 20 0 IHADRO FC(F)c1nc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975203 722146858 /nfs/dbraw/zinc/14/68/58/722146858.db2.gz FRXRRAAMLMWXCW-PXNSSMCTSA-N 1 0 425.483 3.690 20 0 IHADRO Fc1ccc2nc(C(F)F)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974666 722152992 /nfs/dbraw/zinc/15/29/92/722152992.db2.gz OUBSCWIHZBQOLD-OXQOHEQNSA-N 1 0 443.473 3.829 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972734 722154897 /nfs/dbraw/zinc/15/48/97/722154897.db2.gz JEDDDJXGLRNSTA-UXHICEINSA-N 1 0 427.980 3.828 20 0 IHADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973344 722157489 /nfs/dbraw/zinc/15/74/89/722157489.db2.gz LXTSLZOCWZSRCM-VQIMIIECSA-N 1 0 427.911 3.545 20 0 IHADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994858 722205963 /nfs/dbraw/zinc/20/59/63/722205963.db2.gz IZOIQXORASAEAQ-DEOSSOPVSA-N 1 0 437.519 3.529 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3cccc(Cl)c31)CCC2 ZINC001165002669 722253356 /nfs/dbraw/zinc/25/33/56/722253356.db2.gz SGVOYPXYZOASEC-UHFFFAOYSA-N 1 0 435.359 3.622 20 0 IHADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000389255624 1126080095 /nfs/dbraw/zinc/08/00/95/1126080095.db2.gz NMXMWTRXRHRVPD-HNNXBMFYSA-N 1 0 429.152 3.913 20 0 IHADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cnc2ccc(Br)cn12)C(F)(F)F ZINC000608057684 1126100574 /nfs/dbraw/zinc/10/05/74/1126100574.db2.gz ZFEJBMVSJYKCAN-NVXWUHKLSA-N 1 0 428.252 3.721 20 0 IHADRO OC[C@]1([NH2+]Cc2sncc2Br)CCc2cc(Br)ccc2C1 ZINC001171949080 1126148646 /nfs/dbraw/zinc/14/86/46/1126148646.db2.gz MATVYXLUODKPQD-HNNXBMFYSA-N 1 0 432.181 3.678 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(C)c(I)cc2C)cc1 ZINC001176587215 1126149693 /nfs/dbraw/zinc/14/96/93/1126149693.db2.gz HHNKOUOIIQSFDZ-HXUWFJFHSA-N 1 0 439.337 4.000 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC001176586614 1126149343 /nfs/dbraw/zinc/14/93/43/1126149343.db2.gz DCWSLOXDCLMNAY-QFIPXVFZSA-N 1 0 425.510 3.749 20 0 IHADRO CCOc1c(OC)cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1OC ZINC001179277649 1126151837 /nfs/dbraw/zinc/15/18/37/1126151837.db2.gz LHHPAETWIAMACY-NRFANRHFSA-N 1 0 438.362 3.948 20 0 IHADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC001183145034 1126153112 /nfs/dbraw/zinc/15/31/12/1126153112.db2.gz GLROAEUOTVEDBI-HSZRJFAPSA-N 1 0 433.549 3.526 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c(F)ccc(Br)c2F)cc1OC ZINC001198230732 1126155887 /nfs/dbraw/zinc/15/58/87/1126155887.db2.gz RQYHKDOTKXJXPI-LJQANCHMSA-N 1 0 430.289 3.828 20 0 IHADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001202009514 1126156693 /nfs/dbraw/zinc/15/66/93/1126156693.db2.gz IFMBEWZEBYSZGB-NHCUHLMSSA-N 1 0 428.573 3.839 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)cc1OC ZINC001203581835 1126159198 /nfs/dbraw/zinc/15/91/98/1126159198.db2.gz ZIENQJWEEXGFSK-HXUWFJFHSA-N 1 0 431.426 3.867 20 0 IHADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ncc(Br)cc2Br)cc1C ZINC001202676387 1126157359 /nfs/dbraw/zinc/15/73/59/1126157359.db2.gz LVXGPEUMTSQICT-OAHLLOKOSA-N 1 0 428.168 3.917 20 0 IHADRO COC(=O)c1ccc(Br)c(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c1 ZINC001308117817 1126163552 /nfs/dbraw/zinc/16/35/52/1126163552.db2.gz ZXUNEGZUGWMRCC-LJQANCHMSA-N 1 0 426.738 3.972 20 0 IHADRO Cc1c(O)ccc2c(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cc(=O)oc12 ZINC001460859354 1126192352 /nfs/dbraw/zinc/19/23/52/1126192352.db2.gz CPYKVTRWMDMCCU-NRFANRHFSA-N 1 0 432.314 3.653 20 0 IHADRO CCn1c(Br)c(Br)nc1C[NH2+][C@](C)(CO)Cc1ccccc1F ZINC001461673006 1126196079 /nfs/dbraw/zinc/19/60/79/1126196079.db2.gz PXOKKLGSFHUNSI-INIZCTEOSA-N 1 0 449.162 3.650 20 0 IHADRO CCn1c(Br)c(Br)nc1C[NH2+][C@@](C)(CO)Cc1ccccc1F ZINC001461673012 1126196090 /nfs/dbraw/zinc/19/60/90/1126196090.db2.gz PXOKKLGSFHUNSI-MRXNPFEDSA-N 1 0 449.162 3.650 20 0 IHADRO O=C(OCc1ccccc1)c1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c[nH]1 ZINC001560330069 1126209971 /nfs/dbraw/zinc/20/99/71/1126209971.db2.gz BZFBEVPERKRGOM-CTNGQTDRSA-N 1 0 432.442 3.996 20 0 IHADRO Cc1sc2nc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)[nH]c(=O)c2c1C ZINC001620418851 1126240096 /nfs/dbraw/zinc/24/00/96/1126240096.db2.gz GJWSTRXOKPKCIB-FQEVSTJZSA-N 1 0 448.386 3.786 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC001621057463 1126245554 /nfs/dbraw/zinc/24/55/54/1126245554.db2.gz GDAWJHNXCWHOFM-KRWDZBQOSA-N 1 0 444.167 3.699 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164617195 719008776 /nfs/dbraw/zinc/00/87/76/719008776.db2.gz MZJKRPGSDBFNME-HNAYVOBHSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164617840 719008785 /nfs/dbraw/zinc/00/87/85/719008785.db2.gz QEOAPFVUYRSZRT-DNVCBOLYSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(SC)n3)CC2)CC1 ZINC001164613797 719022076 /nfs/dbraw/zinc/02/20/76/719022076.db2.gz FBGKXNIYRLJXHD-UHFFFAOYSA-N 1 0 448.967 3.641 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC2)CC1 ZINC001164616485 719032321 /nfs/dbraw/zinc/03/23/21/719032321.db2.gz DIQWUJLXUBSYHT-UHFFFAOYSA-N 1 0 442.938 3.796 20 0 IHADRO Clc1nnc(Cl)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1N1CCOCC1 ZINC001164627439 719114070 /nfs/dbraw/zinc/11/40/70/719114070.db2.gz KLKOCBPGJFKXNA-ZWKOTPCHSA-N 1 0 448.398 3.721 20 0 IHADRO c1sc([C@@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3O2)nc1C1CC1 ZINC001164649321 719289578 /nfs/dbraw/zinc/28/95/78/719289578.db2.gz WFFIPOGLERKALF-IHPCNDPISA-N 1 0 426.586 3.857 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1 ZINC001164656335 719328128 /nfs/dbraw/zinc/32/81/28/719328128.db2.gz XDGTXDSGZQQYBB-QHCPKHFHSA-N 1 0 447.587 3.994 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@H]32)nc1 ZINC001164677536 719544647 /nfs/dbraw/zinc/54/46/47/719544647.db2.gz FBLYXSKHTCYBKU-ODAXIHTASA-N 1 0 426.605 3.625 20 0 IHADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)c2c1CC[NH2+]C2 ZINC001164685735 719612267 /nfs/dbraw/zinc/61/22/67/719612267.db2.gz VQSCNUTXKBEHIO-UHFFFAOYSA-N 1 0 438.885 3.702 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(Cl)n3)CC2)c2ccccc21 ZINC001164681830 719656756 /nfs/dbraw/zinc/65/67/56/719656756.db2.gz RNNKVBGBRLYGKE-GOSISDBHSA-N 1 0 426.992 3.828 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)ccn3)CC2)c2ccccc21 ZINC001164680963 719657072 /nfs/dbraw/zinc/65/70/72/719657072.db2.gz KBVBXSWBVKYKGO-GOSISDBHSA-N 1 0 426.992 3.828 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(Cl)cn3)CC2)c2ccccc21 ZINC001164684120 719658243 /nfs/dbraw/zinc/65/82/43/719658243.db2.gz WGUJTQGOYWMUEN-SFHVURJKSA-N 1 0 426.992 3.828 20 0 IHADRO Cc1c[nH]c2nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ccc12 ZINC001164684053 719664074 /nfs/dbraw/zinc/66/40/74/719664074.db2.gz WASPZFOSRRJJLN-HXUWFJFHSA-N 1 0 445.611 3.965 20 0 IHADRO CCCc1cncnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680744 719665943 /nfs/dbraw/zinc/66/59/43/719665943.db2.gz HHPYMTPYKDNCJZ-NRFANRHFSA-N 1 0 435.616 3.523 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(C(F)F)n3)CC2)c2ccccc21 ZINC001164682929 719675623 /nfs/dbraw/zinc/67/56/23/719675623.db2.gz QDERVXCCRNQYDF-KRWDZBQOSA-N 1 0 443.542 3.508 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3scc(-c4ccc(C)cc4)c31)CC2 ZINC001164686114 719714018 /nfs/dbraw/zinc/71/40/18/719714018.db2.gz XFHLDJVDNROUCT-UHFFFAOYSA-N 1 0 435.597 3.848 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164690221 719741744 /nfs/dbraw/zinc/74/17/44/719741744.db2.gz VPTUUJTUYVHPQE-UHFFFAOYSA-N 1 0 449.933 3.523 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164690541 719758836 /nfs/dbraw/zinc/75/88/36/719758836.db2.gz DKRMZVPVNVBIJY-UHFFFAOYSA-N 1 0 438.906 3.721 20 0 IHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(Cn4ccccc4=O)cn2)CC3)cs1 ZINC001164693911 719813706 /nfs/dbraw/zinc/81/37/06/719813706.db2.gz ZDSPTQYYPJBGQO-UHFFFAOYSA-N 1 0 435.597 3.692 20 0 IHADRO COC(=O)c1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc2c1 ZINC001164696099 719891607 /nfs/dbraw/zinc/89/16/07/719891607.db2.gz XDHBYKUEUPTZMB-UHFFFAOYSA-N 1 0 437.565 3.954 20 0 IHADRO COC(=O)c1cc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1C ZINC001164705857 719906121 /nfs/dbraw/zinc/90/61/21/719906121.db2.gz DKZRCJBXCBKQIK-UHFFFAOYSA-N 1 0 435.977 3.763 20 0 IHADRO NC(=S)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c2sccc21 ZINC001164705896 719909360 /nfs/dbraw/zinc/90/93/60/719909360.db2.gz FIGUBACRAFHQRH-UHFFFAOYSA-N 1 0 444.651 3.863 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 ZINC001164801771 720052242 /nfs/dbraw/zinc/05/22/42/720052242.db2.gz GOVVNLCPZDGFQD-VDKIKQQVSA-N 1 0 439.604 3.670 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164809219 720077241 /nfs/dbraw/zinc/07/72/41/720077241.db2.gz IYVPMDCHXNIKQY-KBXCAEBGSA-N 1 0 432.968 3.582 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3nc(Cl)ccc31)CC2 ZINC001164710617 720102121 /nfs/dbraw/zinc/10/21/21/720102121.db2.gz KBEGPZCEYIAUJU-SFHVURJKSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164714944 720107782 /nfs/dbraw/zinc/10/77/82/720107782.db2.gz FXEZXXQYGVPJCG-OAQYLSRUSA-N 1 0 435.547 3.980 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ccc(OC)cc3n1)CC2 ZINC001164714264 720109632 /nfs/dbraw/zinc/10/96/32/720109632.db2.gz BHOQOLWLBVRLHZ-OAQYLSRUSA-N 1 0 433.556 3.541 20 0 IHADRO CCOc1ccc2ncnc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c2c1 ZINC001164715501 720121493 /nfs/dbraw/zinc/12/14/93/720121493.db2.gz GMEASQZQGMZRSN-OAQYLSRUSA-N 1 0 447.583 3.931 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cncc(Cl)n1)CC2 ZINC001164710853 720131764 /nfs/dbraw/zinc/13/17/64/720131764.db2.gz DVLASSPCIIZAIH-QGZVFWFLSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164809088 720133398 /nfs/dbraw/zinc/13/33/98/720133398.db2.gz GSJNRROOGXRAMP-UZUQRXQVSA-N 1 0 435.996 3.875 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164710843 720148591 /nfs/dbraw/zinc/14/85/91/720148591.db2.gz DSFMDGSMKUWLRR-XMMPIXPASA-N 1 0 443.595 3.970 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)cnc1Cl)CCC2 ZINC001164811326 720212858 /nfs/dbraw/zinc/21/28/58/720212858.db2.gz GGEGNZAFNUCOGE-UHFFFAOYSA-N 1 0 446.329 3.741 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)c1 ZINC001164813233 720238493 /nfs/dbraw/zinc/23/84/93/720238493.db2.gz LOAIWHRCZOJXDI-UHFFFAOYSA-N 1 0 432.572 3.568 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827727 720319819 /nfs/dbraw/zinc/31/98/19/720319819.db2.gz HYHBPWGNXLFELU-VQTJNVASSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(Cl)nc2-c2ccccc2)CC1 ZINC001164822808 720343811 /nfs/dbraw/zinc/34/38/11/720343811.db2.gz FMYOPDFDYVNDIB-WOJBJXKFSA-N 1 0 439.991 3.709 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821768 720355752 /nfs/dbraw/zinc/35/57/52/720355752.db2.gz BUJJFZVLHCPMOT-VQTJNVASSA-N 1 0 442.991 3.808 20 0 IHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723113 720371395 /nfs/dbraw/zinc/37/13/95/720371395.db2.gz GESJLMMYRZTOKG-RTBURBONSA-N 1 0 435.553 3.630 20 0 IHADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164725395 720394807 /nfs/dbraw/zinc/39/48/07/720394807.db2.gz NFNHDCMAVNAZSA-GOTSBHOMSA-N 1 0 428.515 3.867 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164728508 720503569 /nfs/dbraw/zinc/50/35/69/720503569.db2.gz GEBASNNSAGRBQJ-OTNCWRBYSA-N 1 0 435.572 3.648 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)C1 ZINC001164726919 720510323 /nfs/dbraw/zinc/51/03/23/720510323.db2.gz ACTOQYCQFHZUQT-INIZCTEOSA-N 1 0 434.494 3.970 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC[C@@H]21 ZINC001164835760 720514456 /nfs/dbraw/zinc/51/44/56/720514456.db2.gz LDZZPIKZHZDMMP-KKUMJFAQSA-N 1 0 445.345 3.903 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4cccc(F)c43)CC[C@@H]21 ZINC001164840243 720529598 /nfs/dbraw/zinc/52/95/98/720529598.db2.gz SIZJDVXYAWITNO-BXWFABGCSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(F)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841431 720537799 /nfs/dbraw/zinc/53/77/99/720537799.db2.gz VTOHYNSLPMQXEP-QILLFSRXSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CCCCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833635 720537889 /nfs/dbraw/zinc/53/78/89/720537889.db2.gz BARRQYHWZWCOHB-BBTUJRGHSA-N 1 0 429.012 3.973 20 0 IHADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164838558 720540309 /nfs/dbraw/zinc/54/03/09/720540309.db2.gz ONFCJPWYXDYPHN-NLWGTHIKSA-N 1 0 445.995 3.794 20 0 IHADRO CCOC(=O)c1ccc(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(Cl)n1 ZINC001164735998 720546232 /nfs/dbraw/zinc/54/62/32/720546232.db2.gz TYLIVUUZEXQYCW-CQSZACIVSA-N 1 0 445.938 3.973 20 0 IHADRO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836272 720613071 /nfs/dbraw/zinc/61/30/71/720613071.db2.gz FOPLVUJERITQEI-MIZPHKNDSA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc4nc(Cl)cnc4cc3F)CC[C@@H]21 ZINC001164841245 720617783 /nfs/dbraw/zinc/61/77/83/720617783.db2.gz RTXJDAMEKRSCBX-GUXCAODWSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836832 720628477 /nfs/dbraw/zinc/62/84/77/720628477.db2.gz GZGMSSVLXXVFLB-ZFGGDYGUSA-N 1 0 443.599 3.602 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)CC[C@@H]21 ZINC001164843754 720649832 /nfs/dbraw/zinc/64/98/32/720649832.db2.gz XOSMBKCGBVCUSU-MMOPVJDHSA-N 1 0 433.535 3.825 20 0 IHADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839966 720667871 /nfs/dbraw/zinc/66/78/71/720667871.db2.gz LNQBGYGADQHAEK-NRFANRHFSA-N 1 0 446.551 3.676 20 0 IHADRO COc1cc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164841775 720672740 /nfs/dbraw/zinc/67/27/40/720672740.db2.gz PZHPZYLDQRQOPX-HXUWFJFHSA-N 1 0 448.567 3.907 20 0 IHADRO COC(=O)c1cc2ccncc2nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843330 720693981 /nfs/dbraw/zinc/69/39/81/720693981.db2.gz OASYEYJGBDSPHO-NRFANRHFSA-N 1 0 446.551 3.676 20 0 IHADRO CCOc1ccc(C(=O)OC)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844928 720696494 /nfs/dbraw/zinc/69/64/94/720696494.db2.gz WLFXNWUOWFXLGZ-HXUWFJFHSA-N 1 0 439.556 3.527 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164840481 720698107 /nfs/dbraw/zinc/69/81/07/720698107.db2.gz FGELCZOYPGQRGZ-HXUWFJFHSA-N 1 0 438.572 3.692 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164839889 720717100 /nfs/dbraw/zinc/71/71/00/720717100.db2.gz OCTFSCCVLQKNQS-JOCHJYFZSA-N 1 0 433.531 3.938 20 0 IHADRO C[NH+](C)Cc1ccnc(N2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)c1 ZINC001164838677 720735162 /nfs/dbraw/zinc/73/51/62/720735162.db2.gz WKYSKWZMQCPUNK-UHFFFAOYSA-N 1 0 432.547 3.631 20 0 IHADRO Cc1ccc(Cl)nc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843442 720742350 /nfs/dbraw/zinc/74/23/50/720742350.db2.gz JVYBLNHNAVNHPL-UHFFFAOYSA-N 1 0 444.917 3.946 20 0 IHADRO Fc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164745259 720755949 /nfs/dbraw/zinc/75/59/49/720755949.db2.gz UJLUQCXINDVLSO-ZWKOTPCHSA-N 1 0 448.527 3.629 20 0 IHADRO Cc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164740481 720757001 /nfs/dbraw/zinc/75/70/01/720757001.db2.gz LJFVQHMIJKJOJZ-RTWAWAEBSA-N 1 0 438.535 3.737 20 0 IHADRO Fc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746359 720762307 /nfs/dbraw/zinc/76/23/07/720762307.db2.gz XPXWLURRYHHMPE-WOJBJXKFSA-N 1 0 442.498 3.568 20 0 IHADRO Cc1sc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164738251 720764965 /nfs/dbraw/zinc/76/49/65/720764965.db2.gz FHAUYVNDGFOVBP-RTBURBONSA-N 1 0 444.564 3.799 20 0 IHADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746797 720822277 /nfs/dbraw/zinc/82/22/77/720822277.db2.gz ZDPSVQMGVOEAQY-CMKODMSKSA-N 1 0 437.979 3.563 20 0 IHADRO Cc1ccc(F)c2cc(C)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164744675 720837083 /nfs/dbraw/zinc/83/70/83/720837083.db2.gz LCMQOBBBORYDNF-TXTKFYIRSA-N 1 0 434.563 3.962 20 0 IHADRO Clc1cccc(-c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)c1 ZINC001164741674 720850458 /nfs/dbraw/zinc/85/04/58/720850458.db2.gz FMRWGYYDDOYHPK-XKCSPQBFSA-N 1 0 449.990 3.768 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751861 720856259 /nfs/dbraw/zinc/85/62/59/720856259.db2.gz RDQDORIUOVRHHA-VAMGGRTRSA-N 1 0 444.027 3.608 20 0 IHADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccccc1F ZINC001164746104 720858550 /nfs/dbraw/zinc/85/85/50/720858550.db2.gz FQDZAIBBPMPXGC-TXTKFYIRSA-N 1 0 447.562 3.562 20 0 IHADRO Cc1nc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750148 720867208 /nfs/dbraw/zinc/86/72/08/720867208.db2.gz JBACNQIARMTGKU-NZQKXSOJSA-N 1 0 427.980 3.589 20 0 IHADRO c1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164751666 720868101 /nfs/dbraw/zinc/86/81/01/720868101.db2.gz LUYRBEJWLPUDIX-ZEQKJWHPSA-N 1 0 429.568 3.780 20 0 IHADRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164748038 720868279 /nfs/dbraw/zinc/86/82/79/720868279.db2.gz DNLAKNXCFLPPIJ-QPPBQGQZSA-N 1 0 442.007 3.897 20 0 IHADRO Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747283 720870403 /nfs/dbraw/zinc/87/04/03/720870403.db2.gz BAMDWMCEINBWJW-OFNKIYASSA-N 1 0 427.980 3.589 20 0 IHADRO c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747939 720872900 /nfs/dbraw/zinc/87/29/00/720872900.db2.gz CPKULKUBRBBLGA-GJZUVCINSA-N 1 0 429.568 3.780 20 0 IHADRO CSc1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754953 720889941 /nfs/dbraw/zinc/88/99/41/720889941.db2.gz JXQPKTFTCCMPEE-XUZZJYLKSA-N 1 0 439.629 3.657 20 0 IHADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)cc1 ZINC001164859890 720890073 /nfs/dbraw/zinc/89/00/73/720890073.db2.gz MYRIJQKWUDGJSW-WIYYLYMNSA-N 1 0 446.979 3.658 20 0 IHADRO c1ccc2nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2c1 ZINC001164756304 720892096 /nfs/dbraw/zinc/89/20/96/720892096.db2.gz PKVISMDTCYUUQR-BVAGGSTKSA-N 1 0 429.568 3.780 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccc4cnccc42)C3)c1 ZINC001164758096 720897194 /nfs/dbraw/zinc/89/71/94/720897194.db2.gz WODBDASAOKMIDM-ZEQKJWHPSA-N 1 0 429.568 3.780 20 0 IHADRO c1nc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164755103 720899944 /nfs/dbraw/zinc/89/99/44/720899944.db2.gz KVKPZLUEBSAEGC-GBXCKJPGSA-N 1 0 435.597 3.841 20 0 IHADRO c1nc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164755105 720900509 /nfs/dbraw/zinc/90/05/09/720900509.db2.gz KVKPZLUEBSAEGC-HYBUGGRVSA-N 1 0 435.597 3.841 20 0 IHADRO CCc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755134 720918561 /nfs/dbraw/zinc/91/85/61/720918561.db2.gz YPZZREXWQWUWBW-GBXCKJPGSA-N 1 0 442.007 3.843 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc(C4CCC4)ncn2)C3)c1 ZINC001164747432 720926929 /nfs/dbraw/zinc/92/69/29/720926929.db2.gz DEDJWTKZLUPZLV-ZEQKJWHPSA-N 1 0 433.600 3.894 20 0 IHADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164864217 720972932 /nfs/dbraw/zinc/97/29/32/720972932.db2.gz ZUULPLMOCWJCOF-GFCCVEGCSA-N 1 0 441.363 3.578 20 0 IHADRO CCOC(=O)c1cc2c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)[nH]c(C)c(C)c-2n1 ZINC001164861834 720973941 /nfs/dbraw/zinc/97/39/41/720973941.db2.gz QWGBYVXFALQPIS-QGZVFWFLSA-N 1 0 438.576 3.974 20 0 IHADRO COc1ccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nn2)c(OC)c1 ZINC001164861396 721010482 /nfs/dbraw/zinc/01/04/82/721010482.db2.gz OITSNQWKOPLWKC-KRWDZBQOSA-N 1 0 436.560 3.779 20 0 IHADRO CCn1nnc2c1CCN(c1ccc(C[NH+]3CCCC3)cn1)[C@@H]2COCc1ccccc1 ZINC001164765183 721049482 /nfs/dbraw/zinc/04/94/82/721049482.db2.gz CFZXFVFFOCHWMY-HSZRJFAPSA-N 1 0 432.572 3.609 20 0 IHADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867356 721049846 /nfs/dbraw/zinc/04/98/46/721049846.db2.gz INROFADFUGAHOW-CABCVRRESA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865820 721050560 /nfs/dbraw/zinc/05/05/60/721050560.db2.gz AEDVFTCPPDTRIG-HZPDHXFCSA-N 1 0 429.298 3.808 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164773243 721109839 /nfs/dbraw/zinc/10/98/39/721109839.db2.gz XKBMJHAHQNAHBD-HOTGVXAUSA-N 1 0 432.906 3.520 20 0 IHADRO Clc1cc(Cc2ccccc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866181 721120560 /nfs/dbraw/zinc/12/05/60/721120560.db2.gz RQWZKYPDXUBWMG-YADHBBJMSA-N 1 0 435.959 3.596 20 0 IHADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164876976 721137985 /nfs/dbraw/zinc/13/79/85/721137985.db2.gz NHEDKTVXLCPPIL-RTBURBONSA-N 1 0 435.597 3.753 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164774019 721158139 /nfs/dbraw/zinc/15/81/39/721158139.db2.gz ZSDOAFGQAYPSEH-SJORKVTESA-N 1 0 432.906 3.520 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164878490 721163595 /nfs/dbraw/zinc/16/35/95/721163595.db2.gz QHRRXRYWPKZLIJ-MOPGFXCFSA-N 1 0 439.922 3.811 20 0 IHADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164871571 721172657 /nfs/dbraw/zinc/17/26/57/721172657.db2.gz FLNCYUPSKUKEQV-VXKWHMMOSA-N 1 0 433.581 3.644 20 0 IHADRO CSc1ccc(Oc2cc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ncn2)cc1 ZINC001164768689 721178780 /nfs/dbraw/zinc/17/87/80/721178780.db2.gz LOQBZSXKRLMVTP-MOPGFXCFSA-N 1 0 436.585 3.683 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164880699 721178949 /nfs/dbraw/zinc/17/89/49/721178949.db2.gz XDDIXDXBOLVCDU-OALUTQOASA-N 1 0 444.963 3.565 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164771911 721205094 /nfs/dbraw/zinc/20/50/94/721205094.db2.gz RYWVKOOREMRBMZ-IAGOWNOFSA-N 1 0 442.926 3.753 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@H]3C2)cn1 ZINC001164767003 721216430 /nfs/dbraw/zinc/21/64/30/721216430.db2.gz JWBRAVIFULROQV-QZTJIDSGSA-N 1 0 426.927 3.628 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001164763173 721232840 /nfs/dbraw/zinc/23/28/40/721232840.db2.gz MGTGQQMHWJJEEZ-ZIAGYGMSSA-N 1 0 449.855 3.991 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccccc4F)C[C@H]3C2)cn1 ZINC001164760325 721239122 /nfs/dbraw/zinc/23/91/22/721239122.db2.gz DKRSURYFOFWKCG-IAGOWNOFSA-N 1 0 442.926 3.753 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1 ZINC001164883770 721352679 /nfs/dbraw/zinc/35/26/79/721352679.db2.gz LSZWLPZGBPNOKS-WXFUMESZSA-N 1 0 434.584 3.606 20 0 IHADRO COc1cccc2c1ccnc2N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164785280 721368353 /nfs/dbraw/zinc/36/83/53/721368353.db2.gz SXHCCYNUYAJQCK-VWLOTQADSA-N 1 0 436.556 3.967 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164889922 721380977 /nfs/dbraw/zinc/38/09/77/721380977.db2.gz MXSLKJCGJUYQQH-WZONZLPQSA-N 1 0 429.634 3.580 20 0 IHADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2cc(Cl)ccc12 ZINC001164891077 721421991 /nfs/dbraw/zinc/42/19/91/721421991.db2.gz VCANEVJFQFUUAE-RDPSFJRHSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2cc(Cl)ccc12 ZINC001164891072 721422081 /nfs/dbraw/zinc/42/20/81/721422081.db2.gz VCANEVJFQFUUAE-GBXCKJPGSA-N 1 0 429.008 3.962 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)C3)O2)CC1 ZINC001164899977 721434596 /nfs/dbraw/zinc/43/45/96/721434596.db2.gz ZRUAUZYNDDLBKE-XUZZJYLKSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1cccc2cc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164894400 721447069 /nfs/dbraw/zinc/44/70/69/721447069.db2.gz MBDKRDZMOGALGR-GBXCKJPGSA-N 1 0 429.008 3.962 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)C3)O2)CC1 ZINC001164887762 721448208 /nfs/dbraw/zinc/44/82/08/721448208.db2.gz JYYDOKYNVDFKES-RDPSFJRHSA-N 1 0 448.055 3.943 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164786818 721453690 /nfs/dbraw/zinc/45/36/90/721453690.db2.gz NSBNACBMCBXYLO-SFHVURJKSA-N 1 0 432.996 3.950 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(OC)ccc31)CC2 ZINC001164785954 721454819 /nfs/dbraw/zinc/45/48/19/721454819.db2.gz KEWWRFWRVWSFQF-JOCHJYFZSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164785077 721455238 /nfs/dbraw/zinc/45/52/38/721455238.db2.gz GITOWTWDAGHWDB-NRFANRHFSA-N 1 0 442.579 3.811 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164784055 721459603 /nfs/dbraw/zinc/45/96/03/721459603.db2.gz GSAYDKLOVPBWNO-CTNGQTDRSA-N 1 0 425.976 3.933 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164899488 721490536 /nfs/dbraw/zinc/49/05/36/721490536.db2.gz KQJLLZFAXYSWCC-UNMCSNQZSA-N 1 0 426.605 3.673 20 0 IHADRO COc1cc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC ZINC001164791641 721492079 /nfs/dbraw/zinc/49/20/79/721492079.db2.gz DEDHGDQKRJYPPA-UHFFFAOYSA-N 1 0 433.556 3.923 20 0 IHADRO COc1nc(-c2ccccc2)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791929 721497111 /nfs/dbraw/zinc/49/71/11/721497111.db2.gz FEOTWEIJOGSDBA-UHFFFAOYSA-N 1 0 430.556 3.823 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)CC[N@@H+]3C2)c1 ZINC001164899963 721511612 /nfs/dbraw/zinc/51/16/12/721511612.db2.gz MPCCEXYVUOQFCA-JSGCOSHPSA-N 1 0 433.261 3.809 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164897170 721512317 /nfs/dbraw/zinc/51/23/17/721512317.db2.gz DWPONMGKLPGUGO-JSGCOSHPSA-N 1 0 433.261 3.809 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903440 721532897 /nfs/dbraw/zinc/53/28/97/721532897.db2.gz COVWBVKZHWUEOF-DOTOQJQBSA-N 1 0 428.895 3.773 20 0 IHADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906354 721540143 /nfs/dbraw/zinc/54/01/43/721540143.db2.gz KCDJRHVYGYKTHC-IEBWSBKVSA-N 1 0 446.954 3.744 20 0 IHADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2ccccc21 ZINC001164803684 721552445 /nfs/dbraw/zinc/55/24/45/721552445.db2.gz ISMRPAGDCXWNMB-LSQMVHIFSA-N 1 0 446.551 3.675 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804501 721552608 /nfs/dbraw/zinc/55/26/08/721552608.db2.gz KBCUOZIOMXYVRC-WFXMLNOXSA-N 1 0 439.947 3.555 20 0 IHADRO COc1ccc2nc(Cl)cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2n1 ZINC001164808024 721557961 /nfs/dbraw/zinc/55/79/61/721557961.db2.gz ULFGYNVBKLEFCS-LTMIRXACSA-N 1 0 439.947 3.555 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164909643 721561335 /nfs/dbraw/zinc/56/13/35/721561335.db2.gz UMHGQWCYJUIWJW-PZJWPPBQSA-N 1 0 431.515 3.508 20 0 IHADRO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905962 721583031 /nfs/dbraw/zinc/58/30/31/721583031.db2.gz YDNUZVDRAVPMCX-QFIPXVFZSA-N 1 0 428.531 3.518 20 0 IHADRO FC(F)(c1cc(Cl)ncn1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905066 721583236 /nfs/dbraw/zinc/58/32/36/721583236.db2.gz RXLYZMSHNYMUME-QGZVFWFLSA-N 1 0 429.849 3.808 20 0 IHADRO COC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903964 721583938 /nfs/dbraw/zinc/58/39/38/721583938.db2.gz PMNDEBVKZFGUTB-HXUWFJFHSA-N 1 0 436.890 3.654 20 0 IHADRO Cn1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904124 721698268 /nfs/dbraw/zinc/69/82/68/721698268.db2.gz DGTVEXCJWTVBRF-HXUWFJFHSA-N 1 0 432.906 3.754 20 0 IHADRO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164907274 721711843 /nfs/dbraw/zinc/71/18/43/721711843.db2.gz QHOTZPRYDOTVEH-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906633 721711889 /nfs/dbraw/zinc/71/18/89/721711889.db2.gz NJUSSCWOEXOOFX-QFIPXVFZSA-N 1 0 445.514 3.565 20 0 IHADRO CC(C)n1cnc2cnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164910609 721726170 /nfs/dbraw/zinc/72/61/70/721726170.db2.gz GTOWLCFROGYVMB-OAQYLSRUSA-N 1 0 427.503 3.540 20 0 IHADRO FC1(F)CCN(c2ccnc(-c3nccs3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913817 721736997 /nfs/dbraw/zinc/73/69/97/721736997.db2.gz YCMMRSVWLIJJDH-HXUWFJFHSA-N 1 0 428.512 3.733 20 0 IHADRO CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165019893 721809189 /nfs/dbraw/zinc/80/91/89/721809189.db2.gz CBGIPHLMENGPNV-RCZSKKKRSA-N 1 0 433.556 3.872 20 0 IHADRO COc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c(OC)c1 ZINC001165029636 721814917 /nfs/dbraw/zinc/81/49/17/721814917.db2.gz ZWRUZLRXUQQTJM-RBDMOPTHSA-N 1 0 433.556 3.779 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3cccnc32)CC1 ZINC001165021415 721839699 /nfs/dbraw/zinc/83/96/99/721839699.db2.gz MRISTAZOUTUAFI-UHFFFAOYSA-N 1 0 427.936 3.796 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(-c3cccnc3F)n2)CC1 ZINC001165021268 721842618 /nfs/dbraw/zinc/84/26/18/721842618.db2.gz KEGBRUDVMCTVMG-UHFFFAOYSA-N 1 0 437.519 3.796 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N3CCC[C@H](C)C3)ncn2)CC1 ZINC001165030305 721844275 /nfs/dbraw/zinc/84/42/75/721844275.db2.gz HJQDMXWBDDGVQE-IBGZPJMESA-N 1 0 439.604 3.831 20 0 IHADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164934579 721884335 /nfs/dbraw/zinc/88/43/35/721884335.db2.gz SEFHKMZBIHHTOG-VQTJNVASSA-N 1 0 437.613 3.719 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164933049 721890324 /nfs/dbraw/zinc/89/03/24/721890324.db2.gz JFJKAZFPBBNFQT-OALUTQOASA-N 1 0 439.913 3.696 20 0 IHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC[C@H]([NH+](C)C)C3)c2c1C ZINC001165035330 721895905 /nfs/dbraw/zinc/89/59/05/721895905.db2.gz MRDTYAFCQQMQKL-KRWDZBQOSA-N 1 0 445.633 3.693 20 0 IHADRO c1cncc(-c2nc3sc4c(c3c(N3CC[NH+](C[C@@H]5CCCO5)CC3)n2)CCCC4)c1 ZINC000015130019 721917194 /nfs/dbraw/zinc/91/71/94/721917194.db2.gz DYFYZROJVVVLRT-SFHVURJKSA-N 1 0 435.597 3.933 20 0 IHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000623116776 721922239 /nfs/dbraw/zinc/92/22/39/721922239.db2.gz RKBRDSLLDSAUGC-LJQANCHMSA-N 1 0 437.613 3.721 20 0 IHADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001165044857 721956549 /nfs/dbraw/zinc/95/65/49/721956549.db2.gz QXUPDYWBUYVRHE-UHFFFAOYSA-N 1 0 431.515 3.820 20 0 IHADRO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)n1 ZINC001164964783 722027076 /nfs/dbraw/zinc/02/70/76/722027076.db2.gz YJHNEZQJKVTHJC-AZGAKELHSA-N 1 0 436.600 3.973 20 0 IHADRO c1ccc(Cc2nccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164960693 722061013 /nfs/dbraw/zinc/06/10/13/722061013.db2.gz HUQQBGVEVHLMLA-UHFFFAOYSA-N 1 0 429.568 3.581 20 0 IHADRO Fc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1-c1ccsc1 ZINC001164965929 722061932 /nfs/dbraw/zinc/06/19/32/722061932.db2.gz MILKSETWHFQVPJ-UHFFFAOYSA-N 1 0 439.560 3.858 20 0 IHADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c23)C1 ZINC001164978206 722115974 /nfs/dbraw/zinc/11/59/74/722115974.db2.gz NVSOQPZQFJSOOP-LMNJBCLMSA-N 1 0 449.624 3.938 20 0 IHADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983294 722129588 /nfs/dbraw/zinc/12/95/88/722129588.db2.gz SXYFWUKLSJIHPV-ZJSXRUAMSA-N 1 0 446.551 3.534 20 0 IHADRO Clc1ccccc1-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973464 722129873 /nfs/dbraw/zinc/12/98/73/722129873.db2.gz CJBOHHNPADFRCT-XXBNENTESA-N 1 0 435.959 3.919 20 0 IHADRO Fc1cccc(Oc2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164985026 722131742 /nfs/dbraw/zinc/13/17/42/722131742.db2.gz YWWPWBLIUZNSSK-SIKLNZKXSA-N 1 0 435.503 3.530 20 0 IHADRO Fc1cccc(Oc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164985025 722131891 /nfs/dbraw/zinc/13/18/91/722131891.db2.gz YWWPWBLIUZNSSK-KNQAVFIVSA-N 1 0 435.503 3.530 20 0 IHADRO Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973101 722147513 /nfs/dbraw/zinc/14/75/13/722147513.db2.gz AYAHOKARESBWEU-GCJKJVERSA-N 1 0 437.494 3.544 20 0 IHADRO FC(F)(N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975270 722156906 /nfs/dbraw/zinc/15/69/06/722156906.db2.gz QSBKRLHQQIJHCI-AZUAARDMSA-N 1 0 448.945 3.977 20 0 IHADRO C[NH+]1CCN(c2cccc(N3CCC4(CC3)CC(=O)N(CC3CC3)c3ccccc34)n2)CC1 ZINC001164974700 722161094 /nfs/dbraw/zinc/16/10/94/722161094.db2.gz PCXJVIIIUQIAJY-UHFFFAOYSA-N 1 0 445.611 3.518 20 0 IHADRO CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1=O ZINC001164981812 722163204 /nfs/dbraw/zinc/16/32/04/722163204.db2.gz SFFZFDSTSJSXKS-QFIPXVFZSA-N 1 0 444.913 3.781 20 0 IHADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)CC2 ZINC001164992020 722187733 /nfs/dbraw/zinc/18/77/33/722187733.db2.gz RJAYRBZAFDBUCA-FCHUYYIVSA-N 1 0 428.621 3.730 20 0 IHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH]1 ZINC001164994111 722203467 /nfs/dbraw/zinc/20/34/67/722203467.db2.gz GCCFJCUHJJWZJY-JOCHJYFZSA-N 1 0 443.910 3.782 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](OCCOC)[C@H]2Cc2cnn(C)c2)nc1 ZINC001164998741 722224987 /nfs/dbraw/zinc/22/49/87/722224987.db2.gz FECIZPKDHOXPBN-SMIHKQSGSA-N 1 0 441.620 3.605 20 0 IHADRO COc1ccc2c(c1)nc(Cl)cc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002168 722253372 /nfs/dbraw/zinc/25/33/72/722253372.db2.gz KLOOHEDMPCNIKD-UHFFFAOYSA-N 1 0 429.952 3.582 20 0 IHADRO Cc1nc2sc3c(c2c(N2CCCn4cnc(COCC[NH+](C)C)c4C2)n1)CCCC3 ZINC001165004961 722255969 /nfs/dbraw/zinc/25/59/69/722255969.db2.gz YSIKKMJNXBTFNT-UHFFFAOYSA-N 1 0 440.617 3.564 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CCC2 ZINC001165003399 722258114 /nfs/dbraw/zinc/25/81/14/722258114.db2.gz BWLQFUATRJKROF-UHFFFAOYSA-N 1 0 439.938 3.540 20 0 IHADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2)C(F)(F)F ZINC000604766037 1126099835 /nfs/dbraw/zinc/09/98/35/1126099835.db2.gz MZWAXACBMOHJGO-WMLDXEAASA-N 1 0 432.236 3.802 20 0 IHADRO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc(Br)c1O ZINC000673811989 1126104852 /nfs/dbraw/zinc/10/48/52/1126104852.db2.gz SPYZVRQJBBEWPZ-RHSMWYFYSA-N 1 0 434.252 3.787 20 0 IHADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c(Br)cncc1Br ZINC001177827750 1126150774 /nfs/dbraw/zinc/15/07/74/1126150774.db2.gz COQSCEZSTRFTNA-GFCCVEGCSA-N 1 0 439.151 3.781 20 0 IHADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(OC)cc3)cs2)cc1 ZINC001198218408 1126154476 /nfs/dbraw/zinc/15/44/76/1126154476.db2.gz GNQCAIMCWQDTLS-QHCPKHFHSA-N 1 0 426.538 3.689 20 0 IHADRO OC[C@@]1([NH2+]Cc2cncc(Br)c2)CCc2cc(Br)ccc2C1 ZINC001196104485 1126153467 /nfs/dbraw/zinc/15/34/67/1126153467.db2.gz MCUPNMNPBHTXIM-QGZVFWFLSA-N 1 0 426.152 3.616 20 0 IHADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001202009516 1126156566 /nfs/dbraw/zinc/15/65/66/1126156566.db2.gz IFMBEWZEBYSZGB-SFTDATJTSA-N 1 0 428.573 3.839 20 0 IHADRO Cc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cnc1Br ZINC001307927301 1126162001 /nfs/dbraw/zinc/16/20/01/1126162001.db2.gz AEPBDHSJFRBWSZ-GOSISDBHSA-N 1 0 440.179 3.925 20 0 IHADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001307928952 1126162078 /nfs/dbraw/zinc/16/20/78/1126162078.db2.gz PPRMXDMJUPWIJB-QHCPKHFHSA-N 1 0 445.401 3.845 20 0 IHADRO O=c1[nH]c2cc(F)ccc2cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001308463848 1126165954 /nfs/dbraw/zinc/16/59/54/1126165954.db2.gz HGNMZOVGYXQZDR-OAQYLSRUSA-N 1 0 431.305 3.852 20 0 IHADRO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cc12 ZINC001308465449 1126166120 /nfs/dbraw/zinc/16/61/20/1126166120.db2.gz WRTCDDNFPHFIJM-FQEVSTJZSA-N 1 0 449.780 3.702 20 0 IHADRO OC[C@@]1([NH2+]Cc2csc(-c3ccccn3)n2)CCc2cc(Br)ccc2C1 ZINC001460424855 1126191169 /nfs/dbraw/zinc/19/11/69/1126191169.db2.gz UINZLEVSSIRDJM-HXUWFJFHSA-N 1 0 430.371 3.977 20 0 IHADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474115196 1126201770 /nfs/dbraw/zinc/20/17/70/1126201770.db2.gz ZZZQSIHPBXTBII-LEWJYISDSA-N 1 0 428.573 3.839 20 0 IHADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474115197 1126201930 /nfs/dbraw/zinc/20/19/30/1126201930.db2.gz ZZZQSIHPBXTBII-NHCUHLMSSA-N 1 0 428.573 3.839 20 0 IHADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1Cl ZINC001620623734 1126241402 /nfs/dbraw/zinc/24/14/02/1126241402.db2.gz FUXVFKDXTJQTNP-IBGZPJMESA-N 1 0 426.738 3.972 20 0 IHADRO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000004214776 562942693 /nfs/dbraw/zinc/94/26/93/562942693.db2.gz RXAVJRAUFOPBOO-UHFFFAOYSA-N 1 0 437.540 3.727 20 0 in-man IHADRO c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164389459 718824396 /nfs/dbraw/zinc/82/43/96/718824396.db2.gz IOJWXDRHDPGVKC-RTWAWAEBSA-N 1 0 449.624 3.911 20 0 IHADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c(Cl)nn1 ZINC001164390504 718826008 /nfs/dbraw/zinc/82/60/08/718826008.db2.gz PGQDFCQOBHPHAK-HOCLYGCPSA-N 1 0 448.823 3.928 20 0 IHADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@H]3C2)c(Cl)nn1 ZINC001164390506 718826295 /nfs/dbraw/zinc/82/62/95/718826295.db2.gz PGQDFCQOBHPHAK-ZBFHGGJFSA-N 1 0 448.823 3.928 20 0 IHADRO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164400083 718844206 /nfs/dbraw/zinc/84/42/06/718844206.db2.gz PACVBCPOMXVBPJ-OAHLLOKOSA-N 1 0 429.902 3.589 20 0 IHADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164413598 718880095 /nfs/dbraw/zinc/88/00/95/718880095.db2.gz KEICEKOAXMBFPS-LBPRGKRZSA-N 1 0 439.860 3.928 20 0 IHADRO Fc1ccccc1-c1cc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)cnc1Cl ZINC001164424720 718918460 /nfs/dbraw/zinc/91/84/60/718918460.db2.gz OUQGJWCBADTOQM-FQEVSTJZSA-N 1 0 441.881 3.671 20 0 IHADRO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164426215 718919946 /nfs/dbraw/zinc/91/99/46/718919946.db2.gz YIBSUZGOLRKSOH-HXUWFJFHSA-N 1 0 429.939 3.913 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)ccc1C)C2 ZINC001164619283 719009626 /nfs/dbraw/zinc/00/96/26/719009626.db2.gz VKFFSIWVJVBAAP-MGPUTAFESA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3ccn4C3CCCC3)CC2)CC1 ZINC001164617930 719027860 /nfs/dbraw/zinc/02/78/60/719027860.db2.gz SEHRJZLXWLUIPV-UHFFFAOYSA-N 1 0 425.577 3.790 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc4ccc(OC)nc43)CC2)CC1 ZINC001164617523 719028099 /nfs/dbraw/zinc/02/80/99/719028099.db2.gz NRWGIIZGFPQXBJ-UHFFFAOYSA-N 1 0 432.952 3.536 20 0 IHADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164625282 719048472 /nfs/dbraw/zinc/04/84/72/719048472.db2.gz PDWDXWCDNUUGJB-BEVDRBHNSA-N 1 0 426.870 3.519 20 0 IHADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164620321 719049199 /nfs/dbraw/zinc/04/91/99/719049199.db2.gz GEMHVXWMHWZVLT-JXFKEZNVSA-N 1 0 431.874 3.913 20 0 IHADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623306 719050576 /nfs/dbraw/zinc/05/05/76/719050576.db2.gz MQZSWBRCAFUHGX-IFXJQAMLSA-N 1 0 435.931 3.954 20 0 IHADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c(Cl)nn1 ZINC001164620610 719126130 /nfs/dbraw/zinc/12/61/30/719126130.db2.gz IZJWOMUFFZCODC-WFASDCNBSA-N 1 0 426.870 3.864 20 0 IHADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164631029 719164384 /nfs/dbraw/zinc/16/43/84/719164384.db2.gz ADBJWIOTNRSGTE-IAGOWNOFSA-N 1 0 431.519 3.556 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@@H]32)nc1 ZINC001164677534 719545391 /nfs/dbraw/zinc/54/53/91/719545391.db2.gz FBLYXSKHTCYBKU-BXXSPATCSA-N 1 0 426.605 3.625 20 0 IHADRO CC(C)N(C)Cc1nn([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)c2c1CC[NH2+]C2 ZINC001164680228 719645179 /nfs/dbraw/zinc/64/51/79/719645179.db2.gz SOSFXEBQMRUJQX-QFIPXVFZSA-N 1 0 444.942 3.984 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4ccccc4n3)CC2)c2ccccc21 ZINC001164682999 719655050 /nfs/dbraw/zinc/65/50/50/719655050.db2.gz UMOCIVJLXHRKKL-OAQYLSRUSA-N 1 0 443.595 3.723 20 0 IHADRO Cc1cnc(Cl)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681044 719670454 /nfs/dbraw/zinc/67/04/54/719670454.db2.gz JAGQGBZUHNTLRD-SFHVURJKSA-N 1 0 442.007 3.532 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4cnccc43)CC2)c2ccccc21 ZINC001164684113 719673468 /nfs/dbraw/zinc/67/34/68/719673468.db2.gz SFGSUZMTACDKEA-OAQYLSRUSA-N 1 0 443.595 3.723 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C(C)(C)C)ncn3)CC2)c2ccccc21 ZINC001164680900 719677262 /nfs/dbraw/zinc/67/72/62/719677262.db2.gz IOIVIYHLLHBPAF-HXUWFJFHSA-N 1 0 449.643 3.868 20 0 IHADRO CSc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164686917 719677374 /nfs/dbraw/zinc/67/73/74/719677374.db2.gz ZAWRUWJWPWMKDW-IBGZPJMESA-N 1 0 438.641 3.897 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C4CCC4)ncn3)CC2)c2ccccc21 ZINC001164688213 719680810 /nfs/dbraw/zinc/68/08/10/719680810.db2.gz YARGLIPUXHJWBI-NRFANRHFSA-N 1 0 447.627 3.838 20 0 IHADRO CCCc1nccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686711 719682869 /nfs/dbraw/zinc/68/28/69/719682869.db2.gz PLJMHGYRJXGYDR-FQEVSTJZSA-N 1 0 435.616 3.523 20 0 IHADRO CCc1cc(CC)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684021 719682878 /nfs/dbraw/zinc/68/28/78/719682878.db2.gz GWNFZADTBIPMCN-HXUWFJFHSA-N 1 0 449.643 3.695 20 0 IHADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691943 719808575 /nfs/dbraw/zinc/80/85/75/719808575.db2.gz BBUOXJUQBFKXPH-UHFFFAOYSA-N 1 0 441.601 3.931 20 0 IHADRO COc1nc(-c2ccccc2)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692944 719810622 /nfs/dbraw/zinc/81/06/22/719810622.db2.gz OHBYSCMUNRRZHD-UHFFFAOYSA-N 1 0 436.585 3.947 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164809230 720076599 /nfs/dbraw/zinc/07/65/99/720076599.db2.gz IYVPMDCHXNIKQY-RDTXWAMCSA-N 1 0 432.968 3.582 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001164710208 720092934 /nfs/dbraw/zinc/09/29/34/720092934.db2.gz HEIHZSVMXWYPDS-KRWDZBQOSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164711002 720094752 /nfs/dbraw/zinc/09/47/52/720094752.db2.gz MSYMRQMFPSWJNK-INIZCTEOSA-N 1 0 444.942 3.653 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1OC)CC2 ZINC001164712056 720106463 /nfs/dbraw/zinc/10/64/63/720106463.db2.gz UROLYXTVDMQQRE-HXUWFJFHSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ncccc3nc1Cl)CC2 ZINC001164718087 720116237 /nfs/dbraw/zinc/11/62/37/720116237.db2.gz RPUJKYYNJGZXQX-SFHVURJKSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccncc3)nc(C)n1)CC2 ZINC001164710525 720147276 /nfs/dbraw/zinc/14/72/76/720147276.db2.gz CBOGMWSGTUNRNY-QHCPKHFHSA-N 1 0 444.583 3.750 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)C2 ZINC001164816826 720154650 /nfs/dbraw/zinc/15/46/50/720154650.db2.gz NANJLZXTBXIDHJ-HOFKKMOUSA-N 1 0 444.579 3.910 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164816262 720156438 /nfs/dbraw/zinc/15/64/38/720156438.db2.gz KNISMUBISJGAEE-MWTRTKDXSA-N 1 0 425.964 3.949 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)C2 ZINC001164816861 720172574 /nfs/dbraw/zinc/17/25/74/720172574.db2.gz NMHCEFUEFGRYQQ-CJFMBICVSA-N 1 0 433.556 3.778 20 0 IHADRO Cc1csc2c1nc(Cl)cc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164713404 720190313 /nfs/dbraw/zinc/19/03/13/720190313.db2.gz BRCOCHNEQNDGNU-KRWDZBQOSA-N 1 0 447.008 3.603 20 0 IHADRO Cc1ccc2c(C)cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2c1C ZINC001164717194 720198823 /nfs/dbraw/zinc/19/88/23/720198823.db2.gz USJNVSIWXFOWPL-JOCHJYFZSA-N 1 0 434.588 3.505 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ncc2-c2ccccc2)CC1 ZINC001164834323 720319771 /nfs/dbraw/zinc/31/97/71/720319771.db2.gz ZDQBBUAMVHOFJH-RTWAWAEBSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2c(Cl)ncc(Cl)c2Cl)CC1 ZINC001164829472 720320838 /nfs/dbraw/zinc/32/08/38/720320838.db2.gz MQRKNRCDCASGRV-GJZGRUSLSA-N 1 0 431.795 3.953 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1 ZINC001164821754 720336620 /nfs/dbraw/zinc/33/66/20/720336620.db2.gz BSBYLDMCSFLCQS-UXHICEINSA-N 1 0 441.664 3.983 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1 ZINC001164821755 720337176 /nfs/dbraw/zinc/33/71/76/720337176.db2.gz BSBYLDMCSFLCQS-VQTJNVASSA-N 1 0 441.664 3.983 20 0 IHADRO O=C(c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729820 720351904 /nfs/dbraw/zinc/35/19/04/720351904.db2.gz YLHWSQOQYWDPDK-PMACEKPBSA-N 1 0 425.964 3.609 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc3c(F)cccc23)CC1 ZINC001164831135 720353415 /nfs/dbraw/zinc/35/34/15/720353415.db2.gz XTNAGJAVFHELER-RTBURBONSA-N 1 0 430.955 3.939 20 0 IHADRO Clc1nc2c(c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)C2 ZINC001164726660 720359622 /nfs/dbraw/zinc/35/96/22/720359622.db2.gz QYANJMKWOPGJIC-DHIUTWEWSA-N 1 0 446.986 3.894 20 0 IHADRO C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@]4(CCN(c5ccccc5)C4)C3)n2)CC1 ZINC001164820968 720394846 /nfs/dbraw/zinc/39/48/46/720394846.db2.gz DIDOUBMDOWJJOR-QHCPKHFHSA-N 1 0 427.543 3.576 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@@H]21 ZINC001164840010 720510267 /nfs/dbraw/zinc/51/02/67/720510267.db2.gz VTMUZNKMJIRCMY-DZKIICNBSA-N 1 0 445.345 3.903 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)C1 ZINC001164726711 720516911 /nfs/dbraw/zinc/51/69/11/720516911.db2.gz DCLPZSJQXZQDSI-GFCCVEGCSA-N 1 0 441.313 3.876 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)OC(C)(C)C)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836733 720517016 /nfs/dbraw/zinc/51/70/16/720517016.db2.gz NNYOJINAUVVWPD-QHAWAJNXSA-N 1 0 425.577 3.611 20 0 IHADRO CCc1ccccc1Oc1nc(Cl)ncc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164733675 720532904 /nfs/dbraw/zinc/53/29/04/720532904.db2.gz FBGWXKHRJSNHLY-INIZCTEOSA-N 1 0 426.952 3.879 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)C1 ZINC001164736458 720533208 /nfs/dbraw/zinc/53/32/08/720533208.db2.gz YMVDWWZDSSXBRO-CQSZACIVSA-N 1 0 433.343 3.970 20 0 IHADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc2ncnc(Cl)c2n1 ZINC001164734356 720545254 /nfs/dbraw/zinc/54/52/54/720545254.db2.gz IBERREJLFMMEEH-CYBMUJFWSA-N 1 0 425.911 3.739 20 0 IHADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837321 720556591 /nfs/dbraw/zinc/55/65/91/720556591.db2.gz LQIBCIQXNQZJOG-NLWGTHIKSA-N 1 0 445.995 3.794 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842535 720577355 /nfs/dbraw/zinc/57/73/55/720577355.db2.gz YCRJUNFMKTYECC-OKZBNKHCSA-N 1 0 442.999 3.635 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(-c4ccc(N(C)C)cc4)n3)CC[C@@H]21 ZINC001164843561 720583876 /nfs/dbraw/zinc/58/38/76/720583876.db2.gz YEFXMVFHAWLWDJ-RSEQLOHWSA-N 1 0 445.615 3.784 20 0 IHADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736136 720583894 /nfs/dbraw/zinc/58/38/94/720583894.db2.gz DOBXOOVIJLENIW-UHFFFAOYSA-N 1 0 432.906 3.683 20 0 IHADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164842242 720588719 /nfs/dbraw/zinc/58/87/19/720588719.db2.gz UWSKGCIKVYAZKI-HHXXYDBFSA-N 1 0 427.984 3.748 20 0 IHADRO c1cc2c(nc(-c3ccncc3)nc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)s1 ZINC001164736700 720591418 /nfs/dbraw/zinc/59/14/18/720591418.db2.gz RDVQMOQNARLXRS-UHFFFAOYSA-N 1 0 431.569 3.608 20 0 IHADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164836325 720592513 /nfs/dbraw/zinc/59/25/13/720592513.db2.gz FTCGCAWHROYDJR-DNVJHFABSA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc4nc(Cl)cnc4cc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841242 720617417 /nfs/dbraw/zinc/61/74/17/720617417.db2.gz RTXJDAMEKRSCBX-GQIGUUNPSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(Oc4ccc(F)cc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840610 720618468 /nfs/dbraw/zinc/61/84/68/720618468.db2.gz PXRJMIXJGSNZHU-RCZSKKKRSA-N 1 0 436.535 3.982 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4nc(Cl)cnc4cc3F)CC[C@@H]21 ZINC001164841239 720618534 /nfs/dbraw/zinc/61/85/34/720618534.db2.gz RTXJDAMEKRSCBX-FTRWYGJKSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2)n1 ZINC001164835995 720625865 /nfs/dbraw/zinc/62/58/65/720625865.db2.gz DTPJMCHGQPWGJI-NJDAHSKKSA-N 1 0 435.576 3.829 20 0 IHADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835989 720631273 /nfs/dbraw/zinc/63/12/73/720631273.db2.gz DPHMFPNBURLGBV-TZRRMPRUSA-N 1 0 446.599 3.938 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(F)ccc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164842613 720648078 /nfs/dbraw/zinc/64/80/78/720648078.db2.gz SOUZZQGYRQKXIT-GJYPPUQNSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C(N)=S)c4ccsc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843192 720650105 /nfs/dbraw/zinc/65/01/05/720650105.db2.gz URYNYTHQRHCIQK-TXPKVOOTSA-N 1 0 440.642 3.505 20 0 IHADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737308 720680304 /nfs/dbraw/zinc/68/03/04/720680304.db2.gz FKFNUQLYUHVCSU-IRXDYDNUSA-N 1 0 431.874 3.565 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164843859 720691990 /nfs/dbraw/zinc/69/19/90/720691990.db2.gz RLVLYNWQFJUAHM-QFIPXVFZSA-N 1 0 436.600 3.870 20 0 IHADRO Clc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164752615 720814867 /nfs/dbraw/zinc/81/48/67/720814867.db2.gz ZIPOMQICYKLVOQ-UNWVZKJWSA-N 1 0 449.990 3.768 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164737363 720821304 /nfs/dbraw/zinc/82/13/04/720821304.db2.gz AJTOVBZPDKBXFM-LZLYRXPVSA-N 1 0 444.008 3.624 20 0 IHADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749688 720835981 /nfs/dbraw/zinc/83/59/81/720835981.db2.gz WPUUAUSLSVFVIT-FGTMMUONSA-N 1 0 436.938 3.559 20 0 IHADRO COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164743093 720836980 /nfs/dbraw/zinc/83/69/80/720836980.db2.gz IOJSDZFRSSCYME-JXALWOEJSA-N 1 0 432.572 3.523 20 0 IHADRO Clc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164740024 720837270 /nfs/dbraw/zinc/83/72/70/720837270.db2.gz BOXCESKIIFGBSQ-SFYKDHMMSA-N 1 0 449.990 3.768 20 0 IHADRO Cc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740548 720839426 /nfs/dbraw/zinc/83/94/26/720839426.db2.gz CSLHBEHXTOVHMC-QWFCFKBJSA-N 1 0 437.979 3.563 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC[C@@H]2C1 ZINC001164854718 720845949 /nfs/dbraw/zinc/84/59/49/720845949.db2.gz RSWBMMMVIKSRDI-GHMZBOCLSA-N 1 0 429.175 3.869 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)CC[C@@H]2C1 ZINC001164854011 720865223 /nfs/dbraw/zinc/86/52/23/720865223.db2.gz HZLIEEIMOMHAEW-KDOFPFPSSA-N 1 0 440.371 3.724 20 0 IHADRO c1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747935 720872670 /nfs/dbraw/zinc/87/26/70/720872670.db2.gz CPKULKUBRBBLGA-ATIYNZHBSA-N 1 0 429.568 3.780 20 0 IHADRO Fc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164748485 720875519 /nfs/dbraw/zinc/87/55/19/720875519.db2.gz FNYOADVEPVHRBY-HFZDXXHNSA-N 1 0 447.558 3.919 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4sc(C)c(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164859145 720876454 /nfs/dbraw/zinc/87/64/54/720876454.db2.gz LUDZRJMQFHCIHX-WOJBJXKFSA-N 1 0 438.597 3.840 20 0 IHADRO Cc1nnc(Cl)cc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751529 720879032 /nfs/dbraw/zinc/87/90/32/720879032.db2.gz KUYLDEZTMVMIDS-NZQKXSOJSA-N 1 0 427.980 3.589 20 0 IHADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164750771 720879042 /nfs/dbraw/zinc/87/90/42/720879042.db2.gz JTDZRJQPYQYPOA-NFBKMPQASA-N 1 0 427.980 3.589 20 0 IHADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164750774 720879499 /nfs/dbraw/zinc/87/94/99/720879499.db2.gz JTDZRJQPYQYPOA-NZQKXSOJSA-N 1 0 427.980 3.589 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(C)s4)nc4ccccc43)CC[C@H]2C1 ZINC001164865272 720879732 /nfs/dbraw/zinc/87/97/32/720879732.db2.gz ZLXDMBBMPCNJFK-RXVVDRJESA-N 1 0 438.597 3.840 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC[C@H]2C1 ZINC001164861623 720881852 /nfs/dbraw/zinc/88/18/52/720881852.db2.gz PWHLKAMDILYOCM-AHWVRZQESA-N 1 0 444.579 3.984 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4Cl)nc(C)c3C)CC[C@H]2C1 ZINC001164861733 720882511 /nfs/dbraw/zinc/88/25/11/720882511.db2.gz QBOOKKDYGQCBLN-GHTZIAJQSA-N 1 0 430.980 3.587 20 0 IHADRO CC(C)(C)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757762 720885005 /nfs/dbraw/zinc/88/50/05/720885005.db2.gz VLJREPGPGPHUHT-GJZUVCINSA-N 1 0 435.616 3.924 20 0 IHADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c1 ZINC001164864437 720888664 /nfs/dbraw/zinc/88/86/64/720888664.db2.gz VTBMFPHMWXKPDZ-GHTZIAJQSA-N 1 0 446.979 3.658 20 0 IHADRO Cc1[nH]c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164753980 720892128 /nfs/dbraw/zinc/89/21/28/720892128.db2.gz HZZNKGIJWKYTHQ-GJZUVCINSA-N 1 0 446.599 3.725 20 0 IHADRO CCCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)n1 ZINC001164756851 720897268 /nfs/dbraw/zinc/89/72/68/720897268.db2.gz RQJAXMKQFKKOTB-BVAGGSTKSA-N 1 0 435.616 3.888 20 0 IHADRO Fc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2[nH]ccc21 ZINC001164757886 720902648 /nfs/dbraw/zinc/90/26/48/720902648.db2.gz WBLNTHIFIPQLDF-NLFFAJNJSA-N 1 0 435.547 3.852 20 0 IHADRO Fc1nc(F)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)n1 ZINC001164748579 720907268 /nfs/dbraw/zinc/90/72/68/720907268.db2.gz HBWYUXHLSIFQLD-VGSWGCGISA-N 1 0 449.933 3.558 20 0 IHADRO CCSc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748471 720918331 /nfs/dbraw/zinc/91/83/31/720918331.db2.gz GFCODBUKVGALEK-QPPBQGQZSA-N 1 0 439.629 3.739 20 0 IHADRO c1coc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164751310 720920863 /nfs/dbraw/zinc/92/08/63/720920863.db2.gz LFNJDTSQPNIDDH-BKMJKUGQSA-N 1 0 445.567 3.887 20 0 IHADRO C[C@@H]1CCc2nnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2C1 ZINC001164754232 720928863 /nfs/dbraw/zinc/92/88/63/720928863.db2.gz UVXOPIFHQXINEY-ZJSFPPFMSA-N 1 0 447.627 3.752 20 0 IHADRO COc1cc2nc(Cl)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2cc1OC ZINC001164861253 720948109 /nfs/dbraw/zinc/94/81/09/720948109.db2.gz SEWCMSFOPPYTHO-CQSZACIVSA-N 1 0 444.967 3.918 20 0 IHADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862529 720982614 /nfs/dbraw/zinc/98/26/14/720982614.db2.gz SVYPKTRZZQWMRO-SFHVURJKSA-N 1 0 449.603 3.634 20 0 IHADRO CCn1nnc2c1CCN(c1ncccc1C[NH+]1CCCC1)[C@@H]2COCc1ccccc1 ZINC001164774804 721049431 /nfs/dbraw/zinc/04/94/31/721049431.db2.gz YKDNRRKNQRJFCQ-HSZRJFAPSA-N 1 0 432.572 3.609 20 0 IHADRO Clc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866719 721078658 /nfs/dbraw/zinc/07/86/58/721078658.db2.gz UTCMFFNJPXYZCZ-HZPDHXFCSA-N 1 0 430.339 3.811 20 0 IHADRO Clc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864926 721085441 /nfs/dbraw/zinc/08/54/41/721085441.db2.gz HNVODNLBIWBOPR-DLBZAZTESA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C[C@H]3C2)cn1 ZINC001164769295 721090106 /nfs/dbraw/zinc/09/01/06/721090106.db2.gz OKPBVEZYAYATIN-JKSUJKDBSA-N 1 0 432.906 3.520 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)C[C@@H]3C2)cn1 ZINC001164763002 721095176 /nfs/dbraw/zinc/09/51/76/721095176.db2.gz FVHXYSFSTYEWLQ-KGLIPLIRSA-N 1 0 438.935 3.581 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164773242 721110480 /nfs/dbraw/zinc/11/04/80/721110480.db2.gz XKBMJHAHQNAHBD-CVEARBPZSA-N 1 0 432.906 3.520 20 0 IHADRO Clc1ccc2[nH]c3ncnc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3c2c1 ZINC001164877009 721132153 /nfs/dbraw/zinc/13/21/53/721132153.db2.gz NUMTWPOJPAOLDJ-MSOLQXFVSA-N 1 0 434.931 3.639 20 0 IHADRO CSc1ccc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164772288 721150691 /nfs/dbraw/zinc/15/06/91/721150691.db2.gz VGAFTVPFWAZJPX-HUUCEWRRSA-N 1 0 427.952 3.694 20 0 IHADRO Fc1ccc(-c2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164881097 721159095 /nfs/dbraw/zinc/15/90/95/721159095.db2.gz ZASNMXSUKKBVHO-UXHICEINSA-N 1 0 439.922 3.811 20 0 IHADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868261 721188069 /nfs/dbraw/zinc/18/80/69/721188069.db2.gz LJLNTONEJKFBDT-JKSUJKDBSA-N 1 0 426.920 3.748 20 0 IHADRO FC(F)(N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164870833 721191462 /nfs/dbraw/zinc/19/14/62/721191462.db2.gz WMJXPGYNVMUUEJ-OALUTQOASA-N 1 0 434.918 3.730 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@@H]3C2)cn1 ZINC001164772376 721196497 /nfs/dbraw/zinc/19/64/97/721196497.db2.gz UGCJOZVCZWHTRG-IRXDYDNUSA-N 1 0 442.926 3.753 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@@H]3C2)cn1 ZINC001164767006 721215252 /nfs/dbraw/zinc/21/52/52/721215252.db2.gz JWBRAVIFULROQV-ROUUACIJSA-N 1 0 426.927 3.628 20 0 IHADRO O=C(NC[C@H]1CCC[C@@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)O1)c1ccccc1 ZINC001164878739 721258564 /nfs/dbraw/zinc/25/85/64/721258564.db2.gz VEWBSPJCSNWWDQ-BVAGGSTKSA-N 1 0 434.584 3.625 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164876780 721329977 /nfs/dbraw/zinc/32/99/77/721329977.db2.gz QBRZGWAUFQBCMO-SFTDATJTSA-N 1 0 445.571 3.944 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(C(C)(C)C)n3)C2)C1 ZINC001164781440 721368491 /nfs/dbraw/zinc/36/84/91/721368491.db2.gz JDERWYZHZLXQAD-XMMPIXPASA-N 1 0 427.593 3.806 20 0 IHADRO Cc1ccc2nc(Cl)cc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164886163 721401134 /nfs/dbraw/zinc/40/11/34/721401134.db2.gz HVKNIYWPWXZKTD-YADARESESA-N 1 0 429.008 3.962 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4c(Cl)ncc(Cl)c4Cl)C3)O2)CC1 ZINC001164887228 721414812 /nfs/dbraw/zinc/41/48/12/721414812.db2.gz LPQLFQWBPRJLAK-AUUYWEPGSA-N 1 0 433.811 3.807 20 0 IHADRO Cc1ccc(F)c2cc(C)c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc12 ZINC001164891977 721421514 /nfs/dbraw/zinc/42/15/14/721421514.db2.gz XMMIKNWVBJNSLM-CPJSRVTESA-N 1 0 426.580 3.756 20 0 IHADRO Cc1cc2nc(Cl)c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2cc1C ZINC001164890475 721421960 /nfs/dbraw/zinc/42/19/60/721421960.db2.gz SSELRNJUYJEBJO-NTKDMRAZSA-N 1 0 444.023 3.665 20 0 IHADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2cc(Cl)ccc12 ZINC001164891078 721422073 /nfs/dbraw/zinc/42/20/73/721422073.db2.gz VCANEVJFQFUUAE-YKSBVNFPSA-N 1 0 429.008 3.962 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164887764 721423226 /nfs/dbraw/zinc/42/32/26/721423226.db2.gz NJHOYRVDAZAWDX-RDPSFJRHSA-N 1 0 445.007 3.662 20 0 IHADRO CCCCOc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164893681 721428982 /nfs/dbraw/zinc/42/89/82/721428982.db2.gz JYFPFFLTLOQLJU-CVDCTZTESA-N 1 0 437.028 3.679 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892331 721432755 /nfs/dbraw/zinc/43/27/55/721432755.db2.gz IELJWKUQDGFKHM-FNZWTVRRSA-N 1 0 443.680 3.837 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890238 721445762 /nfs/dbraw/zinc/44/57/62/721445762.db2.gz CQOYYNQJAKIGAC-MBSDFSHPSA-N 1 0 432.971 3.793 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5cccc(F)c54)C3)O2)CC1 ZINC001164893315 721453216 /nfs/dbraw/zinc/45/32/16/721453216.db2.gz ZBLOMAZUYNGOOA-MBSDFSHPSA-N 1 0 432.971 3.793 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164790212 721454900 /nfs/dbraw/zinc/45/49/00/721454900.db2.gz XJHOCPBXOKEPPN-QFIPXVFZSA-N 1 0 439.600 3.977 20 0 IHADRO CCc1cc2c(ncnc2N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)s1 ZINC001164789312 721458791 /nfs/dbraw/zinc/45/87/91/721458791.db2.gz WVBLVTWWKAUOSY-IBGZPJMESA-N 1 0 444.645 3.988 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164782788 721461783 /nfs/dbraw/zinc/46/17/83/721461783.db2.gz BVMLYEGDENFZMU-QFIPXVFZSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164790120 721468083 /nfs/dbraw/zinc/46/80/83/721468083.db2.gz RBIJIIVZVDHZNF-HXUWFJFHSA-N 1 0 442.629 3.939 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164789507 721470793 /nfs/dbraw/zinc/47/07/93/721470793.db2.gz NGGHBXBEUSDNLO-NRFANRHFSA-N 1 0 442.629 3.939 20 0 IHADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791189 721491144 /nfs/dbraw/zinc/49/11/44/721491144.db2.gz CGCUAUHJONOKEQ-UHFFFAOYSA-N 1 0 431.540 3.692 20 0 IHADRO CN(C)C(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(Cl)c1 ZINC001164796003 721500787 /nfs/dbraw/zinc/50/07/87/721500787.db2.gz OVGXIMJZVLNJQJ-UHFFFAOYSA-N 1 0 427.980 3.713 20 0 IHADRO O=C(NC1CCCCC1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900100 721514998 /nfs/dbraw/zinc/51/49/98/721514998.db2.gz OAOPAOQQPUSGSF-UNMCSNQZSA-N 1 0 438.547 3.625 20 0 IHADRO COc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164908321 721538206 /nfs/dbraw/zinc/53/82/06/721538206.db2.gz PTKNJVMBTOMTJW-DOTOQJQBSA-N 1 0 428.895 3.773 20 0 IHADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911334 721540070 /nfs/dbraw/zinc/54/00/70/721540070.db2.gz WIBMMGZPTJMSRF-QUCCMNQESA-N 1 0 446.954 3.698 20 0 IHADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911329 721540168 /nfs/dbraw/zinc/54/01/68/721540168.db2.gz WIBMMGZPTJMSRF-AZUAARDMSA-N 1 0 446.954 3.698 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC[N@@H+]3C2)c1 ZINC001164907370 721548194 /nfs/dbraw/zinc/54/81/94/721548194.db2.gz NFAVOVRKWLUPQC-RDJZCZTQSA-N 1 0 449.864 3.704 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804499 721552253 /nfs/dbraw/zinc/55/22/53/721552253.db2.gz KBCUOZIOMXYVRC-LQWHRVPQSA-N 1 0 439.947 3.555 20 0 IHADRO COc1ccc2nc(Cl)cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2n1 ZINC001164808023 721558120 /nfs/dbraw/zinc/55/81/20/721558120.db2.gz ULFGYNVBKLEFCS-HFJQGTKSSA-N 1 0 439.947 3.555 20 0 IHADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909211 721562147 /nfs/dbraw/zinc/56/21/47/721562147.db2.gz SYPNUVWMOMZDSQ-IFMALSPDSA-N 1 0 447.514 3.518 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2F)[C@@H]2CCCO[C@H]12 ZINC001164807514 721583141 /nfs/dbraw/zinc/58/31/41/721583141.db2.gz OHVQEDQUEKKOSE-UZKOGDIHSA-N 1 0 427.911 3.686 20 0 IHADRO CCOC(=O)c1cc(F)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907029 721587582 /nfs/dbraw/zinc/58/75/82/721587582.db2.gz QKIPIYSBWAPAGM-NRFANRHFSA-N 1 0 434.462 3.530 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808077 721588272 /nfs/dbraw/zinc/58/82/72/721588272.db2.gz PVAARGCHZQMUPL-SVFBPWRDSA-N 1 0 429.996 3.900 20 0 IHADRO C[NH+](C)Cc1ccnc(N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)c1 ZINC001164803842 721605686 /nfs/dbraw/zinc/60/56/86/721605686.db2.gz WNZNEVIMMPNJLU-JOCHJYFZSA-N 1 0 427.936 3.551 20 0 IHADRO FC(F)(c1cnc(Cl)nc1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904336 721692059 /nfs/dbraw/zinc/69/20/59/721692059.db2.gz FRCVPGFGECARAA-QGZVFWFLSA-N 1 0 429.849 3.808 20 0 IHADRO COc1cccc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903638 721692561 /nfs/dbraw/zinc/69/25/61/721692561.db2.gz BBGFHNHPDDJLBM-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO FC(F)(c1cnnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904150 721705195 /nfs/dbraw/zinc/70/51/95/721705195.db2.gz AGDPVTWVUWBSRZ-QGZVFWFLSA-N 1 0 429.849 3.808 20 0 IHADRO COc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc2c1 ZINC001164907321 721708078 /nfs/dbraw/zinc/70/80/78/721708078.db2.gz QTBLMESSCWKPMX-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906632 721711128 /nfs/dbraw/zinc/71/11/28/721711128.db2.gz NJUSSCWOEXOOFX-JOCHJYFZSA-N 1 0 445.514 3.565 20 0 IHADRO COc1cc2c(cc1F)ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906459 721714796 /nfs/dbraw/zinc/71/47/96/721714796.db2.gz MBFJKLDWAHEWQC-JOCHJYFZSA-N 1 0 443.473 3.910 20 0 IHADRO CCOCc1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906507 721720206 /nfs/dbraw/zinc/72/02/06/721720206.db2.gz MMFZSCQTDFHINR-FQEVSTJZSA-N 1 0 437.922 3.799 20 0 IHADRO CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001165008460 721728157 /nfs/dbraw/zinc/72/81/57/721728157.db2.gz OTNMVKRCHBQKGX-OAQYLSRUSA-N 1 0 438.950 3.884 20 0 IHADRO FC1(F)CCN(c2ccnc(-c3nccs3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913816 721737593 /nfs/dbraw/zinc/73/75/93/721737593.db2.gz YCMMRSVWLIJJDH-FQEVSTJZSA-N 1 0 428.512 3.733 20 0 IHADRO CCOC(=O)c1c[nH]c2cc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)[nH+]cc21 ZINC001164910731 721760023 /nfs/dbraw/zinc/76/00/23/721760023.db2.gz QUIGTEONVAVVNC-UHFFFAOYSA-N 1 0 445.523 3.922 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)nc1 ZINC001165021762 721782776 /nfs/dbraw/zinc/78/27/76/721782776.db2.gz PKASFGICLMDLHR-FVEXOFTDSA-N 1 0 439.604 3.668 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165021854 721785276 /nfs/dbraw/zinc/78/52/76/721785276.db2.gz PTZUXWNJYNFUAL-WIOPSUGQSA-N 1 0 434.588 3.832 20 0 IHADRO c1ccc(C[N@@H+]2CCc3nc(N4CC[C@]5(C[C@@H](Oc6cccnc6)CO5)C4)ccc3C2)cc1 ZINC001164915038 721805583 /nfs/dbraw/zinc/80/55/83/721805583.db2.gz HGCNZMGQMXYWAA-SQHAQQRYSA-N 1 0 442.563 3.852 20 0 IHADRO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncc21 ZINC001165025907 721807232 /nfs/dbraw/zinc/80/72/32/721807232.db2.gz PVIPZFTWCRJGOL-AMHTUMDSSA-N 1 0 431.540 3.548 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@@H]21 ZINC001165023318 721807893 /nfs/dbraw/zinc/80/78/93/721807893.db2.gz JGNJUSYICMOVSN-YSIASYRMSA-N 1 0 438.576 3.956 20 0 IHADRO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027395 721816617 /nfs/dbraw/zinc/81/66/17/721816617.db2.gz UQUQWPDQRPLVEW-ACIOBRDBSA-N 1 0 443.599 3.737 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@@H]21 ZINC001165022360 721824248 /nfs/dbraw/zinc/82/42/48/721824248.db2.gz HABJEYDOTDAXJD-CWRNSKLLSA-N 1 0 447.921 3.635 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@H]21 ZINC001165023962 721824962 /nfs/dbraw/zinc/82/49/62/721824962.db2.gz IXCYDPJRFMZCCK-CGTJXYLNSA-N 1 0 437.922 3.729 20 0 IHADRO COc1cc(OC)c2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165022170 721831334 /nfs/dbraw/zinc/83/13/34/721831334.db2.gz GMHYZGSCSHXMLD-MTNREXPMSA-N 1 0 433.556 3.779 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3cnccc32)CC1 ZINC001165022469 721840060 /nfs/dbraw/zinc/84/00/60/721840060.db2.gz TVLSIHFONYUQAB-UHFFFAOYSA-N 1 0 427.936 3.796 20 0 IHADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)n2)cc1 ZINC001164930475 721856280 /nfs/dbraw/zinc/85/62/80/721856280.db2.gz SDSLVOBMAWNPLJ-PKTZIBPZSA-N 1 0 435.547 3.659 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923130 721866635 /nfs/dbraw/zinc/86/66/35/721866635.db2.gz IHQHRBNCFNBAHP-LSDHHAIUSA-N 1 0 430.330 3.696 20 0 IHADRO COC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ncc1Cl ZINC001164938243 721921589 /nfs/dbraw/zinc/92/15/89/721921589.db2.gz JYZANUXGZGSYKZ-UHFFFAOYSA-N 1 0 429.948 3.701 20 0 IHADRO COc1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2cc1OC ZINC001164941054 721922782 /nfs/dbraw/zinc/92/27/82/721922782.db2.gz ZXCJSKUTHNVZEF-UHFFFAOYSA-N 1 0 448.567 3.827 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5ncsc54)CC3)C2)cc1 ZINC001164939384 721926725 /nfs/dbraw/zinc/92/67/25/721926725.db2.gz LDFOJNMWIWAMFI-UHFFFAOYSA-N 1 0 429.977 3.920 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(C(=O)OC(C)(C)C)n4)CC3)C2)cc1 ZINC001164938993 721927025 /nfs/dbraw/zinc/92/70/25/721927025.db2.gz GGWUQBFHNYYWDR-UHFFFAOYSA-N 1 0 438.572 3.612 20 0 IHADRO C[NH+](C)CC1CCN(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)CC1 ZINC001165042854 721951010 /nfs/dbraw/zinc/95/10/10/721951010.db2.gz TYXCGQBBRIZOGA-UHFFFAOYSA-N 1 0 426.895 3.912 20 0 IHADRO Fc1ccccc1N1CCN(c2cc(N3CCCC[C@@H]3CC[NH+]3CCCC3)ncn2)CC1 ZINC001165048735 721976181 /nfs/dbraw/zinc/97/61/81/721976181.db2.gz KXCMXRRGOGSQDE-OAQYLSRUSA-N 1 0 438.595 3.787 20 0 IHADRO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ncccc2C[NH+]2CCCC2)C3)n1 ZINC001164959677 722027368 /nfs/dbraw/zinc/02/73/68/722027368.db2.gz ICNWFAUQUGUYDL-AHWVRZQESA-N 1 0 436.600 3.973 20 0 IHADRO CSc1nc2sccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961256 722053146 /nfs/dbraw/zinc/05/31/46/722053146.db2.gz WUFRREIJHYTOQO-UHFFFAOYSA-N 1 0 441.626 3.927 20 0 IHADRO Cc1cncc(COCc2cnc3n2CCN(c2ccc(C[NH+]4CCCC4)cn2)[C@H]3C)c1 ZINC001164966437 722063351 /nfs/dbraw/zinc/06/33/51/722063351.db2.gz SVWINTRVADWZLO-FQEVSTJZSA-N 1 0 432.572 3.875 20 0 IHADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972426 722116628 /nfs/dbraw/zinc/11/66/28/722116628.db2.gz FEOQEWWLGSNNIM-YJBOKZPZSA-N 1 0 426.870 3.541 20 0 IHADRO Clc1cc(Cc2ccccc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982825 722133386 /nfs/dbraw/zinc/13/33/86/722133386.db2.gz SURPYVROJGEIQY-GGAORHGYSA-N 1 0 449.986 3.843 20 0 IHADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983377 722143189 /nfs/dbraw/zinc/14/31/89/722143189.db2.gz USSITKPTZMIKJB-YLJYHZDGSA-N 1 0 449.933 3.675 20 0 IHADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980952 722146632 /nfs/dbraw/zinc/14/66/32/722146632.db2.gz OAUPTISWGLZOBL-KKSFZXQISA-N 1 0 427.911 3.545 20 0 IHADRO Fc1ccc2c(Cl)nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981668 722150240 /nfs/dbraw/zinc/15/02/40/722150240.db2.gz PYVACZFUNMQJID-OXJNMPFZSA-N 1 0 427.911 3.545 20 0 IHADRO c1ccc(CSc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973328 722151471 /nfs/dbraw/zinc/15/14/71/722151471.db2.gz BTGYXFCQXZILRI-DHIUTWEWSA-N 1 0 447.608 3.891 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971713 722153920 /nfs/dbraw/zinc/15/39/20/722153920.db2.gz DIUWGJXHQILCEF-ZJSXRUAMSA-N 1 0 433.531 3.713 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972732 722154540 /nfs/dbraw/zinc/15/45/40/722154540.db2.gz JEDDDJXGLRNSTA-PMACEKPBSA-N 1 0 427.980 3.828 20 0 IHADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc4ccccc4nc2N2CCOCC2)C3)c1 ZINC001164992889 722198880 /nfs/dbraw/zinc/19/88/80/722198880.db2.gz BZZVEOQKHIVZKK-AREMUKBSSA-N 1 0 447.558 3.850 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001165000372 722220410 /nfs/dbraw/zinc/22/04/10/722220410.db2.gz WRHHSVPNTDQGLU-HFZDXXHNSA-N 1 0 448.567 3.991 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccccc3c(-c3ccccc3)n1)CCC2 ZINC001165000616 722252956 /nfs/dbraw/zinc/25/29/56/722252956.db2.gz USKQNMUBJCNZMB-UHFFFAOYSA-N 1 0 442.567 3.982 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(Cl)c(Cl)n1)CCC2 ZINC001165001854 722253377 /nfs/dbraw/zinc/25/33/77/722253377.db2.gz HJVNZIZKXOTVFT-UHFFFAOYSA-N 1 0 434.318 3.618 20 0 IHADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ncc(Br)cc1Br ZINC000542518328 1126096805 /nfs/dbraw/zinc/09/68/05/1126096805.db2.gz ZGWYIKNGIHQIFU-CYBMUJFWSA-N 1 0 439.151 3.781 20 0 IHADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000522537963 1126095929 /nfs/dbraw/zinc/09/59/29/1126095929.db2.gz OTOQAEXZPGGEQV-SFHVURJKSA-N 1 0 425.330 3.809 20 0 IHADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cnc2ccc(Br)cn12)C(F)(F)F ZINC000608057685 1126100678 /nfs/dbraw/zinc/10/06/78/1126100678.db2.gz ZFEJBMVSJYKCAN-RDJZCZTQSA-N 1 0 428.252 3.721 20 0 IHADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001175686222 1126148835 /nfs/dbraw/zinc/14/88/35/1126148835.db2.gz CSDPFZKXBRHJBE-RTWAWAEBSA-N 1 0 432.442 3.834 20 0 IHADRO OC[C@@]1([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCc2cc(Br)ccc2C1 ZINC001179148812 1126151563 /nfs/dbraw/zinc/15/15/63/1126151563.db2.gz WFQFAZXCMOSUFR-OAQYLSRUSA-N 1 0 430.321 3.784 20 0 IHADRO CCOc1c(OC)cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1OC ZINC001179277650 1126151873 /nfs/dbraw/zinc/15/18/73/1126151873.db2.gz LHHPAETWIAMACY-OAQYLSRUSA-N 1 0 438.362 3.948 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3cc(Br)ccc3o2)cc1OC ZINC001198228486 1126155586 /nfs/dbraw/zinc/15/55/86/1126155586.db2.gz GWOGSWKRKXBXSE-FQEVSTJZSA-N 1 0 435.318 3.691 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)cc1OC ZINC001203581834 1126159186 /nfs/dbraw/zinc/15/91/86/1126159186.db2.gz ZIENQJWEEXGFSK-FQEVSTJZSA-N 1 0 431.426 3.867 20 0 IHADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(OC)cc3)cs2)c1 ZINC001198218160 1126154648 /nfs/dbraw/zinc/15/46/48/1126154648.db2.gz DBPZTPKLVCEXCQ-QHCPKHFHSA-N 1 0 426.538 3.689 20 0 IHADRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)o2)cc1 ZINC001207460004 1126159825 /nfs/dbraw/zinc/15/98/25/1126159825.db2.gz QUUBUGLZYBCWAU-VWLOTQADSA-N 1 0 439.508 3.834 20 0 IHADRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)o2)cc1 ZINC001207459999 1126159936 /nfs/dbraw/zinc/15/99/36/1126159936.db2.gz QUUBUGLZYBCWAU-RUZDIDTESA-N 1 0 439.508 3.834 20 0 IHADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(I)cc1)C(F)(F)F ZINC001308040393 1126162942 /nfs/dbraw/zinc/16/29/42/1126162942.db2.gz VBNFEFGZRZWQIR-HZPDHXFCSA-N 1 0 435.227 3.915 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001460859349 1126192380 /nfs/dbraw/zinc/19/23/80/1126192380.db2.gz COYJXENXJJXJBJ-LJQANCHMSA-N 1 0 436.737 3.835 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC001460868609 1126192989 /nfs/dbraw/zinc/19/29/89/1126192989.db2.gz MQYYLCVWINIYOZ-LJQANCHMSA-N 1 0 435.753 3.767 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC001460868608 1126193012 /nfs/dbraw/zinc/19/30/12/1126193012.db2.gz MQYYLCVWINIYOZ-IBGZPJMESA-N 1 0 435.753 3.767 20 0 IHADRO Cc1cc(-c2noc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)n2)ccc1F ZINC001460421662 1126191160 /nfs/dbraw/zinc/19/11/60/1126191160.db2.gz HOPQZSZRWJQJMT-OAQYLSRUSA-N 1 0 446.320 3.956 20 0 IHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](CO)Cc1ccccc1C ZINC001462095217 1126197340 /nfs/dbraw/zinc/19/73/40/1126197340.db2.gz MJPKWYXIIGCYOY-KRWDZBQOSA-N 1 0 448.350 3.967 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccnc(-c3ccc(Br)cc3)n2)cc1 ZINC001620623916 1126241491 /nfs/dbraw/zinc/24/14/91/1126241491.db2.gz KGNAEZCXOWRDKD-QFIPXVFZSA-N 1 0 442.357 3.998 20 0 IHADRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000038845966 563098549 /nfs/dbraw/zinc/09/85/49/563098549.db2.gz ACVRIGSOUNTLCT-LBPRGKRZSA-N 1 0 428.373 3.783 20 0 IHADRO FC(F)(F)[C@@H]1N(c2ncnc3c2CCN(Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164387986 718814366 /nfs/dbraw/zinc/81/43/66/718814366.db2.gz LHLDFSKFSXEMCS-OAQYLSRUSA-N 1 0 431.506 3.546 20 0 IHADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164388910 718815736 /nfs/dbraw/zinc/81/57/36/718815736.db2.gz RMVNAKNXTKCCKZ-CYBMUJFWSA-N 1 0 442.816 3.883 20 0 IHADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164389142 718826701 /nfs/dbraw/zinc/82/67/01/718826701.db2.gz GVUFBUZYEQNDMZ-GDBMZVCRSA-N 1 0 448.823 3.928 20 0 IHADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164413596 718880145 /nfs/dbraw/zinc/88/01/45/718880145.db2.gz KEICEKOAXMBFPS-GFCCVEGCSA-N 1 0 439.860 3.928 20 0 IHADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423247 718914673 /nfs/dbraw/zinc/91/46/73/718914673.db2.gz GNTYXNMYENWQDJ-SFHVURJKSA-N 1 0 432.298 3.672 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)ccc1C)C2 ZINC001164619284 719009538 /nfs/dbraw/zinc/00/95/38/719009538.db2.gz VKFFSIWVJVBAAP-QRWLVFNGSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164620329 719014408 /nfs/dbraw/zinc/01/44/08/719014408.db2.gz YHYNJHGWWPSDKL-CIISACIHSA-N 1 0 430.282 3.816 20 0 IHADRO c1ccc(CN2CCc3ncnc(N4CC[C@]5(C[NH2+]C[C@@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618814 719044397 /nfs/dbraw/zinc/04/43/97/719044397.db2.gz BUAPQYFYBNXPJA-SQHAQQRYSA-N 1 0 425.580 3.618 20 0 IHADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164620323 719048734 /nfs/dbraw/zinc/04/87/34/719048734.db2.gz GEMHVXWMHWZVLT-OXJNMPFZSA-N 1 0 431.874 3.913 20 0 IHADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc5ccccc5nc4N4CCOCC4)[C@@H]3C2)cc1 ZINC001164625962 719076952 /nfs/dbraw/zinc/07/69/52/719076952.db2.gz NTKQIWQBXJGHGM-ZJSXRUAMSA-N 1 0 429.568 3.567 20 0 IHADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2CF)CC1 ZINC001164620233 719121707 /nfs/dbraw/zinc/12/17/07/719121707.db2.gz HZWILAPUHMRFGT-WBVHZDCISA-N 1 0 429.609 3.679 20 0 IHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001164619505 719124853 /nfs/dbraw/zinc/12/48/53/719124853.db2.gz DSMKBYQUDAXDHW-SJLPKXTDSA-N 1 0 425.577 3.933 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164677484 719561855 /nfs/dbraw/zinc/56/18/55/719561855.db2.gz OFWXTSAIFHZFJW-PKTZIBPZSA-N 1 0 438.616 3.650 20 0 IHADRO Cc1cccc(Oc2nc(Cl)ncc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680958 719648872 /nfs/dbraw/zinc/64/88/72/719648872.db2.gz JWKQZDSZOHUEKM-UHFFFAOYSA-N 1 0 426.952 3.902 20 0 IHADRO CC(C)c1nccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685636 719670466 /nfs/dbraw/zinc/67/04/66/719670466.db2.gz VOOBXLJYKLHNMD-HXUWFJFHSA-N 1 0 435.616 3.693 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164683909 719710006 /nfs/dbraw/zinc/71/00/06/719710006.db2.gz LXZUJLYGWPZKKG-UHFFFAOYSA-N 1 0 442.778 3.771 20 0 IHADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164690824 719805784 /nfs/dbraw/zinc/80/57/84/719805784.db2.gz AGDIDXYGDWLKPB-UHFFFAOYSA-N 1 0 440.573 3.535 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164709640 720102237 /nfs/dbraw/zinc/10/22/37/720102237.db2.gz BTESTNSAHADXQI-KRWDZBQOSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164712058 720104136 /nfs/dbraw/zinc/10/41/36/720104136.db2.gz UUYOUXUSVMOKPQ-GOSISDBHSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164714309 720117480 /nfs/dbraw/zinc/11/74/80/720117480.db2.gz BUXGYPFUKLUCBM-KRWDZBQOSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164716940 720124583 /nfs/dbraw/zinc/12/45/83/720124583.db2.gz LYSYNUZNZIVTPU-NRFANRHFSA-N 1 0 447.583 3.849 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)C2 ZINC001164815066 720191196 /nfs/dbraw/zinc/19/11/96/720191196.db2.gz HTUBQTBQTQHXJG-CVDCTZTESA-N 1 0 427.980 3.685 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164810838 720195542 /nfs/dbraw/zinc/19/55/42/720195542.db2.gz DOKAVYYVJBPAMI-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ncc2-c2ccccc2)CC1 ZINC001164834319 720319829 /nfs/dbraw/zinc/31/98/29/720319829.db2.gz ZDQBBUAMVHOFJH-NHCUHLMSSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ncc2-c2ccccc2)CC1 ZINC001164834325 720320059 /nfs/dbraw/zinc/32/00/59/720320059.db2.gz ZDQBBUAMVHOFJH-SFTDATJTSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cc(Cl)c(Cl)cc32)CC1 ZINC001164830905 720330103 /nfs/dbraw/zinc/33/01/03/720330103.db2.gz QKZQHUMEJLCXMF-VQTJNVASSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827470 720337941 /nfs/dbraw/zinc/33/79/41/720337941.db2.gz LYYKJKGIMKMPIV-MSOLQXFVSA-N 1 0 434.028 3.647 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc3cccc(F)c32)CC1 ZINC001164829228 720356292 /nfs/dbraw/zinc/35/62/92/720356292.db2.gz QYLPFFUPAOCZQF-RBUKOAKNSA-N 1 0 430.955 3.939 20 0 IHADRO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164723857 720366508 /nfs/dbraw/zinc/36/65/08/720366508.db2.gz HTGXYZLKCPEWJR-MSOLQXFVSA-N 1 0 425.920 3.549 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)NC(C)C)[C@H]3C2)nc1 ZINC001164824932 720424254 /nfs/dbraw/zinc/42/42/54/720424254.db2.gz MSSVAMFMZHFPCM-WBADGQHESA-N 1 0 428.621 3.632 20 0 IHADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164730269 720427785 /nfs/dbraw/zinc/42/77/85/720427785.db2.gz JDQKWXHBKRPKCX-UXHICEINSA-N 1 0 437.931 3.708 20 0 IHADRO Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2ncccc2C[NH+]2CCCC2)C3)c1 ZINC001164724774 720496735 /nfs/dbraw/zinc/49/67/35/720496735.db2.gz HFDFVMLBHMWZKH-CJFMBICVSA-N 1 0 440.563 3.541 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccnc(Cl)c3F)CC[C@@H]21 ZINC001164832376 720511167 /nfs/dbraw/zinc/51/11/67/720511167.db2.gz AJLAOUXCEHNNRS-ZOBUZTSGSA-N 1 0 427.902 3.993 20 0 IHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833651 720511332 /nfs/dbraw/zinc/51/13/32/720511332.db2.gz DLTDTJZTPMJSPJ-CMKODMSKSA-N 1 0 445.995 3.794 20 0 IHADRO CSc1nc2sccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835364 720514172 /nfs/dbraw/zinc/51/41/72/720514172.db2.gz KFHADAMNVODOER-XYJFISCASA-N 1 0 428.631 3.988 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)C1 ZINC001164726077 720516760 /nfs/dbraw/zinc/51/67/60/720516760.db2.gz AMZNEMFOFRPCPD-GFCCVEGCSA-N 1 0 441.313 3.876 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cl)cc3-c3ccncc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841726 720517263 /nfs/dbraw/zinc/51/72/63/720517263.db2.gz ZUCZNOZRSINMOQ-IRFCIJBXSA-N 1 0 437.979 3.766 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)C1 ZINC001164732047 720521146 /nfs/dbraw/zinc/52/11/46/720521146.db2.gz BVTMNFXZDMKNCL-IBGZPJMESA-N 1 0 433.556 3.579 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)C1 ZINC001164735214 720523940 /nfs/dbraw/zinc/52/39/40/720523940.db2.gz WPQWGVRWEIAOPO-INIZCTEOSA-N 1 0 434.494 3.970 20 0 IHADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164732580 720524483 /nfs/dbraw/zinc/52/44/83/720524483.db2.gz FLXYAYKXHXFIAR-SFHVURJKSA-N 1 0 441.649 3.544 20 0 IHADRO COCc1nc2scc(-c3ccccc3)c2c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164733779 720528388 /nfs/dbraw/zinc/52/83/88/720528388.db2.gz LNBWZXFQIIEWPU-KRWDZBQOSA-N 1 0 448.596 3.899 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)C1 ZINC001164733830 720530261 /nfs/dbraw/zinc/53/02/61/720530261.db2.gz LTFNOMANHMMZIC-OAHLLOKOSA-N 1 0 432.906 3.736 20 0 IHADRO CCc1ccc(Oc2nc(Cl)ncc2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC001164735856 720533896 /nfs/dbraw/zinc/53/38/96/720533896.db2.gz SKHYACUFIPKLSZ-QGZVFWFLSA-N 1 0 426.952 3.879 20 0 IHADRO CSc1nc2ccsc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834632 720536555 /nfs/dbraw/zinc/53/65/55/720536555.db2.gz FKMOLOUJGYPXIS-JFIYKMOQSA-N 1 0 428.631 3.988 20 0 IHADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164733731 720547133 /nfs/dbraw/zinc/54/71/33/720547133.db2.gz QOIZDVJYSNPKTD-OAHLLOKOSA-N 1 0 446.926 3.888 20 0 IHADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)s1 ZINC001164842153 720553828 /nfs/dbraw/zinc/55/38/28/720553828.db2.gz WZSDOUDUQSKAQF-OWCLPIDISA-N 1 0 431.997 3.622 20 0 IHADRO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164833602 720573048 /nfs/dbraw/zinc/57/30/48/720573048.db2.gz AOSLXOAGTGVEBL-ZFGGDYGUSA-N 1 0 432.572 3.727 20 0 IHADRO CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164840147 720573757 /nfs/dbraw/zinc/57/37/57/720573757.db2.gz RWQOEUGKWYDCSI-BHDDXSALSA-N 1 0 425.625 3.677 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(OCc4ccccc4)cn3)CC[C@@H]21 ZINC001164841501 720579850 /nfs/dbraw/zinc/57/98/50/720579850.db2.gz SJZSFJMFIHIDIM-VJBWXMMDSA-N 1 0 432.572 3.630 20 0 IHADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736079 720581018 /nfs/dbraw/zinc/58/10/18/720581018.db2.gz AQKGWXMZTLCKAB-FQEVSTJZSA-N 1 0 445.615 3.864 20 0 IHADRO Fc1ccc(-c2nc(Cl)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1 ZINC001164736484 720585910 /nfs/dbraw/zinc/58/59/10/720585910.db2.gz LKZKYQQOCRDFAI-UHFFFAOYSA-N 1 0 426.927 3.791 20 0 IHADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164836333 720594248 /nfs/dbraw/zinc/59/42/48/720594248.db2.gz FTCGCAWHROYDJR-YTFSRNRJSA-N 1 0 433.556 3.596 20 0 IHADRO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836277 720614292 /nfs/dbraw/zinc/61/42/92/720614292.db2.gz FOPLVUJERITQEI-TXTKFYIRSA-N 1 0 432.572 3.727 20 0 IHADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164745800 720725022 /nfs/dbraw/zinc/72/50/22/720725022.db2.gz VTJZSGCWVLIBEY-SFTDATJTSA-N 1 0 438.535 3.737 20 0 IHADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743256 720829417 /nfs/dbraw/zinc/82/94/17/720829417.db2.gz RRYKBSSTYNOERD-LQBOVUBWSA-N 1 0 437.979 3.563 20 0 IHADRO Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164739193 720831621 /nfs/dbraw/zinc/83/16/21/720831621.db2.gz HPHBFLSVCYSTEU-RCCFBDPRSA-N 1 0 436.938 3.559 20 0 IHADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164739977 720834047 /nfs/dbraw/zinc/83/40/47/720834047.db2.gz BEYAJYOZWAFEOS-RCCFBDPRSA-N 1 0 436.938 3.559 20 0 IHADRO c1ncn(C[C@H]2C[C@H]3CN(c4cccc(OCc5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741619 720840293 /nfs/dbraw/zinc/84/02/93/720840293.db2.gz FLRKZCVGHOAPEI-RBZQAINGSA-N 1 0 444.583 3.632 20 0 IHADRO Clc1cccc(-c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)c1 ZINC001164741662 720849727 /nfs/dbraw/zinc/84/97/27/720849727.db2.gz FMRWGYYDDOYHPK-KJXAQDMKSA-N 1 0 449.990 3.768 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]2C1 ZINC001164857109 720850281 /nfs/dbraw/zinc/85/02/81/720850281.db2.gz XKKIRYJHNXHORG-VQIMIIECSA-N 1 0 425.907 3.607 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164745184 720850263 /nfs/dbraw/zinc/85/02/63/720850263.db2.gz MKXNTOSARIHRJT-TZBSWOFLSA-N 1 0 443.599 3.731 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753063 720857616 /nfs/dbraw/zinc/85/76/16/720857616.db2.gz VUOJMOZQNUBGQF-ODGPQVTHSA-N 1 0 447.562 3.562 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@@H]2C1 ZINC001164856062 720865693 /nfs/dbraw/zinc/86/56/93/720865693.db2.gz OHJVMWBCSHDDMO-APWZRJJASA-N 1 0 425.907 3.607 20 0 IHADRO c1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164751661 720868179 /nfs/dbraw/zinc/86/81/79/720868179.db2.gz LUYRBEJWLPUDIX-JYFHCDHNSA-N 1 0 429.568 3.780 20 0 IHADRO Clc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752363 720872503 /nfs/dbraw/zinc/87/25/03/720872503.db2.gz MQAQKCVWULJMCQ-XMSQKQJNSA-N 1 0 448.398 3.934 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4sc(C)c(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164859139 720876257 /nfs/dbraw/zinc/87/62/57/720876257.db2.gz LUDZRJMQFHCIHX-UXHICEINSA-N 1 0 438.597 3.840 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)CC[C@@H]2C1 ZINC001164854670 720883486 /nfs/dbraw/zinc/88/34/86/720883486.db2.gz FTHZDFPVWXLXLI-CRAIPNDOSA-N 1 0 449.020 3.521 20 0 IHADRO CC(C)(C)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757758 720884766 /nfs/dbraw/zinc/88/47/66/720884766.db2.gz VLJREPGPGPHUHT-ATIYNZHBSA-N 1 0 435.616 3.924 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4ncccc4n2)C3)c1 ZINC001164752570 720886054 /nfs/dbraw/zinc/88/60/54/720886054.db2.gz FDVZJOMVPIERFF-ATIYNZHBSA-N 1 0 429.568 3.780 20 0 IHADRO Cc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755996 720892479 /nfs/dbraw/zinc/89/24/79/720892479.db2.gz NYJPVVRVSAANHH-REWPJTCUSA-N 1 0 427.980 3.589 20 0 IHADRO CCc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752650 720931527 /nfs/dbraw/zinc/93/15/27/720931527.db2.gz OHVSZJWXFCZVJJ-HYBUGGRVSA-N 1 0 442.007 3.843 20 0 IHADRO COC(=O)C[C@@H](c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1)C1CC1 ZINC001164861878 720997731 /nfs/dbraw/zinc/99/77/31/720997731.db2.gz RADBPVQSCAXRKY-LAUBAEHRSA-N 1 0 425.577 3.756 20 0 IHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(S(N)(=O)=O)cc4Cl)CC3)CC2)cc1 ZINC001164760590 721043928 /nfs/dbraw/zinc/04/39/28/721043928.db2.gz XEXQVHFTDBJTDV-UHFFFAOYSA-N 1 0 449.020 3.573 20 0 IHADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865819 721049912 /nfs/dbraw/zinc/04/99/12/721049912.db2.gz AEDVFTCPPDTRIG-HOTGVXAUSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870712 721055012 /nfs/dbraw/zinc/05/50/12/721055012.db2.gz WVHPFXCYXJGWIP-HUUCEWRRSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871472 721059437 /nfs/dbraw/zinc/05/94/37/721059437.db2.gz YYVRINMHZJISDL-ROUUACIJSA-N 1 0 445.901 3.703 20 0 IHADRO Clc1cnc2cc(Cl)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cc2n1 ZINC001164865397 721079110 /nfs/dbraw/zinc/07/91/10/721079110.db2.gz KZTIOKBGESQCKJ-JKSUJKDBSA-N 1 0 430.339 3.811 20 0 IHADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865136 721085782 /nfs/dbraw/zinc/08/57/82/721085782.db2.gz IPWLPBZSYPUENU-HUUCEWRRSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865137 721086319 /nfs/dbraw/zinc/08/63/19/721086319.db2.gz IPWLPBZSYPUENU-LSDHHAIUSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865134 721086660 /nfs/dbraw/zinc/08/66/60/721086660.db2.gz IPWLPBZSYPUENU-CABCVRRESA-N 1 0 429.298 3.808 20 0 IHADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164881204 721139892 /nfs/dbraw/zinc/13/98/92/721139892.db2.gz ZVQNAZRAWLIONE-FGZHOGPDSA-N 1 0 438.535 3.567 20 0 IHADRO CSc1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164772289 721152206 /nfs/dbraw/zinc/15/22/06/721152206.db2.gz VGAFTVPFWAZJPX-LSDHHAIUSA-N 1 0 427.952 3.694 20 0 IHADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871577 721156552 /nfs/dbraw/zinc/15/65/52/721156552.db2.gz FUCOBLVSMMPFGW-DHIUTWEWSA-N 1 0 429.568 3.710 20 0 IHADRO c1cc2c(nc(-c3ccccn3)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164880452 721173497 /nfs/dbraw/zinc/17/34/97/721173497.db2.gz WSOJUFRVSNBWMN-RBUKOAKNSA-N 1 0 444.564 3.628 20 0 IHADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164878515 721174004 /nfs/dbraw/zinc/17/40/04/721174004.db2.gz QJGPJYPUHLNKOM-VQTJNVASSA-N 1 0 444.564 3.628 20 0 IHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869276 721186604 /nfs/dbraw/zinc/18/66/04/721186604.db2.gz PWKSGWYWBLCQHT-GOEBONIOSA-N 1 0 445.297 3.688 20 0 IHADRO FC(F)(N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164871761 721190867 /nfs/dbraw/zinc/19/08/67/721190867.db2.gz ZWYZDIDCLPQFQX-MOPGFXCFSA-N 1 0 434.918 3.730 20 0 IHADRO FC(F)(N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164870834 721191492 /nfs/dbraw/zinc/19/14/92/721191492.db2.gz WMJXPGYNVMUUEJ-RBUKOAKNSA-N 1 0 434.918 3.730 20 0 IHADRO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164763272 721238214 /nfs/dbraw/zinc/23/82/14/721238214.db2.gz NALTZDGNPLRHRS-OALUTQOASA-N 1 0 438.963 3.923 20 0 IHADRO COc1cccc2ccc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc21 ZINC001164776844 721342222 /nfs/dbraw/zinc/34/22/22/721342222.db2.gz DHOCXGDGKPDXAR-RUZDIDTESA-N 1 0 436.556 3.967 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164881748 721345503 /nfs/dbraw/zinc/34/55/03/721345503.db2.gz AMZSRTHSQSNZQT-RQTOMXEWSA-N 1 0 426.605 3.530 20 0 IHADRO COc1ccc2ccnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164784274 721360994 /nfs/dbraw/zinc/36/09/94/721360994.db2.gz RDFWWJKZHLBBSV-VWLOTQADSA-N 1 0 436.556 3.967 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccncc4)n3)C2)C1 ZINC001164782283 721365822 /nfs/dbraw/zinc/36/58/22/721365822.db2.gz MEWKORXIZPKLEW-RUZDIDTESA-N 1 0 448.571 3.571 20 0 IHADRO COCCN1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)Cc2cccnc21 ZINC001164886648 721370165 /nfs/dbraw/zinc/37/01/65/721370165.db2.gz MZAXLERDAIEVKX-UHFFFAOYSA-N 1 0 449.933 3.525 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)nc1 ZINC001164892175 721377255 /nfs/dbraw/zinc/37/72/55/721377255.db2.gz RZVJNCQZRYGUPU-GMAHTHKFSA-N 1 0 434.650 3.803 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890537 721387780 /nfs/dbraw/zinc/38/77/80/721387780.db2.gz NYUSAMKXMNBXEL-HNAYVOBHSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4c(Cl)cc(Cl)nc4Cl)C3)O2)CC1 ZINC001164889185 721396529 /nfs/dbraw/zinc/39/65/29/721396529.db2.gz KQPRPFGTFRAUPN-AUUYWEPGSA-N 1 0 433.811 3.807 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc5ccc(F)cc54)C3)O2)CC1 ZINC001164886093 721397085 /nfs/dbraw/zinc/39/70/85/721397085.db2.gz DLAXQVDFGASZJF-AUSIDOKSSA-N 1 0 432.971 3.793 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897711 721430268 /nfs/dbraw/zinc/43/02/68/721430268.db2.gz UNCGACTXXQSEBV-RDGATRHJSA-N 1 0 427.637 3.598 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)nc4-c4ccccc4)C3)O2)CC1 ZINC001164895431 721440101 /nfs/dbraw/zinc/44/01/01/721440101.db2.gz PADNOPHSWQWJFT-YKSBVNFPSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(F)c5n4)C3)O2)CC1 ZINC001164890221 721446746 /nfs/dbraw/zinc/44/67/46/721446746.db2.gz CKWACLTWENCSPF-HXOBKFHXSA-N 1 0 432.971 3.793 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3sccc31)CC2 ZINC001164783878 721448521 /nfs/dbraw/zinc/44/85/21/721448521.db2.gz CWKXDMQASFZZKR-LJQANCHMSA-N 1 0 430.618 3.734 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)C3)O2)CC1 ZINC001164887760 721448680 /nfs/dbraw/zinc/44/86/80/721448680.db2.gz JYYDOKYNVDFKES-HYBUGGRVSA-N 1 0 448.055 3.943 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886468 721453992 /nfs/dbraw/zinc/45/39/92/721453992.db2.gz GRHRCXWITMVOAM-GBXCKJPGSA-N 1 0 445.007 3.662 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1SC)CC2 ZINC001164789852 721460982 /nfs/dbraw/zinc/46/09/82/721460982.db2.gz XSAJEQKXDZIJOR-QGZVFWFLSA-N 1 0 441.041 3.586 20 0 IHADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792634 721493984 /nfs/dbraw/zinc/49/39/84/721493984.db2.gz SRYRQIFJKCAZAR-UHFFFAOYSA-N 1 0 443.979 3.512 20 0 IHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4ccccc4)c4ccccc4n2)CC3)CC1 ZINC001164797733 721518794 /nfs/dbraw/zinc/51/87/94/721518794.db2.gz LZPLVYKTOJVBTB-UHFFFAOYSA-N 1 0 438.579 3.866 20 0 IHADRO Cc1nc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)c1C ZINC001164908059 721542440 /nfs/dbraw/zinc/54/24/40/721542440.db2.gz OQEZZRMYRPYBOE-DOTOQJQBSA-N 1 0 426.870 3.773 20 0 IHADRO CC(C)(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)n1 ZINC001164912311 721549619 /nfs/dbraw/zinc/54/96/19/721549619.db2.gz YSGNMMYEZUQMAP-UYAOXDASSA-N 1 0 437.519 3.910 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC[N@@H+]3C2)c1 ZINC001164911093 721554887 /nfs/dbraw/zinc/55/48/87/721554887.db2.gz YKBGASAESNVBAJ-GDBMZVCRSA-N 1 0 438.881 3.645 20 0 IHADRO COc1ccc2nc(Cl)cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2n1 ZINC001164808022 721558399 /nfs/dbraw/zinc/55/83/99/721558399.db2.gz ULFGYNVBKLEFCS-FHJLPGHOSA-N 1 0 439.947 3.555 20 0 IHADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164909655 721563770 /nfs/dbraw/zinc/56/37/70/721563770.db2.gz UMYZEWLWPUQJDP-QUCCMNQESA-N 1 0 439.922 3.981 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164902539 721580676 /nfs/dbraw/zinc/58/06/76/721580676.db2.gz FZACCEXAROENQW-DHLKQENFSA-N 1 0 436.604 3.684 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164902545 721580844 /nfs/dbraw/zinc/58/08/44/721580844.db2.gz FZACCEXAROENQW-WIOPSUGQSA-N 1 0 436.604 3.684 20 0 IHADRO COC(=O)c1cc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907099 721585269 /nfs/dbraw/zinc/58/52/69/721585269.db2.gz ROAGDIOELGQYTB-FQEVSTJZSA-N 1 0 436.890 3.654 20 0 IHADRO CCN(c1ccccc1)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncn1 ZINC001164807665 721586080 /nfs/dbraw/zinc/58/60/80/721586080.db2.gz PDPJUOCSVZTIGB-UMFSSWHCSA-N 1 0 444.583 3.898 20 0 IHADRO COC(=O)c1c(Cl)ccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907063 721586440 /nfs/dbraw/zinc/58/64/40/721586440.db2.gz QUBKCGWLAMBKDG-HXUWFJFHSA-N 1 0 436.890 3.654 20 0 IHADRO FC(F)(c1nccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907900 721587133 /nfs/dbraw/zinc/58/71/33/721587133.db2.gz WFHAZMKQQLLWBI-KRWDZBQOSA-N 1 0 429.849 3.808 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c32)[C@H]2CCCO[C@@H]12 ZINC001164804084 721591132 /nfs/dbraw/zinc/59/11/32/721591132.db2.gz IGFIQCUGVFXXSQ-TUNNFDKTSA-N 1 0 432.503 3.513 20 0 IHADRO CCOC(=O)c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906813 721705317 /nfs/dbraw/zinc/70/53/17/721705317.db2.gz ONIGCHPKSPBIBB-JOCHJYFZSA-N 1 0 430.499 3.699 20 0 IHADRO CN(C)C(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164912597 721726011 /nfs/dbraw/zinc/72/60/11/721726011.db2.gz OFFUEMSXSMRKOY-OAQYLSRUSA-N 1 0 449.933 3.570 20 0 IHADRO COc1cccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164913463 721726158 /nfs/dbraw/zinc/72/61/58/721726158.db2.gz VXRDTIIXWOZACU-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@H]21 ZINC001165023317 721807595 /nfs/dbraw/zinc/80/75/95/721807595.db2.gz JGNJUSYICMOVSN-MISYRCLQSA-N 1 0 438.576 3.956 20 0 IHADRO COc1cc2ncc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165020764 721810370 /nfs/dbraw/zinc/81/03/70/721810370.db2.gz CWERIWZWZTYKEP-KPLVRAHFSA-N 1 0 433.556 3.779 20 0 IHADRO COC(=O)c1cc2ccncc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021639 721814873 /nfs/dbraw/zinc/81/48/73/721814873.db2.gz FNBVTIULMRFFJM-AVCGJXAMSA-N 1 0 431.540 3.548 20 0 IHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020683 721831324 /nfs/dbraw/zinc/83/13/24/721831324.db2.gz DEGLGTTZURCETO-KCITZHQASA-N 1 0 443.979 3.538 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)c(N3CCCC3)n2)CC1 ZINC001165017154 721837637 /nfs/dbraw/zinc/83/76/37/721837637.db2.gz ICFMXXGMNRSGDG-UHFFFAOYSA-N 1 0 425.577 3.503 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3cc(Cl)cnc32)CC1 ZINC001165020567 721841942 /nfs/dbraw/zinc/84/19/42/721841942.db2.gz FVPCEFPFPDJXOE-UHFFFAOYSA-N 1 0 427.936 3.796 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)cc2C(OC)OC)CC1 ZINC001165023438 721843015 /nfs/dbraw/zinc/84/30/15/721843015.db2.gz ZYLGCYVFOZFIGG-UHFFFAOYSA-N 1 0 429.561 3.799 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(N3CCC(C)CC3)nn2)CC1 ZINC001165021248 721843944 /nfs/dbraw/zinc/84/39/44/721843944.db2.gz JGQLKYNSPXVHEE-UHFFFAOYSA-N 1 0 439.604 3.831 20 0 IHADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nn2)c1 ZINC001164934017 721890201 /nfs/dbraw/zinc/89/02/01/721890201.db2.gz NZUSSBZQCXLNJF-UXHICEINSA-N 1 0 435.950 3.865 20 0 IHADRO C[N@H+](Cc1ccc(N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)nc1)C1CC1 ZINC001164928215 721899092 /nfs/dbraw/zinc/89/90/92/721899092.db2.gz MSCFNSGGQSPSKZ-SANMLTNESA-N 1 0 427.552 3.811 20 0 IHADRO CN(CC1CC[NH+](C)CC1)C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001165044627 721938809 /nfs/dbraw/zinc/93/88/09/721938809.db2.gz PFJZCIHEOXMCAG-UHFFFAOYSA-N 1 0 426.895 3.912 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)nc1 ZINC001164948297 721962039 /nfs/dbraw/zinc/96/20/39/721962039.db2.gz SVMCNSRSKQFDFE-SMIHKQSGSA-N 1 0 439.604 3.713 20 0 IHADRO COC(=O)c1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2ccccc2c1OC ZINC001164962050 722023605 /nfs/dbraw/zinc/02/36/05/722023605.db2.gz OULVGOHXLCZSSB-UHFFFAOYSA-N 1 0 446.551 3.918 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)nc1 ZINC001164960979 722029967 /nfs/dbraw/zinc/02/99/67/722029967.db2.gz VHHYRKJTRIYUGC-FBPBVXOASA-N 1 0 426.536 3.978 20 0 IHADRO O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164961282 722049298 /nfs/dbraw/zinc/04/92/98/722049298.db2.gz YHXHUNSYEFEWHI-CRAIPNDOSA-N 1 0 448.901 3.601 20 0 IHADRO FC(F)(Oc1cccnc1Cl)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959421 722053997 /nfs/dbraw/zinc/05/39/97/722053997.db2.gz JACXJARLJLMGGS-UHFFFAOYSA-N 1 0 438.906 3.674 20 0 IHADRO COC(=O)c1ccc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164963184 722054844 /nfs/dbraw/zinc/05/48/44/722054844.db2.gz HZHMPDPGZWJNER-UHFFFAOYSA-N 1 0 446.551 3.535 20 0 IHADRO Fc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963866 722055920 /nfs/dbraw/zinc/05/59/20/722055920.db2.gz OXLNZQAAMVKQOK-UHFFFAOYSA-N 1 0 440.897 3.933 20 0 IHADRO CCCN(CCC)c1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164959993 722058230 /nfs/dbraw/zinc/05/82/30/722058230.db2.gz BVAKPHZDZXUWSK-UHFFFAOYSA-N 1 0 438.620 3.617 20 0 IHADRO COC(=O)c1cccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ccc21 ZINC001164960012 722060929 /nfs/dbraw/zinc/06/09/29/722060929.db2.gz CQLAKMGXNRPPTA-UHFFFAOYSA-N 1 0 446.551 3.535 20 0 IHADRO O=C(NC1CCC1)C1C[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164973367 722084672 /nfs/dbraw/zinc/08/46/72/722084672.db2.gz NOYSBJAAHPTGLE-GOTSBHOMSA-N 1 0 430.596 3.771 20 0 IHADRO Clc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164982267 722147153 /nfs/dbraw/zinc/14/71/53/722147153.db2.gz RLQJBLPANDMYBG-NHCUHLMSSA-N 1 0 435.959 3.919 20 0 IHADRO Fc1ccc(COc2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164983797 722147473 /nfs/dbraw/zinc/14/74/73/722147473.db2.gz UXZKQHOMRKTZCY-RDGATRHJSA-N 1 0 448.542 3.922 20 0 IHADRO Fc1ccc2nc(C(F)F)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974657 722151891 /nfs/dbraw/zinc/15/18/91/722151891.db2.gz OUBSCWIHZBQOLD-JXFKEZNVSA-N 1 0 443.473 3.829 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973897 722154155 /nfs/dbraw/zinc/15/41/55/722154155.db2.gz NMGDSDWGXHNNLX-HYBUGGRVSA-N 1 0 433.531 3.713 20 0 IHADRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccccc1F ZINC001164971585 722154906 /nfs/dbraw/zinc/15/49/06/722154906.db2.gz BXHSKBXQOMAWTQ-REWPJTCUSA-N 1 0 433.531 3.713 20 0 IHADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)c1 ZINC001164979726 722165307 /nfs/dbraw/zinc/16/53/07/722165307.db2.gz VVDAWLUSTSJOCK-RDGATRHJSA-N 1 0 429.605 3.891 20 0 IHADRO COc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(N2CCCCCC2)n1 ZINC001164997249 722207956 /nfs/dbraw/zinc/20/79/56/722207956.db2.gz XONROWTZRGDNJY-DEOSSOPVSA-N 1 0 440.567 3.645 20 0 IHADRO Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)CC3)cs1 ZINC001165006990 722273117 /nfs/dbraw/zinc/27/31/17/722273117.db2.gz SHYZFPRZPXTTQR-OAQYLSRUSA-N 1 0 428.602 3.785 20 0 IHADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(F)(F)F ZINC000604766081 1126099746 /nfs/dbraw/zinc/09/97/46/1126099746.db2.gz OMAZKUZYZLJTFO-QAPCUYQASA-N 1 0 446.263 3.844 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001473838623 1126199298 /nfs/dbraw/zinc/19/92/98/1126199298.db2.gz JBOMCPPNHYPROD-RUZDIDTESA-N 1 0 439.577 3.920 20 0 IHADRO Cn1cc(-c2ccc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cc2)cn1 ZINC001461632270 1126195474 /nfs/dbraw/zinc/19/54/74/1126195474.db2.gz JKYMQZFBNLXTHX-JOCHJYFZSA-N 1 0 426.358 3.859 20 0 IHADRO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cs1 ZINC001473840395 1126200809 /nfs/dbraw/zinc/20/08/09/1126200809.db2.gz XCFXKZCUMTZLMR-QHCPKHFHSA-N 1 0 427.545 3.855 20 0 IHADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1C ZINC001474169499 1126202352 /nfs/dbraw/zinc/20/23/52/1126202352.db2.gz JMWOTDCHQKFMTI-GOSISDBHSA-N 1 0 431.602 3.746 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Br)cnc1F ZINC001474652857 1126205079 /nfs/dbraw/zinc/20/50/79/1126205079.db2.gz UXQVGCLBKXELIX-INIZCTEOSA-N 1 0 432.131 3.829 20 0 IHADRO O=c1[nH]c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc2cc(Cl)ccc12 ZINC001620419155 1126240347 /nfs/dbraw/zinc/24/03/47/1126240347.db2.gz PLCGHLBRGBPWED-FQEVSTJZSA-N 1 0 448.748 3.761 20 0 IHADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccccc3C(F)(F)F)c1)C2 ZINC001164405711 718854009 /nfs/dbraw/zinc/85/40/09/718854009.db2.gz MFLNHPMNFGCKSY-FZKQIMNGSA-N 1 0 447.835 3.984 20 0 IHADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)c2ccccc21 ZINC001164400907 718863165 /nfs/dbraw/zinc/86/31/65/718863165.db2.gz AUTUPGDHSMTZKD-IFXJQAMLSA-N 1 0 447.917 3.648 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164620338 719014171 /nfs/dbraw/zinc/01/41/71/719014171.db2.gz YHYNJHGWWPSDKL-VFVAKGGASA-N 1 0 430.282 3.816 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)Nc4ccccc4)ccn3)CC2)CC1 ZINC001164616391 719027525 /nfs/dbraw/zinc/02/75/25/719027525.db2.gz CXMBJDKRGSHDOU-UHFFFAOYSA-N 1 0 436.556 3.578 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)CC1 ZINC001164617624 719031235 /nfs/dbraw/zinc/03/12/35/719031235.db2.gz OEFOKRZLIAWDMZ-UHFFFAOYSA-N 1 0 445.567 3.936 20 0 IHADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624042 719049727 /nfs/dbraw/zinc/04/97/27/719049727.db2.gz NSQITHLHJKVHIH-PXNSSMCTSA-N 1 0 436.890 3.955 20 0 IHADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624945 719083890 /nfs/dbraw/zinc/08/38/90/719083890.db2.gz MBXNIYTUALUDDL-ZWKOTPCHSA-N 1 0 448.398 3.721 20 0 IHADRO CCOC(=O)c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C(=O)OCC ZINC001164621623 719113866 /nfs/dbraw/zinc/11/38/66/719113866.db2.gz AJGDCPDXRUMBDX-CTNGQTDRSA-N 1 0 437.540 3.536 20 0 IHADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c(Cl)nn2)c1 ZINC001164622396 719125376 /nfs/dbraw/zinc/12/53/76/719125376.db2.gz OSMSYFYQWIYRPZ-CJNGLKHVSA-N 1 0 426.870 3.864 20 0 IHADRO COc1ccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)cc1 ZINC001164623012 719126308 /nfs/dbraw/zinc/12/63/08/719126308.db2.gz PXDARXZMOMEUGZ-XJKSGUPXSA-N 1 0 426.870 3.864 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](N3CCCC3=O)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164649741 719305745 /nfs/dbraw/zinc/30/57/45/719305745.db2.gz XPDOHRVDCCWERL-IYXIZZNPSA-N 1 0 426.605 3.625 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164654656 719326340 /nfs/dbraw/zinc/32/63/40/719326340.db2.gz MNQCIVGRCCCSSL-JTKRFKOTSA-N 1 0 440.632 3.919 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)CC3CC3)C2)nc1 ZINC001164652087 719326533 /nfs/dbraw/zinc/32/65/33/719326533.db2.gz BGGDCQFVHFKGFV-FUCAVZNHSA-N 1 0 426.605 3.529 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164667493 719440919 /nfs/dbraw/zinc/44/09/19/719440919.db2.gz HCTIQJBVLWJNFJ-VQTJNVASSA-N 1 0 429.549 3.940 20 0 IHADRO CC(C)N(C)Cc1nn(-c2nnc(Cc3ccccc3)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164679478 719635831 /nfs/dbraw/zinc/63/58/31/719635831.db2.gz BWUZZAFVGIHNNP-UHFFFAOYSA-N 1 0 426.568 3.892 20 0 IHADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680600 719639512 /nfs/dbraw/zinc/63/95/12/719639512.db2.gz XSINCNUQKMJAPW-UHFFFAOYSA-N 1 0 443.599 3.768 20 0 IHADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3ccco3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164679602 719640540 /nfs/dbraw/zinc/64/05/40/719640540.db2.gz INZPNCMDVALBJE-UHFFFAOYSA-N 1 0 436.894 3.670 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4ccccc43)CC2)c2ccccc21 ZINC001164681002 719658300 /nfs/dbraw/zinc/65/83/00/719658300.db2.gz LAZSSUAZAQYJAW-HXUWFJFHSA-N 1 0 443.595 3.723 20 0 IHADRO CC(C)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164681397 719665137 /nfs/dbraw/zinc/66/51/37/719665137.db2.gz NOWHEKAZRDCTHI-HXUWFJFHSA-N 1 0 435.616 3.693 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(C(C)(C)C)n3)CC2)c2ccccc21 ZINC001164687205 719665827 /nfs/dbraw/zinc/66/58/27/719665827.db2.gz ZYJPKXKJMJWIME-HXUWFJFHSA-N 1 0 449.643 3.868 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CC2 ZINC001164683428 719711350 /nfs/dbraw/zinc/71/13/50/719711350.db2.gz KFTGKZATLXXAGW-UHFFFAOYSA-N 1 0 426.175 3.876 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CC2 ZINC001164690033 719746784 /nfs/dbraw/zinc/74/67/84/719746784.db2.gz QFRDHUDHODQRDX-UHFFFAOYSA-N 1 0 441.579 3.991 20 0 IHADRO Fc1cccnc1N(c1nc(Cl)ccc1CN1CCCC1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690746 719760814 /nfs/dbraw/zinc/76/08/14/719760814.db2.gz HTTQRCPUBUOBOB-JTSKRJEESA-N 1 0 431.943 3.524 20 0 IHADRO COC(=O)c1ccc2cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ncc2c1 ZINC001164696170 719896747 /nfs/dbraw/zinc/89/67/47/719896747.db2.gz AHLUDXSYZVIXOW-UHFFFAOYSA-N 1 0 437.565 3.954 20 0 IHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cncc(OCC5CCCC5)n4)CC3)C2)c1 ZINC001164707509 719906366 /nfs/dbraw/zinc/90/63/66/719906366.db2.gz SAXHSIFLNPYJML-UHFFFAOYSA-N 1 0 428.602 3.979 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164712120 720094599 /nfs/dbraw/zinc/09/45/99/720094599.db2.gz VPDLXOBYSHKGKJ-QGZVFWFLSA-N 1 0 426.952 3.514 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(SC)n1)CC2 ZINC001164712092 720095058 /nfs/dbraw/zinc/09/50/58/720095058.db2.gz VIUVXRGSDMBHGJ-KRWDZBQOSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164709643 720104929 /nfs/dbraw/zinc/10/49/29/720104929.db2.gz BTESTNSAHADXQI-QGZVFWFLSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164718015 720109157 /nfs/dbraw/zinc/10/91/57/720109157.db2.gz QCEPDHCALIIARX-SFHVURJKSA-N 1 0 440.979 3.822 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164719467 720109322 /nfs/dbraw/zinc/10/93/22/720109322.db2.gz XKBMEKSUKZBURM-SFHVURJKSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3Cc1ccccc1)C2 ZINC001164807329 720125663 /nfs/dbraw/zinc/12/56/63/720125663.db2.gz BXRUXGFHBLCELC-ATIYNZHBSA-N 1 0 431.584 3.664 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001164815529 720136981 /nfs/dbraw/zinc/13/69/81/720136981.db2.gz WIXSAJWNPSPPLF-AOMKIAJQSA-N 1 0 447.942 3.641 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164711232 720146655 /nfs/dbraw/zinc/14/66/55/720146655.db2.gz GFNIAUCTVQAHBC-OAQYLSRUSA-N 1 0 447.583 3.849 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(SC(C)C)nn1)CC2 ZINC001164711147 720148904 /nfs/dbraw/zinc/14/89/04/720148904.db2.gz FRDOPVXVNDXVHB-FQEVSTJZSA-N 1 0 427.618 3.880 20 0 IHADRO CCc1nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c(Cl)nc1C ZINC001164715656 720156545 /nfs/dbraw/zinc/15/65/45/720156545.db2.gz VUXFBNTUJQCIRS-IBGZPJMESA-N 1 0 429.996 3.903 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164816263 720157317 /nfs/dbraw/zinc/15/73/17/720157317.db2.gz KNISMUBISJGAEE-QMHKHESXSA-N 1 0 425.964 3.949 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164815599 720172902 /nfs/dbraw/zinc/17/29/02/720172902.db2.gz ILNQCPITAXCVRP-CYFREDJKSA-N 1 0 447.023 3.592 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164816373 720190230 /nfs/dbraw/zinc/19/02/30/720190230.db2.gz LDGPTVXSGGBWLV-YADARESESA-N 1 0 435.597 3.938 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CCC2 ZINC001164813517 720233952 /nfs/dbraw/zinc/23/39/52/720233952.db2.gz PCVNNLUIZXDMNC-UHFFFAOYSA-N 1 0 440.636 3.879 20 0 IHADRO CC(C)c1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C(C)(C)C)n1 ZINC001164812336 720239650 /nfs/dbraw/zinc/23/96/50/720239650.db2.gz FWOAHQLUMDRGQH-UHFFFAOYSA-N 1 0 426.609 3.705 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc3cc(F)ccc32)CC1 ZINC001164816978 720287087 /nfs/dbraw/zinc/28/70/87/720287087.db2.gz APBPXJDIQYQNGG-UXHICEINSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2Cl)CC1 ZINC001164826545 720293247 /nfs/dbraw/zinc/29/32/47/720293247.db2.gz VOHBEIUKYHNUOY-HZPDHXFCSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)CC1 ZINC001164819998 720293903 /nfs/dbraw/zinc/29/39/03/720293903.db2.gz GCYPDLFNWVQYMZ-IRXDYDNUSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2Cl)CC1 ZINC001164823180 720296473 /nfs/dbraw/zinc/29/64/73/720296473.db2.gz PEXROHMMHBMOJG-DLBZAZTESA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ccnc(Cl)c3)ccn2)CC1 ZINC001164824473 720305068 /nfs/dbraw/zinc/30/50/68/720305068.db2.gz QUVDANYQNBOZFE-LEWJYISDSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cc(C(C)(C)C)sc32)CC1 ZINC001164827388 720305976 /nfs/dbraw/zinc/30/59/76/720305976.db2.gz XKQDBZGPUMTUNT-RBUKOAKNSA-N 1 0 441.645 3.900 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3ccc(F)cc32)CC1 ZINC001164821005 720307019 /nfs/dbraw/zinc/30/70/19/720307019.db2.gz IUCJREYRPNPQBC-PMACEKPBSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3nc(Cl)cnc3cc2Cl)CC1 ZINC001164822110 720313700 /nfs/dbraw/zinc/31/37/00/720313700.db2.gz MVLVTZVCIZYBRU-MOPGFXCFSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)CC1 ZINC001164832006 720317713 /nfs/dbraw/zinc/31/77/13/720317713.db2.gz SSSZANXECYKSLO-JKSUJKDBSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(Cl)ncc(Cl)c2Cl)CC1 ZINC001164829471 720320961 /nfs/dbraw/zinc/32/09/61/720320961.db2.gz MQRKNRCDCASGRV-CABCVRRESA-N 1 0 431.795 3.953 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC001164829428 720328246 /nfs/dbraw/zinc/32/82/46/720328246.db2.gz LVHNTQSOMQEWIS-FGZHOGPDSA-N 1 0 439.991 3.709 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827472 720337857 /nfs/dbraw/zinc/33/78/57/720337857.db2.gz LYYKJKGIMKMPIV-ROUUACIJSA-N 1 0 434.028 3.647 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831661 720351192 /nfs/dbraw/zinc/35/11/92/720351192.db2.gz ZLIGNFZJJQTYBH-RBUKOAKNSA-N 1 0 434.028 3.548 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)C1 ZINC001164726930 720510387 /nfs/dbraw/zinc/51/03/87/720510387.db2.gz ACTOQYCQFHZUQT-MRXNPFEDSA-N 1 0 434.494 3.970 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@@H]21 ZINC001164833977 720510977 /nfs/dbraw/zinc/51/09/77/720510977.db2.gz DZMBPEZTBLSFNP-ILXRZTDVSA-N 1 0 445.345 3.903 20 0 IHADRO CSc1nc2sccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835357 720514378 /nfs/dbraw/zinc/51/43/78/720514378.db2.gz KFHADAMNVODOER-LZLYRXPVSA-N 1 0 428.631 3.988 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)CC[C@@H]21 ZINC001164836081 720515690 /nfs/dbraw/zinc/51/56/90/720515690.db2.gz MFKQDEKTFNBXRQ-VYDXJSESSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@@H]21 ZINC001164842939 720557646 /nfs/dbraw/zinc/55/76/46/720557646.db2.gz ZBQGBADJDQKXPI-FKBYEOEOSA-N 1 0 443.039 3.905 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(OCc4ccccc4)cnn3)CC[C@@H]21 ZINC001164840159 720559612 /nfs/dbraw/zinc/55/96/12/720559612.db2.gz RWWAVFJTQVCPGN-GPXNEJASSA-N 1 0 432.572 3.630 20 0 IHADRO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164836367 720575727 /nfs/dbraw/zinc/57/57/27/720575727.db2.gz JRQLDPKIRBSADP-TXTKFYIRSA-N 1 0 448.571 3.852 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(-c4ccc(N(C)C)cc4)n3)CC[C@@H]21 ZINC001164843563 720582375 /nfs/dbraw/zinc/58/23/75/720582375.db2.gz YEFXMVFHAWLWDJ-VTZPFEBOSA-N 1 0 445.615 3.784 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC[C@@H]21 ZINC001164841648 720616589 /nfs/dbraw/zinc/61/65/89/720616589.db2.gz UABQQCQSTWDUOP-ZOBUZTSGSA-N 1 0 449.937 3.731 20 0 IHADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C ZINC001164837713 720625437 /nfs/dbraw/zinc/62/54/37/720625437.db2.gz ILNMUWMFEUWWIM-QNWVGRARSA-N 1 0 431.588 3.730 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843750 720648848 /nfs/dbraw/zinc/64/88/48/720648848.db2.gz XOSMBKCGBVCUSU-DJPFJPOOSA-N 1 0 433.535 3.825 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)CC[C@@H]21 ZINC001164843751 720650484 /nfs/dbraw/zinc/65/04/84/720650484.db2.gz XOSMBKCGBVCUSU-MDKPJZGXSA-N 1 0 433.535 3.825 20 0 IHADRO c1csc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)c1 ZINC001164741565 720658229 /nfs/dbraw/zinc/65/82/29/720658229.db2.gz UGPVODYCMZFCRN-CABCVRRESA-N 1 0 436.566 3.552 20 0 IHADRO COC(=O)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1Cl ZINC001164837056 720664679 /nfs/dbraw/zinc/66/46/79/720664679.db2.gz AYYRGPJRSTUUJU-SFHVURJKSA-N 1 0 429.948 3.782 20 0 IHADRO COc1cc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164841772 720672256 /nfs/dbraw/zinc/67/22/56/720672256.db2.gz PZHPZYLDQRQOPX-FQEVSTJZSA-N 1 0 448.567 3.907 20 0 IHADRO COC(=O)c1c[nH]c2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ccc12 ZINC001164844801 720678647 /nfs/dbraw/zinc/67/86/47/720678647.db2.gz UVTIXXMECPQWEC-LJQANCHMSA-N 1 0 434.540 3.609 20 0 IHADRO COC(=O)c1c[nH]c2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ccc12 ZINC001164844798 720679311 /nfs/dbraw/zinc/67/93/11/720679311.db2.gz UVTIXXMECPQWEC-IBGZPJMESA-N 1 0 434.540 3.609 20 0 IHADRO COC(=O)c1cc(F)c(C)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843388 720690831 /nfs/dbraw/zinc/69/08/31/720690831.db2.gz PCUUHMYPLXCJKG-IBGZPJMESA-N 1 0 427.520 3.576 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164840479 720697713 /nfs/dbraw/zinc/69/77/13/720697713.db2.gz FGELCZOYPGQRGZ-FQEVSTJZSA-N 1 0 438.572 3.692 20 0 IHADRO CCOCc1cnc(Cl)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837680 720707601 /nfs/dbraw/zinc/70/76/01/720707601.db2.gz GLXUVJCRGOMAMG-HXUWFJFHSA-N 1 0 430.980 3.926 20 0 IHADRO CCOC(=O)c1ncnc(Cl)c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837603 720707857 /nfs/dbraw/zinc/70/78/57/720707857.db2.gz FCSAJPMZYZXDKR-GOSISDBHSA-N 1 0 444.963 3.567 20 0 IHADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739310 720719217 /nfs/dbraw/zinc/71/92/17/720719217.db2.gz MYYDDOIIHUKNRY-HZPDHXFCSA-N 1 0 431.874 3.565 20 0 IHADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164745794 720726699 /nfs/dbraw/zinc/72/66/99/720726699.db2.gz VTJZSGCWVLIBEY-LEWJYISDSA-N 1 0 438.535 3.737 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164838064 720729769 /nfs/dbraw/zinc/72/97/69/720729769.db2.gz QRVFMUFGVKQRLV-IBGZPJMESA-N 1 0 437.918 3.778 20 0 IHADRO Fc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164737226 720764291 /nfs/dbraw/zinc/76/42/91/720764291.db2.gz BCULWHMLMMCIKL-PMACEKPBSA-N 1 0 442.498 3.568 20 0 IHADRO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164740718 720819747 /nfs/dbraw/zinc/81/97/47/720819747.db2.gz LCNXLMNWUOUAHZ-HFSMHLIXSA-N 1 0 440.954 3.998 20 0 IHADRO Clc1cccc(-c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)n1 ZINC001164738428 720829403 /nfs/dbraw/zinc/82/94/03/720829403.db2.gz FRIZKILCJJNCPZ-NNMXDRDESA-N 1 0 449.990 3.768 20 0 IHADRO COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164846043 720829816 /nfs/dbraw/zinc/82/98/16/720829816.db2.gz CRWCIXBCWAVOPG-ICSRJNTNSA-N 1 0 427.923 3.679 20 0 IHADRO Cc1ccc(F)c2cc(C)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164744650 720836813 /nfs/dbraw/zinc/83/68/13/720836813.db2.gz LCMQOBBBORYDNF-MIZPHKNDSA-N 1 0 434.563 3.962 20 0 IHADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(OCc5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741629 720840597 /nfs/dbraw/zinc/84/05/97/720840597.db2.gz FLRKZCVGHOAPEI-TZRRMPRUSA-N 1 0 444.583 3.632 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@H]2C1 ZINC001164852556 720844201 /nfs/dbraw/zinc/84/42/01/720844201.db2.gz KUYSQAHUSXKOCD-RDJZCZTQSA-N 1 0 430.599 3.593 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]2C1 ZINC001164854241 720850355 /nfs/dbraw/zinc/85/03/55/720850355.db2.gz QJADMZLZKREOFG-QFBILLFUSA-N 1 0 425.907 3.607 20 0 IHADRO c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164751660 720868412 /nfs/dbraw/zinc/86/84/12/720868412.db2.gz LUYRBEJWLPUDIX-BVAGGSTKSA-N 1 0 429.568 3.780 20 0 IHADRO CSc1nc(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750449 720868825 /nfs/dbraw/zinc/86/88/25/720868825.db2.gz JCWNZCJVSBUCHI-QPPBQGQZSA-N 1 0 439.629 3.657 20 0 IHADRO Fc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748490 720875840 /nfs/dbraw/zinc/87/58/40/720875840.db2.gz FNYOADVEPVHRBY-RLWLMLJZSA-N 1 0 447.558 3.919 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4Cl)nc(C)c3C)CC[C@@H]2C1 ZINC001164861742 720882814 /nfs/dbraw/zinc/88/28/14/720882814.db2.gz QBOOKKDYGQCBLN-NQIIRXRSSA-N 1 0 430.980 3.587 20 0 IHADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)c1 ZINC001164864439 720888719 /nfs/dbraw/zinc/88/87/19/720888719.db2.gz VTBMFPHMWXKPDZ-NQIIRXRSSA-N 1 0 446.979 3.658 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@@H]2C1 ZINC001164855740 720892340 /nfs/dbraw/zinc/89/23/40/720892340.db2.gz CAMIQNXIOUIIIG-BEFAXECRSA-N 1 0 441.906 3.713 20 0 IHADRO Fc1cnc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164756292 720904163 /nfs/dbraw/zinc/90/41/63/720904163.db2.gz PIYLMVJEJWGGSA-LVXARBLLSA-N 1 0 447.558 3.919 20 0 IHADRO CC(C)(C)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164755180 720913013 /nfs/dbraw/zinc/91/30/13/720913013.db2.gz ZHVHHUQFWSBANJ-NVQXNPDNSA-N 1 0 435.616 3.924 20 0 IHADRO CCSc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748478 720917794 /nfs/dbraw/zinc/91/77/94/720917794.db2.gz GFCODBUKVGALEK-ZJSXRUAMSA-N 1 0 439.629 3.739 20 0 IHADRO COC(=O)c1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c2ccccc2c1OC ZINC001164860286 721011335 /nfs/dbraw/zinc/01/13/35/721011335.db2.gz KRLSXEZQPWNKTF-INIZCTEOSA-N 1 0 437.544 3.648 20 0 IHADRO COC(=O)c1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c2ccccc2c1OC ZINC001164860289 721012778 /nfs/dbraw/zinc/01/27/78/721012778.db2.gz KRLSXEZQPWNKTF-MRXNPFEDSA-N 1 0 437.544 3.648 20 0 IHADRO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc1 ZINC001164759443 721045810 /nfs/dbraw/zinc/04/58/10/721045810.db2.gz MLCBFWKOZOQINX-UHFFFAOYSA-N 1 0 442.629 3.571 20 0 IHADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869518 721049190 /nfs/dbraw/zinc/04/91/90/721049190.db2.gz UCBPQLLVJYURTB-JKSUJKDBSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865841 721054900 /nfs/dbraw/zinc/05/49/00/721054900.db2.gz AKOMCGFAVFEINF-LSDHHAIUSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866958 721080670 /nfs/dbraw/zinc/08/06/70/721080670.db2.gz VPFIKOMTCDZCJX-MSOLQXFVSA-N 1 0 445.901 3.703 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C[C@@H]3C2)cn1 ZINC001164769288 721090009 /nfs/dbraw/zinc/09/00/09/721090009.db2.gz OKPBVEZYAYATIN-HOTGVXAUSA-N 1 0 432.906 3.520 20 0 IHADRO c1ccc(CSc2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164871554 721168127 /nfs/dbraw/zinc/16/81/27/721168127.db2.gz FGRSZTUIXAKXNV-FGZHOGPDSA-N 1 0 433.581 3.644 20 0 IHADRO Clc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164880980 721169933 /nfs/dbraw/zinc/16/99/33/721169933.db2.gz YMOWYVHLGAAHIB-IAGOWNOFSA-N 1 0 430.339 3.811 20 0 IHADRO Fc1ccc2nc(C(F)F)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164875447 721174568 /nfs/dbraw/zinc/17/45/68/721174568.db2.gz LPXPISYQCWBJSQ-DLBZAZTESA-N 1 0 429.446 3.581 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164767759 721206145 /nfs/dbraw/zinc/20/61/45/721206145.db2.gz KMMKRKMKZVYRHE-HOTGVXAUSA-N 1 0 448.905 3.627 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164765844 721214406 /nfs/dbraw/zinc/21/44/06/721214406.db2.gz IMFTZDKDWPMPNW-ZWKOTPCHSA-N 1 0 426.927 3.628 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@H]3C2)cn1 ZINC001164767009 721216407 /nfs/dbraw/zinc/21/64/07/721216407.db2.gz JWBRAVIFULROQV-ZWKOTPCHSA-N 1 0 426.927 3.628 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4ccc(Cl)nc4Cl)C[C@H]3C2)cn1 ZINC001164766194 721236537 /nfs/dbraw/zinc/23/65/37/721236537.db2.gz SUYMZBPSABQKPH-UONOGXRCSA-N 1 0 432.302 3.505 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccccc4F)C[C@@H]3C2)cn1 ZINC001164760328 721238910 /nfs/dbraw/zinc/23/89/10/721238910.db2.gz DKRSURYFOFWKCG-IRXDYDNUSA-N 1 0 442.926 3.753 20 0 IHADRO C[N@H+](Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872032 721259187 /nfs/dbraw/zinc/25/91/87/721259187.db2.gz CPMSCUXPXPVGGL-OZXSUGGESA-N 1 0 434.584 3.624 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4ccsc43)C2)C1 ZINC001164776300 721331881 /nfs/dbraw/zinc/33/18/81/721331881.db2.gz DOQJCYREWWHXLS-JOCHJYFZSA-N 1 0 427.574 3.724 20 0 IHADRO COCCN1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)Cc2cccnc21 ZINC001164884780 721368754 /nfs/dbraw/zinc/36/87/54/721368754.db2.gz FJVFYKMTJCRFLK-UHFFFAOYSA-N 1 0 429.568 3.508 20 0 IHADRO CCc1nc2sccc2c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164787003 721371918 /nfs/dbraw/zinc/37/19/18/721371918.db2.gz WUCSUBYIIHDXGI-HSZRJFAPSA-N 1 0 441.601 3.978 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164886353 721384809 /nfs/dbraw/zinc/38/48/09/721384809.db2.gz FJLUIRCFPWPZSS-DNVCBOLYSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc(C(C)(C)C)sc54)C3)O2)CC1 ZINC001164887257 721396265 /nfs/dbraw/zinc/39/62/65/721396265.db2.gz HISFKKZBRLEBFE-UUOWRZLLSA-N 1 0 443.661 3.754 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nnc4-c4ccccc4)C3)O2)CC1 ZINC001164891141 721411711 /nfs/dbraw/zinc/41/17/11/721411711.db2.gz VHPOEFZOUCXSFM-RDPSFJRHSA-N 1 0 442.007 3.562 20 0 IHADRO COc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c2cc(Cl)ccc12 ZINC001164887697 721412068 /nfs/dbraw/zinc/41/20/68/721412068.db2.gz MJTPGRRSEDWHNL-YADARESESA-N 1 0 445.007 3.662 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883666 721418867 /nfs/dbraw/zinc/41/88/67/721418867.db2.gz BSINWECGXPBPIL-CYFREDJKSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1cc2nc(Cl)c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2cc1C ZINC001164890468 721421903 /nfs/dbraw/zinc/42/19/03/721421903.db2.gz SSELRNJUYJEBJO-DVECYGJZSA-N 1 0 444.023 3.665 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3sccc31)CC2 ZINC001164783872 721448514 /nfs/dbraw/zinc/44/85/14/721448514.db2.gz CWKXDMQASFZZKR-IBGZPJMESA-N 1 0 430.618 3.734 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164783991 721452650 /nfs/dbraw/zinc/45/26/50/721452650.db2.gz DDHAGKBCWLVCFK-FQEVSTJZSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164789423 721455058 /nfs/dbraw/zinc/45/50/58/721455058.db2.gz VWTKYPXPIVIKPP-IBGZPJMESA-N 1 0 434.024 3.958 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164783513 721457875 /nfs/dbraw/zinc/45/78/75/721457875.db2.gz DHCGURATNZQHTD-FQEVSTJZSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164786892 721458494 /nfs/dbraw/zinc/45/84/94/721458494.db2.gz QGPCOSJELDPAQF-MRXNPFEDSA-N 1 0 429.392 3.517 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164790040 721458519 /nfs/dbraw/zinc/45/85/19/721458519.db2.gz ZESIRWSXGFAPBS-IBGZPJMESA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccco3)n1)CC2 ZINC001164786641 721468690 /nfs/dbraw/zinc/46/86/90/721468690.db2.gz BVMPUOKAFQBHBS-OAQYLSRUSA-N 1 0 440.588 3.779 20 0 IHADRO CCOC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc1OCC ZINC001164791335 721494607 /nfs/dbraw/zinc/49/46/07/721494607.db2.gz APZBWTLRMRBMMM-UHFFFAOYSA-N 1 0 438.572 3.933 20 0 IHADRO Cc1nc(C)c(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)s1 ZINC001164903600 721561618 /nfs/dbraw/zinc/56/16/18/721561618.db2.gz CWSXVIKLUDOFCG-PKOBYXMFSA-N 1 0 425.533 3.698 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164799714 721572074 /nfs/dbraw/zinc/57/20/74/721572074.db2.gz DGHVLGYAKQYWCG-VWPQPMDRSA-N 1 0 448.571 3.692 20 0 IHADRO CCN(c1ccccc1)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncn1 ZINC001164807661 721585872 /nfs/dbraw/zinc/58/58/72/721585872.db2.gz PDPJUOCSVZTIGB-FXSPECFOSA-N 1 0 444.583 3.898 20 0 IHADRO COc1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908368 721693143 /nfs/dbraw/zinc/69/31/43/721693143.db2.gz YOAUPBJWSLCXCL-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO COC(=O)c1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905593 721702885 /nfs/dbraw/zinc/70/28/85/721702885.db2.gz KAVXOSIIXGEQHD-FQEVSTJZSA-N 1 0 436.890 3.654 20 0 IHADRO F[C@H](Oc1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906848 721703696 /nfs/dbraw/zinc/70/36/96/721703696.db2.gz ORVSRYYLRSZQFV-OALUTQOASA-N 1 0 426.870 3.995 20 0 IHADRO FC1(F)CCN(c2ncnc3cc(Cl)cnc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908253 721711762 /nfs/dbraw/zinc/71/17/62/721711762.db2.gz WTCINEUTGDPGDJ-FQEVSTJZSA-N 1 0 430.890 3.811 20 0 IHADRO CSc1ncc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907862 721721252 /nfs/dbraw/zinc/72/12/52/721721252.db2.gz UWFDMSGOJZKNCS-GOSISDBHSA-N 1 0 425.936 3.985 20 0 IHADRO CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001165008459 721728518 /nfs/dbraw/zinc/72/85/18/721728518.db2.gz OTNMVKRCHBQKGX-NRFANRHFSA-N 1 0 438.950 3.884 20 0 IHADRO CC(C)OC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912594 721734363 /nfs/dbraw/zinc/73/43/63/721734363.db2.gz OCYZNHQOWCDTEQ-QFIPXVFZSA-N 1 0 430.499 3.780 20 0 IHADRO COC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026125 721803787 /nfs/dbraw/zinc/80/37/87/721803787.db2.gz PYGJACPMSPRAFI-HARLFGEKSA-N 1 0 431.540 3.548 20 0 IHADRO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165027251 721804225 /nfs/dbraw/zinc/80/42/25/721804225.db2.gz UXVCZMFEXATELX-ZEYPLWLESA-N 1 0 431.540 3.548 20 0 IHADRO COc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165027166 721805153 /nfs/dbraw/zinc/80/51/53/721805153.db2.gz TZYWMHONVANZDV-UCNVEGJOSA-N 1 0 433.556 3.779 20 0 IHADRO CSc1nc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024869 721819105 /nfs/dbraw/zinc/81/91/05/721819105.db2.gz KRWMQHUQNNNATB-XIRDDKMYSA-N 1 0 426.615 3.940 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@@H]21 ZINC001165019099 721824251 /nfs/dbraw/zinc/82/42/51/721824251.db2.gz AVYRMKNCIKWDPC-VNQPRFMTSA-N 1 0 447.921 3.635 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@H]21 ZINC001165023964 721825194 /nfs/dbraw/zinc/82/51/94/721825194.db2.gz IXCYDPJRFMZCCK-KBAYOESNSA-N 1 0 437.922 3.729 20 0 IHADRO COC(=O)c1cc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C ZINC001165020693 721830050 /nfs/dbraw/zinc/83/00/50/721830050.db2.gz DFGDGTHQGOHEAL-NBHGPNQESA-N 1 0 428.964 3.962 20 0 IHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020681 721831366 /nfs/dbraw/zinc/83/13/66/721831366.db2.gz DEGLGTTZURCETO-JFRXWTBNSA-N 1 0 443.979 3.538 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3ncccc32)CC1 ZINC001165019386 721839106 /nfs/dbraw/zinc/83/91/06/721839106.db2.gz FKRVTONLOGMTHR-UHFFFAOYSA-N 1 0 427.936 3.796 20 0 IHADRO CCOC(=O)c1c(C)cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1C ZINC001165020546 721841900 /nfs/dbraw/zinc/84/19/00/721841900.db2.gz FSZMVZBLLWDCMW-UHFFFAOYSA-N 1 0 441.572 3.993 20 0 IHADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nccc(-c3cnc(N4CCCCC4)nc3)n2)c1 ZINC001164936886 721913114 /nfs/dbraw/zinc/91/31/14/721913114.db2.gz AQJYZUVRJSMMCI-BGYRXZFFSA-N 1 0 447.612 3.839 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc[nH]c5nc(=S)sc4-5)CC3)C2)cc1 ZINC001164940218 721929634 /nfs/dbraw/zinc/92/96/34/721929634.db2.gz SOFKPRKJXIHYLG-UHFFFAOYSA-N 1 0 427.599 3.555 20 0 IHADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc21 ZINC001165049790 721974576 /nfs/dbraw/zinc/97/45/76/721974576.db2.gz RHUFNBWDFXMCOM-HXUWFJFHSA-N 1 0 439.585 3.513 20 0 IHADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1C ZINC001165048086 721975488 /nfs/dbraw/zinc/97/54/88/721975488.db2.gz IYABLLZCRNNZNX-HXUWFJFHSA-N 1 0 443.661 3.985 20 0 IHADRO Clc1nc2c(Cl)ncnc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164963915 722023477 /nfs/dbraw/zinc/02/34/77/722023477.db2.gz USCLMXGSOSYSLR-UHFFFAOYSA-N 1 0 430.343 3.614 20 0 IHADRO Clc1ccc(CN2CCCC2)c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)n1 ZINC001164958892 722051132 /nfs/dbraw/zinc/05/11/32/722051132.db2.gz HLRKVPPKXBGTSB-SFGWALBWSA-N 1 0 427.980 3.631 20 0 IHADRO Clc1ncnc2scc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c21 ZINC001164964044 722054719 /nfs/dbraw/zinc/05/47/19/722054719.db2.gz RCOSVQXREGSVHW-UHFFFAOYSA-N 1 0 429.977 3.859 20 0 IHADRO COc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164961668 722059772 /nfs/dbraw/zinc/05/97/72/722059772.db2.gz NTORMCQXPCEDTI-UHFFFAOYSA-N 1 0 445.567 3.666 20 0 IHADRO Fc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164959984 722060692 /nfs/dbraw/zinc/06/06/92/722060692.db2.gz BNXHMJNNIQRIAL-UHFFFAOYSA-N 1 0 433.531 3.797 20 0 IHADRO CC(C)c1noc(-c2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)n1 ZINC001164962210 722060831 /nfs/dbraw/zinc/06/08/31/722060831.db2.gz PZXILDRDGCDHDC-UHFFFAOYSA-N 1 0 448.571 3.769 20 0 IHADRO FC(F)(Oc1ccnc(Cl)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966441 722061901 /nfs/dbraw/zinc/06/19/01/722061901.db2.gz SYMTVCGNWWDSHW-UHFFFAOYSA-N 1 0 438.906 3.674 20 0 IHADRO Cc1cncc(COCc2cnc3n2CCN(c2ccc(C[N@H+](C)C4CC4)cn2)[C@@H]3C)c1 ZINC001164966025 722063384 /nfs/dbraw/zinc/06/33/84/722063384.db2.gz NMZVOBOJSLGKOH-LJQANCHMSA-N 1 0 432.572 3.874 20 0 IHADRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164963647 722064409 /nfs/dbraw/zinc/06/44/09/722064409.db2.gz BVMWIXMQTGKHOE-PKTZIBPZSA-N 1 0 445.592 3.590 20 0 IHADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980718 722102136 /nfs/dbraw/zinc/10/21/36/722102136.db2.gz JYXBNKNZRYQTQY-NVXWUHKLSA-N 1 0 426.870 3.541 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164971875 722108978 /nfs/dbraw/zinc/10/89/78/722108978.db2.gz CYMONOMHBXRMTI-FUHWJXTLSA-N 1 0 429.977 3.775 20 0 IHADRO c1[nH]c2ccccc2c1-c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981116 722114683 /nfs/dbraw/zinc/11/46/83/722114683.db2.gz SSNGWSQYNOMYHF-CJFMBICVSA-N 1 0 440.551 3.747 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977972 722137295 /nfs/dbraw/zinc/13/72/95/722137295.db2.gz IYFICSFXAGTSBC-UYAOXDASSA-N 1 0 440.979 3.788 20 0 IHADRO Clc1cccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164974357 722141208 /nfs/dbraw/zinc/14/12/08/722141208.db2.gz DJHCNRUHVZYLFU-REWPJTCUSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1cccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164974350 722141417 /nfs/dbraw/zinc/14/14/17/722141417.db2.gz DJHCNRUHVZYLFU-NFBKMPQASA-N 1 0 435.959 3.919 20 0 IHADRO Fc1cccc(F)c1-c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973099 722147217 /nfs/dbraw/zinc/14/72/17/722147217.db2.gz AYAHOKARESBWEU-AVRDEDQJSA-N 1 0 437.494 3.544 20 0 IHADRO COC(=O)c1cc2c(OC)[nH]c(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc-2n1 ZINC001164995353 722199116 /nfs/dbraw/zinc/19/91/16/722199116.db2.gz UWPNNZFXAWVMOB-XMMPIXPASA-N 1 0 438.503 3.742 20 0 IHADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164997237 722201122 /nfs/dbraw/zinc/20/11/22/722201122.db2.gz XLCSIHDZPUQYCO-JOCHJYFZSA-N 1 0 432.927 3.752 20 0 IHADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994935 722205263 /nfs/dbraw/zinc/20/52/63/722205263.db2.gz JVDGDJADSZEDMQ-RUZDIDTESA-N 1 0 440.563 3.943 20 0 IHADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994861 722205777 /nfs/dbraw/zinc/20/57/77/722205777.db2.gz IZOIQXORASAEAQ-XMMPIXPASA-N 1 0 437.519 3.529 20 0 IHADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(F)(F)F ZINC000604766079 1126099788 /nfs/dbraw/zinc/09/97/88/1126099788.db2.gz OMAZKUZYZLJTFO-MAUKXSAKSA-N 1 0 446.263 3.844 20 0 IHADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000800239083 1126110600 /nfs/dbraw/zinc/11/06/00/1126110600.db2.gz KEVZEOUKVINLKJ-QFIPXVFZSA-N 1 0 432.590 3.607 20 0 IHADRO Cn1ccnc1COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001176587601 1126149623 /nfs/dbraw/zinc/14/96/23/1126149623.db2.gz MCROLVXWJFIQHQ-JOCHJYFZSA-N 1 0 444.373 3.845 20 0 IHADRO CCc1cc2c(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cc(=O)oc2cc1O ZINC001198219971 1126155081 /nfs/dbraw/zinc/15/50/81/1126155081.db2.gz USBVNQDEJAXLDH-QFIPXVFZSA-N 1 0 446.341 3.907 20 0 IHADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001308119322 1126164449 /nfs/dbraw/zinc/16/44/49/1126164449.db2.gz ZUSHIRRBJJLOCS-IBGZPJMESA-N 1 0 426.738 3.972 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001460859343 1126192439 /nfs/dbraw/zinc/19/24/39/1126192439.db2.gz COYJXENXJJXJBJ-IBGZPJMESA-N 1 0 436.737 3.835 20 0 IHADRO COC(OC)c1ccc(F)c(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001474226504 1126203051 /nfs/dbraw/zinc/20/30/51/1126203051.db2.gz DWQOLPPHKAOTHT-HXUWFJFHSA-N 1 0 426.326 3.963 20 0 IHADRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c(Br)cn1 ZINC001620623690 1126241094 /nfs/dbraw/zinc/24/10/94/1126241094.db2.gz DWXXDPUIKVRVQB-KRWDZBQOSA-N 1 0 444.167 3.699 20 0 IHADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(F)cc1I ZINC001621022411 1126244613 /nfs/dbraw/zinc/24/46/13/1126244613.db2.gz WADBTQGUMFOOTB-SFHVURJKSA-N 1 0 429.273 3.522 20 0 IHADRO [NH3+]CC1(F)CCN([C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)CC1 ZINC001164393147 718812876 /nfs/dbraw/zinc/81/28/76/718812876.db2.gz QUKWKLFGKRZSDV-FQEVSTJZSA-N 1 0 442.341 3.684 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1Cl ZINC001164386956 718814227 /nfs/dbraw/zinc/81/42/27/718814227.db2.gz CIGMTIHPDCMNNO-CQSZACIVSA-N 1 0 427.801 3.577 20 0 IHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001164389380 718814934 /nfs/dbraw/zinc/81/49/34/718814934.db2.gz VTGLTNJWFZLCQJ-CQSZACIVSA-N 1 0 427.801 3.577 20 0 IHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164388541 718815131 /nfs/dbraw/zinc/81/51/31/718815131.db2.gz PLNWSXHFNXYVKM-AWEZNQCLSA-N 1 0 427.801 3.577 20 0 IHADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413201 718879895 /nfs/dbraw/zinc/87/98/95/718879895.db2.gz DALDSOHFJIECOL-LLVKDONJSA-N 1 0 442.816 3.505 20 0 IHADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416183 718884816 /nfs/dbraw/zinc/88/48/16/718884816.db2.gz TUBANSYDSHISFL-UHFFFAOYSA-N 1 0 430.890 3.637 20 0 IHADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416188 718884904 /nfs/dbraw/zinc/88/49/04/718884904.db2.gz TZJQSGOFAJDEPW-UHFFFAOYSA-N 1 0 439.297 3.777 20 0 IHADRO Brc1cccc2c([C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CCO3)ncn21 ZINC001164418029 718890820 /nfs/dbraw/zinc/89/08/20/718890820.db2.gz NCPSDNBELQGVPX-SFHVURJKSA-N 1 0 442.361 3.666 20 0 IHADRO Fc1ccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)cnc2Cl)cc1 ZINC001164423169 718918363 /nfs/dbraw/zinc/91/83/63/718918363.db2.gz FBECYISWAMKQRN-HXUWFJFHSA-N 1 0 441.881 3.671 20 0 IHADRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164428247 718954458 /nfs/dbraw/zinc/95/44/58/718954458.db2.gz IGCRDURXYKHNHM-XMMPIXPASA-N 1 0 448.611 3.679 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)CC1 ZINC001164613764 719022009 /nfs/dbraw/zinc/02/20/09/719022009.db2.gz CMXXUKRAPUEAMS-UHFFFAOYSA-N 1 0 437.318 3.572 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(-c4c[nH]c5ccccc54)n3)CC2)CC1 ZINC001164614287 719025958 /nfs/dbraw/zinc/02/59/58/719025958.db2.gz QWRHEPUHIHHASR-UHFFFAOYSA-N 1 0 433.556 3.869 20 0 IHADRO c1ccc(CN2CCc3c(ncnc3N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001164625395 719045710 /nfs/dbraw/zinc/04/57/10/719045710.db2.gz PLQQZWZTTRTIBU-SQHAQQRYSA-N 1 0 425.580 3.618 20 0 IHADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624049 719049482 /nfs/dbraw/zinc/04/94/82/719049482.db2.gz NSQITHLHJKVHIH-YLJYHZDGSA-N 1 0 436.890 3.955 20 0 IHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC001164625954 719095087 /nfs/dbraw/zinc/09/50/87/719095087.db2.gz HTCUYUNGPNPJRF-APWZRJJASA-N 1 0 439.947 3.509 20 0 IHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@H](CF)[C@@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164620593 719122560 /nfs/dbraw/zinc/12/25/60/719122560.db2.gz IROOXPTZIGDSLQ-RYRKJORJSA-N 1 0 443.636 3.925 20 0 IHADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164620577 719122573 /nfs/dbraw/zinc/12/25/73/719122573.db2.gz ILELBPKFVXOJBE-NVXWUHKLSA-N 1 0 429.609 3.679 20 0 IHADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H](CF)[C@@H](C5([NH3+])CC5)C3)n2)CCC4)CC1 ZINC001164625868 719122898 /nfs/dbraw/zinc/12/28/98/719122898.db2.gz ZFCQNUZYRIPPAE-WMZOPIPTSA-N 1 0 443.636 3.925 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164675157 719440942 /nfs/dbraw/zinc/44/09/42/719440942.db2.gz ZHBDJTGACHNTBO-NHCUHLMSSA-N 1 0 449.624 3.863 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164675160 719441374 /nfs/dbraw/zinc/44/13/74/719441374.db2.gz ZHBDJTGACHNTBO-RTWAWAEBSA-N 1 0 449.624 3.863 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164667491 719441717 /nfs/dbraw/zinc/44/17/17/719441717.db2.gz HCTIQJBVLWJNFJ-PMACEKPBSA-N 1 0 429.549 3.940 20 0 IHADRO CC(C)N(C)Cc1nn(-c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)c2c1CC[NH2+]C2 ZINC001164679742 719641345 /nfs/dbraw/zinc/64/13/45/719641345.db2.gz LGLQRPIPTSFZCM-UHFFFAOYSA-N 1 0 438.963 3.659 20 0 IHADRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C2CC2)n1 ZINC001164684662 719679477 /nfs/dbraw/zinc/67/94/77/719679477.db2.gz VCMJOEJTOINNPL-OAQYLSRUSA-N 1 0 447.627 3.756 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)CC2 ZINC001164686578 719725082 /nfs/dbraw/zinc/72/50/82/719725082.db2.gz PJHLXLQQCXSLGA-UHFFFAOYSA-N 1 0 447.558 3.925 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164689537 719742547 /nfs/dbraw/zinc/74/25/47/719742547.db2.gz GWYNTBMBVBILMQ-UHFFFAOYSA-N 1 0 449.933 3.523 20 0 IHADRO CC(C)Oc1ncnc2c1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164697109 719790674 /nfs/dbraw/zinc/79/06/74/719790674.db2.gz YSDLMGXRUBZTPN-UHFFFAOYSA-N 1 0 429.568 3.822 20 0 IHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)c(F)c4c2C(=O)NC4)CC3)cs1 ZINC001164694457 719809632 /nfs/dbraw/zinc/80/96/32/719809632.db2.gz YEWLPNXBZZHEIK-UHFFFAOYSA-N 1 0 435.956 3.517 20 0 IHADRO COC(=O)c1cc2c[nH]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)cc-2n1 ZINC001164694038 719811667 /nfs/dbraw/zinc/81/16/67/719811667.db2.gz ZWNBWPAKFABEQS-UHFFFAOYSA-N 1 0 425.558 3.749 20 0 IHADRO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c2CN(C)CC4)CC3)cs1 ZINC001164703239 719816359 /nfs/dbraw/zinc/81/63/59/719816359.db2.gz UYULWAHISYLXGV-UHFFFAOYSA-N 1 0 433.025 3.518 20 0 IHADRO COC(=O)c1ccc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164696051 719890464 /nfs/dbraw/zinc/89/04/64/719890464.db2.gz VOZQYTXWJPGYID-UHFFFAOYSA-N 1 0 437.565 3.954 20 0 IHADRO FC(F)(COc1ccc(Cl)nn1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697545 719897630 /nfs/dbraw/zinc/89/76/30/719897630.db2.gz KSWXKDUIZXDXTO-UHFFFAOYSA-N 1 0 444.935 3.530 20 0 IHADRO CCCSc1ncnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1OC ZINC001164705928 719907989 /nfs/dbraw/zinc/90/79/89/719907989.db2.gz FZGRQTXSXLYZPE-UHFFFAOYSA-N 1 0 434.631 3.920 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccoc31)CC2 ZINC001164711516 720101199 /nfs/dbraw/zinc/10/11/99/720101199.db2.gz QGVKADQANRVHSU-KRWDZBQOSA-N 1 0 427.936 3.779 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164710668 720103406 /nfs/dbraw/zinc/10/34/06/720103406.db2.gz KVYYLDWVNUADNU-QGZVFWFLSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1SC)CC2 ZINC001164718540 720122150 /nfs/dbraw/zinc/12/21/50/720122150.db2.gz RXHPYKZSCKUNBK-KRWDZBQOSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164711283 720129776 /nfs/dbraw/zinc/12/97/76/720129776.db2.gz GZUYQYASOXEXKP-FQEVSTJZSA-N 1 0 448.546 3.580 20 0 IHADRO CCOC(=O)c1cc2c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)[nH]c(C)c(C)c-2n1 ZINC001164808499 720133382 /nfs/dbraw/zinc/13/33/82/720133382.db2.gz FHUVEBXRYQITMH-CLOONOSVSA-N 1 0 440.588 3.541 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)C2 ZINC001164816863 720173122 /nfs/dbraw/zinc/17/31/22/720173122.db2.gz NMHCEFUEFGRYQQ-CPJSRVTESA-N 1 0 433.556 3.778 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164817092 720193779 /nfs/dbraw/zinc/19/37/79/720193779.db2.gz NYELSRUIXJIOIX-WZONZLPQSA-N 1 0 435.996 3.875 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(Cl)nc1-c1ccccc1)CCC2 ZINC001164814488 720240078 /nfs/dbraw/zinc/24/00/78/720240078.db2.gz VGOVEBLSCXIXTN-UHFFFAOYSA-N 1 0 438.963 3.604 20 0 IHADRO COc1cccc2c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc(Cl)nc12 ZINC001164817620 720288820 /nfs/dbraw/zinc/28/88/20/720288820.db2.gz FHCOMFMXYOHEMK-OALUTQOASA-N 1 0 442.991 3.808 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)CC1 ZINC001164824558 720293532 /nfs/dbraw/zinc/29/35/32/720293532.db2.gz RMJBXSMSBGMHSY-IRXDYDNUSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)CC1 ZINC001164820631 720293890 /nfs/dbraw/zinc/29/38/90/720293890.db2.gz HWYJZLOVSHWONY-HOTGVXAUSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cc(C(C)(C)C)sc32)CC1 ZINC001164827387 720306094 /nfs/dbraw/zinc/30/60/94/720306094.db2.gz XKQDBZGPUMTUNT-OALUTQOASA-N 1 0 441.645 3.900 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc3ccc(F)cc32)CC1 ZINC001164821007 720306894 /nfs/dbraw/zinc/30/68/94/720306894.db2.gz IUCJREYRPNPQBC-UXHICEINSA-N 1 0 430.955 3.939 20 0 IHADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818628 720309285 /nfs/dbraw/zinc/30/92/85/720309285.db2.gz AVRXUTUKHOFAIO-MOPGFXCFSA-N 1 0 427.980 3.503 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164828336 720309332 /nfs/dbraw/zinc/30/93/32/720309332.db2.gz ZYWPMSDQCYDGSO-SJORKVTESA-N 1 0 434.009 3.565 20 0 IHADRO Cc1ccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC001164827973 720314648 /nfs/dbraw/zinc/31/46/48/720314648.db2.gz YULBWHKLLRGKTQ-VQTJNVASSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(-c3c[nH]c4ccccc34)n2)CC1 ZINC001164831921 720316263 /nfs/dbraw/zinc/31/62/63/720316263.db2.gz SBESDJLVOGNUFN-RPWUZVMVSA-N 1 0 444.583 3.536 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3cccc(Cl)c32)CC1 ZINC001164827814 720318767 /nfs/dbraw/zinc/31/87/67/720318767.db2.gz ISGIICFOQHJXMG-QZTJIDSGSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164822762 720343170 /nfs/dbraw/zinc/34/31/70/720343170.db2.gz FEQWYCYYPMZANY-DNQXCXABSA-N 1 0 433.600 3.672 20 0 IHADRO CC(C)c1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C(C)(C)C)n1 ZINC001164824213 720345613 /nfs/dbraw/zinc/34/56/13/720345613.db2.gz HPQKHEPDVMXFCM-UXHICEINSA-N 1 0 427.637 3.809 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831660 720350832 /nfs/dbraw/zinc/35/08/32/720350832.db2.gz ZLIGNFZJJQTYBH-OALUTQOASA-N 1 0 434.028 3.548 20 0 IHADRO O=C(c1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729822 720351391 /nfs/dbraw/zinc/35/13/91/720351391.db2.gz YLHWSQOQYWDPDK-VQTJNVASSA-N 1 0 425.964 3.609 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828665 720352474 /nfs/dbraw/zinc/35/24/74/720352474.db2.gz PBJSCOODHICWPT-RTBURBONSA-N 1 0 432.012 3.617 20 0 IHADRO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1-c1ccccc1F ZINC001164829524 720352556 /nfs/dbraw/zinc/35/25/56/720352556.db2.gz SKADRLWVRIMUSC-FCHUYYIVSA-N 1 0 437.563 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2c(Cl)ccc3c(Cl)ncnc32)CC1 ZINC001164831681 720354736 /nfs/dbraw/zinc/35/47/36/720354736.db2.gz ZMVGIDPJMGTEEV-QZTJIDSGSA-N 1 0 448.398 3.848 20 0 IHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723109 720371631 /nfs/dbraw/zinc/37/16/31/720371631.db2.gz GESJLMMYRZTOKG-RBUKOAKNSA-N 1 0 435.553 3.630 20 0 IHADRO COc1cc2nc(Cl)c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1OC ZINC001164725053 720387950 /nfs/dbraw/zinc/38/79/50/720387950.db2.gz LKYMHFGNOZPHSW-ZWKOTPCHSA-N 1 0 425.920 3.549 20 0 IHADRO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164722430 720471821 /nfs/dbraw/zinc/47/18/21/720471821.db2.gz AJVPYPBSQYLKAI-LOSJGSFVSA-N 1 0 429.568 3.941 20 0 IHADRO C[N@H+](Cc1ccc(N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730189 720495313 /nfs/dbraw/zinc/49/53/13/720495313.db2.gz SSORTUNUFNGNSY-NBGIEHNGSA-N 1 0 440.563 3.539 20 0 IHADRO COc1ccc(-c2nc3ccc(F)cc3c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)cc1 ZINC001164727004 720510273 /nfs/dbraw/zinc/51/02/73/720510273.db2.gz AMVSTPOVXUOSNA-QGZVFWFLSA-N 1 0 446.530 3.839 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835761 720514020 /nfs/dbraw/zinc/51/40/20/720514020.db2.gz LDZZPIKZHZDMMP-QLFBSQMISA-N 1 0 445.345 3.903 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc(Cl)nc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833302 720524559 /nfs/dbraw/zinc/52/45/59/720524559.db2.gz CZVFVLFBBWXSDK-XYJFISCASA-N 1 0 425.911 3.734 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3cccc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837934 720524607 /nfs/dbraw/zinc/52/46/07/720524607.db2.gz QQJSWUSABSRNDZ-YESZJQIVSA-N 1 0 425.911 3.734 20 0 IHADRO CCc1ccccc1Oc1nc(Cl)ncc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164733676 720533055 /nfs/dbraw/zinc/53/30/55/720533055.db2.gz FBGWXKHRJSNHLY-MRXNPFEDSA-N 1 0 426.952 3.879 20 0 IHADRO CSc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n1)CCCC2 ZINC001164839584 720537611 /nfs/dbraw/zinc/53/76/11/720537611.db2.gz QQQFXLANFFYYJE-LVCYWYKZSA-N 1 0 426.634 3.652 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ccc3CN3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842937 720558268 /nfs/dbraw/zinc/55/82/68/720558268.db2.gz ZBQGBADJDQKXPI-BHIFYINESA-N 1 0 443.039 3.905 20 0 IHADRO COc1cc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1OC ZINC001164838952 720562525 /nfs/dbraw/zinc/56/25/25/720562525.db2.gz OYKSYHLPKMBJIW-KCZVDYSFSA-N 1 0 435.572 3.826 20 0 IHADRO Fc1ccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001164736684 720582649 /nfs/dbraw/zinc/58/26/49/720582649.db2.gz QUINGDWTVZGUAR-UHFFFAOYSA-N 1 0 442.926 3.916 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)CC[C@@H]21 ZINC001164840173 720596003 /nfs/dbraw/zinc/59/60/03/720596003.db2.gz PEJRAQNTRAFHCF-HFMPRLQTSA-N 1 0 445.615 3.804 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4c(F)cccc4F)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844157 720620523 /nfs/dbraw/zinc/62/05/23/720620523.db2.gz ZLVFPOQOQFBGFC-KGVIQGDOSA-N 1 0 438.526 3.996 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838725 720633813 /nfs/dbraw/zinc/63/38/13/720633813.db2.gz LDEUBPRQJGCVKY-PCCBWWKXSA-N 1 0 433.560 3.583 20 0 IHADRO COc1cc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844173 720638878 /nfs/dbraw/zinc/63/88/78/720638878.db2.gz ZOPDEUCNJBOMJN-SELNLUPBSA-N 1 0 435.572 3.826 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835981 720639642 /nfs/dbraw/zinc/63/96/42/720639642.db2.gz DHQLCWGPETZPIL-SVFBPWRDSA-N 1 0 437.979 3.766 20 0 IHADRO COC(=O)c1cc2c[nH]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc-2n1 ZINC001164841020 720706984 /nfs/dbraw/zinc/70/69/84/720706984.db2.gz UJCLUNCCQCRDFK-HXUWFJFHSA-N 1 0 434.540 3.609 20 0 IHADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742135 720787388 /nfs/dbraw/zinc/78/73/88/720787388.db2.gz CHDWSBYTCVPJJL-SJORKVTESA-N 1 0 431.874 3.565 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccsc2n1 ZINC001164742683 720822526 /nfs/dbraw/zinc/82/25/26/720822526.db2.gz QMFOTJAKHKXXLO-SOLBZPMBSA-N 1 0 428.993 3.921 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2sccc2n1 ZINC001164739211 720822768 /nfs/dbraw/zinc/82/27/68/720822768.db2.gz HSMGMMDEHAFNRC-LZLYRXPVSA-N 1 0 428.993 3.921 20 0 IHADRO Clc1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164740023 720837277 /nfs/dbraw/zinc/83/72/77/720837277.db2.gz BOXCESKIIFGBSQ-SELNLUPBSA-N 1 0 449.990 3.768 20 0 IHADRO FC(F)c1nc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751095 720851008 /nfs/dbraw/zinc/85/10/08/720851008.db2.gz YMGSDLDLMQUYJZ-MBOZVWFJSA-N 1 0 439.514 3.538 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164747595 720852425 /nfs/dbraw/zinc/85/24/25/720852425.db2.gz IDFBQVWXWZGIFJ-JBRSBNLGSA-N 1 0 443.599 3.677 20 0 IHADRO Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164748054 720868186 /nfs/dbraw/zinc/86/81/86/720868186.db2.gz DNLAKNXCFLPPIJ-XUZZJYLKSA-N 1 0 442.007 3.897 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC[C@@H]2C1 ZINC001164857540 720873544 /nfs/dbraw/zinc/87/35/44/720873544.db2.gz JVUUDHIAQMOSRN-XLIONFOSSA-N 1 0 442.560 3.671 20 0 IHADRO Fc1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752984 720875809 /nfs/dbraw/zinc/87/58/09/720875809.db2.gz OBIQEANSWKWNME-HFZDXXHNSA-N 1 0 447.558 3.919 20 0 IHADRO c1coc(-c2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cn2)c1 ZINC001164750476 720885525 /nfs/dbraw/zinc/88/55/25/720885525.db2.gz BHNMLLQBYHDRTE-BKMJKUGQSA-N 1 0 445.567 3.887 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncnc4c2CCCC4)C3)c1 ZINC001164756281 720885692 /nfs/dbraw/zinc/88/56/92/720885692.db2.gz PBDDNIGDCVRPQS-GJZUVCINSA-N 1 0 433.600 3.506 20 0 IHADRO COc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755686 720887393 /nfs/dbraw/zinc/88/73/93/720887393.db2.gz MNZNLCWTHCWNBB-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO c1c[nH]c(-c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)n1 ZINC001164754374 720899487 /nfs/dbraw/zinc/89/94/87/720899487.db2.gz IPRKOEKUMJOPOS-JYFHCDHNSA-N 1 0 444.583 3.622 20 0 IHADRO FC(F)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755062 720930395 /nfs/dbraw/zinc/93/03/95/720930395.db2.gz XZRIAQKLGMZYSH-REWPJTCUSA-N 1 0 429.515 3.564 20 0 IHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164861842 720956533 /nfs/dbraw/zinc/95/65/33/720956533.db2.gz ULQSMQXMOONAQX-ZDUSSCGKSA-N 1 0 441.910 3.684 20 0 IHADRO COc1ccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nn2)c(OC)c1 ZINC001164861397 721011008 /nfs/dbraw/zinc/01/10/08/721011008.db2.gz OITSNQWKOPLWKC-QGZVFWFLSA-N 1 0 436.560 3.779 20 0 IHADRO CNC(=O)c1cc(Cl)nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164759152 721046758 /nfs/dbraw/zinc/04/67/58/721046758.db2.gz HPFIOQONXJEKKC-UHFFFAOYSA-N 1 0 427.980 3.681 20 0 IHADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869927 721062906 /nfs/dbraw/zinc/06/29/06/721062906.db2.gz UNLCGDQYSXYVRY-ZWKOTPCHSA-N 1 0 445.901 3.703 20 0 IHADRO Clc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164868118 721074483 /nfs/dbraw/zinc/07/44/83/721074483.db2.gz MJFKXYHPLYFWFV-DLBZAZTESA-N 1 0 430.339 3.811 20 0 IHADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867079 721075755 /nfs/dbraw/zinc/07/57/55/721075755.db2.gz HOQRZECIDIGFAJ-MSOLQXFVSA-N 1 0 445.901 3.703 20 0 IHADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866959 721080083 /nfs/dbraw/zinc/08/00/83/721080083.db2.gz VPFIKOMTCDZCJX-QZTJIDSGSA-N 1 0 445.901 3.703 20 0 IHADRO Clc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864927 721086520 /nfs/dbraw/zinc/08/65/20/721086520.db2.gz HNVODNLBIWBOPR-IAGOWNOFSA-N 1 0 430.339 3.811 20 0 IHADRO Clc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865800 721088115 /nfs/dbraw/zinc/08/81/15/721088115.db2.gz PPCIWUNEWKVLOD-HZPDHXFCSA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C[C@H]3C2)cn1 ZINC001164771336 721119176 /nfs/dbraw/zinc/11/91/76/721119176.db2.gz SDYHCVZFHYYJNJ-HZPDHXFCSA-N 1 0 432.906 3.520 20 0 IHADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164876973 721138943 /nfs/dbraw/zinc/13/89/43/721138943.db2.gz NHEDKTVXLCPPIL-MOPGFXCFSA-N 1 0 435.597 3.753 20 0 IHADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164881206 721140603 /nfs/dbraw/zinc/14/06/03/721140603.db2.gz ZVQNAZRAWLIONE-YADHBBJMSA-N 1 0 438.535 3.567 20 0 IHADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164878511 721173501 /nfs/dbraw/zinc/17/35/01/721173501.db2.gz QJGPJYPUHLNKOM-UXHICEINSA-N 1 0 444.564 3.628 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164880701 721177882 /nfs/dbraw/zinc/17/78/82/721177882.db2.gz XDDIXDXBOLVCDU-RTBURBONSA-N 1 0 444.963 3.565 20 0 IHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869277 721185851 /nfs/dbraw/zinc/18/58/51/721185851.db2.gz PWKSGWYWBLCQHT-HOCLYGCPSA-N 1 0 445.297 3.688 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@H]3C2)cn1 ZINC001164772374 721198139 /nfs/dbraw/zinc/19/81/39/721198139.db2.gz UGCJOZVCZWHTRG-DLBZAZTESA-N 1 0 442.926 3.753 20 0 IHADRO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764588 721238554 /nfs/dbraw/zinc/23/85/54/721238554.db2.gz OWNVMDJYUCBASE-OALUTQOASA-N 1 0 438.963 3.923 20 0 IHADRO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164763270 721238793 /nfs/dbraw/zinc/23/87/93/721238793.db2.gz NALTZDGNPLRHRS-MOPGFXCFSA-N 1 0 438.963 3.923 20 0 IHADRO Cc1cc2c(ncnc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)s1 ZINC001164778106 721330452 /nfs/dbraw/zinc/33/04/52/721330452.db2.gz UMBSURQPJVAEJL-JOCHJYFZSA-N 1 0 427.574 3.724 20 0 IHADRO CCc1cc2c(ncnc2N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)s1 ZINC001164777358 721349548 /nfs/dbraw/zinc/34/95/48/721349548.db2.gz GLCURZCBXBOKIW-QHCPKHFHSA-N 1 0 441.601 3.978 20 0 IHADRO COc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc2ccccc21 ZINC001164779945 721360438 /nfs/dbraw/zinc/36/04/38/721360438.db2.gz BABRUIWTOIPHKN-VWLOTQADSA-N 1 0 436.556 3.967 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)nc1 ZINC001164881239 721367083 /nfs/dbraw/zinc/36/70/83/721367083.db2.gz ANBFDFGZJAHOPL-DNVJHFABSA-N 1 0 438.547 3.778 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc5ccc(F)cc54)C3)O2)CC1 ZINC001164886101 721397545 /nfs/dbraw/zinc/39/75/45/721397545.db2.gz DLAXQVDFGASZJF-WMZHIEFXSA-N 1 0 432.971 3.793 20 0 IHADRO Cc1ccc2cc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164890554 721423716 /nfs/dbraw/zinc/42/37/16/721423716.db2.gz SZNZJWOYTDNTCZ-YKSBVNFPSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1c(Cl)ccc2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164896199 721427661 /nfs/dbraw/zinc/42/76/61/721427661.db2.gz RBMBIURTDSKSSP-GBXCKJPGSA-N 1 0 429.008 3.962 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164786766 721460023 /nfs/dbraw/zinc/46/00/23/721460023.db2.gz PHGBOUKXRKAIQQ-WIYYLYMNSA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164785557 721460030 /nfs/dbraw/zinc/46/00/30/721460030.db2.gz LWTVSFYSBCJDPH-NQIIRXRSSA-N 1 0 441.975 3.596 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164789390 721461485 /nfs/dbraw/zinc/46/14/85/721461485.db2.gz XPXYONNDKGEUBF-FQEVSTJZSA-N 1 0 449.599 3.845 20 0 IHADRO CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)Cc2cnn(C)c21 ZINC001164793484 721478812 /nfs/dbraw/zinc/47/88/12/721478812.db2.gz WBXVRAQTNRSLIR-MRXNPFEDSA-N 1 0 437.922 3.530 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164795454 721500731 /nfs/dbraw/zinc/50/07/31/721500731.db2.gz HMQKHHLCEKGCGM-UHFFFAOYSA-N 1 0 447.921 3.779 20 0 IHADRO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795576 721504138 /nfs/dbraw/zinc/50/41/38/721504138.db2.gz LRBAILLQPXSMPU-UHFFFAOYSA-N 1 0 437.922 3.960 20 0 IHADRO COc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899039 721508646 /nfs/dbraw/zinc/50/86/46/721508646.db2.gz JRVVMWWSLODNIS-YJBOKZPZSA-N 1 0 428.895 3.773 20 0 IHADRO COc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164908335 721538153 /nfs/dbraw/zinc/53/81/53/721538153.db2.gz PTKNJVMBTOMTJW-WBVHZDCISA-N 1 0 428.895 3.773 20 0 IHADRO Cc1nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(Cl)c1C ZINC001164908095 721542577 /nfs/dbraw/zinc/54/25/77/721542577.db2.gz OQEZZRMYRPYBOE-WBVHZDCISA-N 1 0 426.870 3.773 20 0 IHADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909213 721561626 /nfs/dbraw/zinc/56/16/26/721561626.db2.gz SYPNUVWMOMZDSQ-RBBKRZOGSA-N 1 0 447.514 3.518 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164799710 721572051 /nfs/dbraw/zinc/57/20/51/721572051.db2.gz DGHVLGYAKQYWCG-SJBKTWHCSA-N 1 0 448.571 3.692 20 0 IHADRO CCOC(=O)/C=C\c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906607 721585626 /nfs/dbraw/zinc/58/56/26/721585626.db2.gz NQKDCKGLKBTEJS-AXKGWLQCSA-N 1 0 442.510 3.791 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c32)[C@H]2CCCO[C@H]12 ZINC001164804085 721591280 /nfs/dbraw/zinc/59/12/80/721591280.db2.gz IGFIQCUGVFXXSQ-VWPQPMDRSA-N 1 0 432.503 3.513 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3c2SCC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906646 721698242 /nfs/dbraw/zinc/69/82/42/721698242.db2.gz NVTXGVVMOZARNY-IBGZPJMESA-N 1 0 437.947 3.911 20 0 IHADRO COC(=O)c1ccc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907771 721707808 /nfs/dbraw/zinc/70/78/08/721707808.db2.gz TZYUTPQSFBOKBR-HXUWFJFHSA-N 1 0 436.890 3.654 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(Cl)nc2Oc2ccccc2F)CC1 ZINC001165012183 721749998 /nfs/dbraw/zinc/74/99/98/721749998.db2.gz BIYQZUMCHHOEQH-UHFFFAOYSA-N 1 0 447.942 3.584 20 0 IHADRO NC(=O)c1ccc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1Cl ZINC001165015975 721766884 /nfs/dbraw/zinc/76/68/84/721766884.db2.gz UOMWDXGKOZCHMO-UHFFFAOYSA-N 1 0 443.841 3.890 20 0 IHADRO COc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c(OC)c1 ZINC001165029638 721814788 /nfs/dbraw/zinc/81/47/88/721814788.db2.gz ZWRUZLRXUQQTJM-UCNVEGJOSA-N 1 0 433.556 3.779 20 0 IHADRO CCOC(=O)c1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncc1C ZINC001165022662 721841697 /nfs/dbraw/zinc/84/16/97/721841697.db2.gz RPTMRIMJSSLFDT-UHFFFAOYSA-N 1 0 427.545 3.685 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(-c3ccncc3)nc(C)n2)CC1 ZINC001165020396 721844194 /nfs/dbraw/zinc/84/41/94/721844194.db2.gz DBNZEXXGRFYCRI-UHFFFAOYSA-N 1 0 433.556 3.965 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923127 721866402 /nfs/dbraw/zinc/86/64/02/721866402.db2.gz IHQHRBNCFNBAHP-CABCVRRESA-N 1 0 430.330 3.696 20 0 IHADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1C ZINC001165038720 721918541 /nfs/dbraw/zinc/91/85/41/721918541.db2.gz PHLXRJJAZUWEEN-LJQANCHMSA-N 1 0 429.634 3.595 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)CC3)C2)cc1 ZINC001164940149 721920465 /nfs/dbraw/zinc/92/04/65/721920465.db2.gz ZDBOPLWVMKGLGG-UHFFFAOYSA-N 1 0 429.927 3.930 20 0 IHADRO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939434 721927675 /nfs/dbraw/zinc/92/76/75/721927675.db2.gz LGPJBYVYYCSUBS-UHFFFAOYSA-N 1 0 445.567 3.727 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C(N)=O)cc5ccccc54)CC3)C2)cc1 ZINC001164939927 721931656 /nfs/dbraw/zinc/93/16/56/721931656.db2.gz OYQRECIIXQMCJO-UHFFFAOYSA-N 1 0 430.552 3.514 20 0 IHADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CCCC[C@H]3CC[NH+]3CCCC3)n2)cc1 ZINC001165048005 721974203 /nfs/dbraw/zinc/97/42/03/721974203.db2.gz HZLYJGHNASSENI-SFHVURJKSA-N 1 0 430.574 3.517 20 0 IHADRO O=C(c1ccco1)N1CC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164956641 722046752 /nfs/dbraw/zinc/04/67/52/722046752.db2.gz CDGCDKDXMIPWQW-FYYLOGMGSA-N 1 0 428.536 3.584 20 0 IHADRO O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001164961288 722049290 /nfs/dbraw/zinc/04/92/90/722049290.db2.gz YHXHUNSYEFEWHI-QAPCUYQASA-N 1 0 448.901 3.601 20 0 IHADRO Fc1cc2ncnc(Cl)c2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963286 722058828 /nfs/dbraw/zinc/05/88/28/722058828.db2.gz VNUSCNBWYLGXIG-UHFFFAOYSA-N 1 0 441.938 3.936 20 0 IHADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164966247 722062422 /nfs/dbraw/zinc/06/24/22/722062422.db2.gz OYOYUDGOLCIDOU-LJQANCHMSA-N 1 0 434.588 3.985 20 0 IHADRO CSc1nc2sccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164986241 722103409 /nfs/dbraw/zinc/10/34/09/722103409.db2.gz YNVOYPNEVHIZJZ-FUHWJXTLSA-N 1 0 427.599 3.536 20 0 IHADRO Fc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972412 722110019 /nfs/dbraw/zinc/11/00/19/722110019.db2.gz FDJJBQZGSSOIHJ-LPHOPBHVSA-N 1 0 427.911 3.545 20 0 IHADRO Fc1cc2nc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1F ZINC001164972447 722111778 /nfs/dbraw/zinc/11/17/78/722111778.db2.gz FOOIHDUAFFRFNW-FOIQADDNSA-N 1 0 445.901 3.684 20 0 IHADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCCCC2 ZINC001164976660 722114053 /nfs/dbraw/zinc/11/40/53/722114053.db2.gz MAYVNGBLVUVWHL-NQIIRXRSSA-N 1 0 427.980 3.521 20 0 IHADRO Clc1cc(Cc2ccccc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982830 722132911 /nfs/dbraw/zinc/13/29/11/722132911.db2.gz SURPYVROJGEIQY-JTHBVZDNSA-N 1 0 449.986 3.843 20 0 IHADRO Fc1cccc(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164983890 722134798 /nfs/dbraw/zinc/13/47/98/722134798.db2.gz VYWZZSUHIJGZTR-SIKLNZKXSA-N 1 0 435.503 3.530 20 0 IHADRO Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c3c2c1 ZINC001164976985 722137313 /nfs/dbraw/zinc/13/73/13/722137313.db2.gz HMJZJZOPCKHAFF-UTKZUKDTSA-N 1 0 448.958 3.887 20 0 IHADRO Clc1cccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164974353 722141590 /nfs/dbraw/zinc/14/15/90/722141590.db2.gz DJHCNRUHVZYLFU-NZQKXSOJSA-N 1 0 435.959 3.919 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983275 722145443 /nfs/dbraw/zinc/14/54/43/722145443.db2.gz SXGIPLRESGPSRA-RDGATRHJSA-N 1 0 429.568 3.883 20 0 IHADRO CCOC(=O)c1cnc(SC)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995660 722191914 /nfs/dbraw/zinc/19/19/14/722191914.db2.gz WSLQNTOWWXCFIR-JOCHJYFZSA-N 1 0 430.549 3.759 20 0 IHADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164994404 722207092 /nfs/dbraw/zinc/20/70/92/722207092.db2.gz GDVNMDVACUQPRJ-QFIPXVFZSA-N 1 0 443.910 3.782 20 0 IHADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164994752 722213739 /nfs/dbraw/zinc/21/37/39/722213739.db2.gz DAFPOLADWHNSTL-DFBJGRDBSA-N 1 0 438.547 3.529 20 0 IHADRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc(Br)c1OC(F)F ZINC000500244111 1126095276 /nfs/dbraw/zinc/09/52/76/1126095276.db2.gz OHELBVMGPJHUOT-AWEZNQCLSA-N 1 0 434.252 3.891 20 0 IHADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001175686220 1126148948 /nfs/dbraw/zinc/14/89/48/1126148948.db2.gz CSDPFZKXBRHJBE-LEWJYISDSA-N 1 0 432.442 3.834 20 0 IHADRO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cc12 ZINC001179277153 1126151665 /nfs/dbraw/zinc/15/16/65/1126151665.db2.gz AOMIOHCYVVFERQ-IBGZPJMESA-N 1 0 437.769 3.776 20 0 IHADRO Cn1c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc2ccc(Cl)cc21 ZINC001182882042 1126153141 /nfs/dbraw/zinc/15/31/41/1126153141.db2.gz PSDZQWUEXZNANW-FQEVSTJZSA-N 1 0 434.765 3.999 20 0 IHADRO CCOc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)ccc1OCC(=O)Nc1ccccc1 ZINC001204001989 1126159162 /nfs/dbraw/zinc/15/91/62/1126159162.db2.gz HEAIESKMDVRPBA-ATIYNZHBSA-N 1 0 432.520 3.851 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(F)cc2I)cc1 ZINC001203578883 1126158814 /nfs/dbraw/zinc/15/88/14/1126158814.db2.gz APJKYVRBXFQNBR-SFHVURJKSA-N 1 0 429.273 3.522 20 0 IHADRO OC[C@]1([NH2+]Cc2ccn(-c3cccc(F)c3)n2)CCc2cc(Br)ccc2C1 ZINC001460420555 1126190998 /nfs/dbraw/zinc/19/09/98/1126190998.db2.gz CNBNHKZGBULQMK-NRFANRHFSA-N 1 0 430.321 3.784 20 0 IHADRO OC[C@@]1([NH2+]Cc2cc(O)ccc2Br)CCc2cc(Br)ccc2C1 ZINC001461625113 1126195406 /nfs/dbraw/zinc/19/54/06/1126195406.db2.gz DCZYDDIYJKOQJD-GOSISDBHSA-N 1 0 441.163 3.927 20 0 IHADRO OC[C@@]1([NH2+]Cc2cccnc2Br)CCc2cc(Br)ccc2C1 ZINC001461625830 1126195494 /nfs/dbraw/zinc/19/54/94/1126195494.db2.gz CCUVODJGHGTHNS-QGZVFWFLSA-N 1 0 426.152 3.616 20 0 IHADRO COC(OC)c1ccc(F)c(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001474226503 1126202935 /nfs/dbraw/zinc/20/29/35/1126202935.db2.gz DWQOLPPHKAOTHT-FQEVSTJZSA-N 1 0 426.326 3.963 20 0 IHADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001474227121 1126203456 /nfs/dbraw/zinc/20/34/56/1126203456.db2.gz QOBWEOBJUFKLIA-QHCPKHFHSA-N 1 0 447.601 3.528 20 0 IHADRO COc1ccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccccc3OC)cs2)c(OC)c1 ZINC001560102541 1126208164 /nfs/dbraw/zinc/20/81/64/1126208164.db2.gz QRKVFZQBAQERRD-HSZRJFAPSA-N 1 0 428.554 3.919 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1OC ZINC001560184630 1126209737 /nfs/dbraw/zinc/20/97/37/1126209737.db2.gz MYTYKCMKMOMNMO-HSZRJFAPSA-N 1 0 442.537 3.639 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)cc1OC ZINC001621057471 1126245487 /nfs/dbraw/zinc/24/54/87/1126245487.db2.gz GHNCWTBLYKICKW-VWLOTQADSA-N 1 0 444.572 3.812 20 0 IHADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cccc(I)c1)C(F)(F)F ZINC001620789953 1126242758 /nfs/dbraw/zinc/24/27/58/1126242758.db2.gz PBRDIIDYCYJUHJ-HZPDHXFCSA-N 1 0 435.227 3.915 20 0 IHADRO OC[C@@]1([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CCc2cc(Br)ccc2C1 ZINC001621004698 1126244245 /nfs/dbraw/zinc/24/42/45/1126244245.db2.gz GYBHMZLNOXKHIA-FCHUYYIVSA-N 1 0 432.358 3.626 20 0 IHADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000029552816 132225966 /nfs/dbraw/zinc/22/59/66/132225966.db2.gz FTGKQVHDQBHHNA-UHFFFAOYSA-N 1 0 444.539 3.876 20 0 IHADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164389791 718815763 /nfs/dbraw/zinc/81/57/63/718815763.db2.gz ZBRDWAYGDRSSCB-ZDUSSCGKSA-N 1 0 442.816 3.883 20 0 IHADRO c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164389455 718824600 /nfs/dbraw/zinc/82/46/00/718824600.db2.gz IOJWXDRHDPGVKC-LEWJYISDSA-N 1 0 449.624 3.911 20 0 IHADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)C2 ZINC001164401557 718854513 /nfs/dbraw/zinc/85/45/13/718854513.db2.gz BOXAWMNJOBESOV-QKKBWIMNSA-N 1 0 430.886 3.513 20 0 IHADRO Fc1ccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)cnc2Cl)cc1 ZINC001164423168 718917898 /nfs/dbraw/zinc/91/78/98/718917898.db2.gz FBECYISWAMKQRN-FQEVSTJZSA-N 1 0 441.881 3.671 20 0 IHADRO Fc1ccccc1-c1cc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)cnc1Cl ZINC001164424721 718918160 /nfs/dbraw/zinc/91/81/60/718918160.db2.gz OUQGJWCBADTOQM-HXUWFJFHSA-N 1 0 441.881 3.671 20 0 IHADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164422793 718920029 /nfs/dbraw/zinc/92/00/29/718920029.db2.gz BAEGXPJVFQSRNX-GOSISDBHSA-N 1 0 429.920 3.594 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164620335 719014063 /nfs/dbraw/zinc/01/40/63/719014063.db2.gz YHYNJHGWWPSDKL-HPEXNQPKSA-N 1 0 430.282 3.816 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164615375 719018182 /nfs/dbraw/zinc/01/81/82/719018182.db2.gz IMLAQEBBGJYITJ-UYHISHBKSA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(C)c2)c1 ZINC001164614884 719020141 /nfs/dbraw/zinc/02/01/41/719020141.db2.gz GTVIMYGBJCJZHP-SNRMKQJTSA-N 1 0 435.902 3.985 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(C)c2)c1 ZINC001164614882 719020354 /nfs/dbraw/zinc/02/03/54/719020354.db2.gz GTVIMYGBJCJZHP-MNEFBYGVSA-N 1 0 435.902 3.985 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(Oc4cccc(F)c4)n3)CC2)CC1 ZINC001164618434 719029433 /nfs/dbraw/zinc/02/94/33/719029433.db2.gz WTJFLPNSDYGKLI-UHFFFAOYSA-N 1 0 428.508 3.652 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC2)CC1 ZINC001164617538 719031074 /nfs/dbraw/zinc/03/10/74/719031074.db2.gz NZGUZAIFBMZEOT-UHFFFAOYSA-N 1 0 432.565 3.673 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(CC)nc4sc5c(c43)CCC5)CC2)CC1 ZINC001164617165 719031678 /nfs/dbraw/zinc/03/16/78/719031678.db2.gz IMWHCFAXIWEPRX-UHFFFAOYSA-N 1 0 442.629 3.986 20 0 IHADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2ccccc2C(F)(F)F)c1 ZINC001164633809 719137330 /nfs/dbraw/zinc/13/73/30/719137330.db2.gz SWAPPUAYDLTDMV-HNNXBMFYSA-N 1 0 449.807 3.917 20 0 IHADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164631032 719163926 /nfs/dbraw/zinc/16/39/26/719163926.db2.gz ADBJWIOTNRSGTE-IRXDYDNUSA-N 1 0 431.519 3.556 20 0 IHADRO Cc1noc([C@@H]2C[C@@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164648830 719298472 /nfs/dbraw/zinc/29/84/72/719298472.db2.gz GFBRFWUKKAMJIL-AJSBUHFISA-N 1 0 431.540 3.688 20 0 IHADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679737 719648442 /nfs/dbraw/zinc/64/84/42/719648442.db2.gz LDIMAQIKOLCPCM-UHFFFAOYSA-N 1 0 445.615 3.806 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4sccc43)CC2)c2ccccc21 ZINC001164681376 719656413 /nfs/dbraw/zinc/65/64/13/719656413.db2.gz MXTBSWOSLYTXGQ-SFHVURJKSA-N 1 0 449.624 3.785 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(Cl)cc3F)CC2)c2ccccc21 ZINC001164681023 719658153 /nfs/dbraw/zinc/65/81/53/719658153.db2.gz LSBRXOVBGDASND-KRWDZBQOSA-N 1 0 444.982 3.968 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)CC2 ZINC001164689660 719739813 /nfs/dbraw/zinc/73/98/13/719739813.db2.gz JZZPBNDPFWHGEF-UHFFFAOYSA-N 1 0 439.560 3.678 20 0 IHADRO COC(=O)CSc1cccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692630 719812671 /nfs/dbraw/zinc/81/26/71/719812671.db2.gz PUBMKJCXXJTQMA-UHFFFAOYSA-N 1 0 432.615 3.747 20 0 IHADRO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164697961 719816996 /nfs/dbraw/zinc/81/69/96/719816996.db2.gz CJMNUUCTJPQOIZ-UHFFFAOYSA-N 1 0 449.024 3.670 20 0 IHADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695662 719887008 /nfs/dbraw/zinc/88/70/08/719887008.db2.gz PQDHACKWEQHSTK-UHFFFAOYSA-N 1 0 428.936 3.916 20 0 IHADRO CC(C)(C)OC(=O)Nc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncn1 ZINC001164696063 719888037 /nfs/dbraw/zinc/88/80/37/719888037.db2.gz VUFGIZWNTCXLFD-UHFFFAOYSA-N 1 0 445.589 3.757 20 0 IHADRO COC(=O)c1ccc2c(ccnc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164695335 719890410 /nfs/dbraw/zinc/89/04/10/719890410.db2.gz OJYCBDWKBVWBRY-UHFFFAOYSA-N 1 0 437.565 3.954 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 ZINC001164801765 720052167 /nfs/dbraw/zinc/05/21/67/720052167.db2.gz GOVVNLCPZDGFQD-OYRHQHFDSA-N 1 0 439.604 3.670 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164711185 720093287 /nfs/dbraw/zinc/09/32/87/720093287.db2.gz PDZKKYUTGQHEIQ-QGZVFWFLSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(SC)n1)CC2 ZINC001164712093 720095463 /nfs/dbraw/zinc/09/54/63/720095463.db2.gz VIUVXRGSDMBHGJ-QGZVFWFLSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ccn3C)CC2 ZINC001164718021 720110248 /nfs/dbraw/zinc/11/02/48/720110248.db2.gz QGBZOOYBNGSVRJ-SFHVURJKSA-N 1 0 440.979 3.524 20 0 IHADRO CCOc1cc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2cc1OCC ZINC001164814933 720117280 /nfs/dbraw/zinc/11/72/80/720117280.db2.gz UOYHYGACYFPCKS-CLOONOSVSA-N 1 0 440.588 3.612 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164714310 720117445 /nfs/dbraw/zinc/11/74/45/720117445.db2.gz BUXGYPFUKLUCBM-QGZVFWFLSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164718047 720117636 /nfs/dbraw/zinc/11/76/36/720117636.db2.gz QVINMTQAFCHCEB-WIYYLYMNSA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816436 720125100 /nfs/dbraw/zinc/12/51/00/720125100.db2.gz YSYHSMCSAXKBPB-RLWLMLJZSA-N 1 0 449.574 3.803 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164711285 720130608 /nfs/dbraw/zinc/13/06/08/720130608.db2.gz GZUYQYASOXEXKP-HXUWFJFHSA-N 1 0 448.546 3.580 20 0 IHADRO CCOC(=O)c1cc2c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)[nH]c(C)c(C)c-2n1 ZINC001164808505 720133788 /nfs/dbraw/zinc/13/37/88/720133788.db2.gz FHUVEBXRYQITMH-UQBPGWFLSA-N 1 0 440.588 3.541 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001164714687 720153414 /nfs/dbraw/zinc/15/34/14/720153414.db2.gz XYGGSPXHERAAPF-FQEVSTJZSA-N 1 0 432.572 3.738 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001164714689 720155033 /nfs/dbraw/zinc/15/50/33/720155033.db2.gz XYGGSPXHERAAPF-HXUWFJFHSA-N 1 0 432.572 3.738 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164715611 720158850 /nfs/dbraw/zinc/15/88/50/720158850.db2.gz VGXJLDFJRJVNHY-NRFANRHFSA-N 1 0 447.583 3.849 20 0 IHADRO CCc1nc2sc3c(c2c(N2CC[C@@]4(C2)C[N@H+](CC2CC2)C[C@H]4COC)n1)CCC3 ZINC001164818436 720163992 /nfs/dbraw/zinc/16/39/92/720163992.db2.gz STISAXQEPPJEIS-XDHUDOTRSA-N 1 0 426.630 3.927 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164813017 720171699 /nfs/dbraw/zinc/17/16/99/720171699.db2.gz BOHHUOYNVLWSPF-CYFREDJKSA-N 1 0 435.597 3.938 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164815604 720172838 /nfs/dbraw/zinc/17/28/38/720172838.db2.gz ILNQCPITAXCVRP-YADARESESA-N 1 0 447.023 3.592 20 0 IHADRO Cc1csc2c1nc(Cl)cc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164713408 720190890 /nfs/dbraw/zinc/19/08/90/720190890.db2.gz BRCOCHNEQNDGNU-QGZVFWFLSA-N 1 0 447.008 3.603 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164817090 720193130 /nfs/dbraw/zinc/19/31/30/720193130.db2.gz NYELSRUIXJIOIX-MBSDFSHPSA-N 1 0 435.996 3.875 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164810836 720195352 /nfs/dbraw/zinc/19/53/52/720195352.db2.gz DOKAVYYVJBPAMI-HYBUGGRVSA-N 1 0 442.991 3.894 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164810895 720198786 /nfs/dbraw/zinc/19/87/86/720198786.db2.gz FJNUUHNRVSJTDN-RDTXWAMCSA-N 1 0 436.330 3.998 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nc2Cl)CC1 ZINC001164826544 720293033 /nfs/dbraw/zinc/29/30/33/720293033.db2.gz VOHBEIUKYHNUOY-HOTGVXAUSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)CC1 ZINC001164820630 720294531 /nfs/dbraw/zinc/29/45/31/720294531.db2.gz HWYJZLOVSHWONY-CVEARBPZSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3ccnc(Cl)c3)ccn2)CC1 ZINC001164824475 720305471 /nfs/dbraw/zinc/30/54/71/720305471.db2.gz QUVDANYQNBOZFE-RTWAWAEBSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)CC1 ZINC001164832003 720317845 /nfs/dbraw/zinc/31/78/45/720317845.db2.gz SSSZANXECYKSLO-CVEARBPZSA-N 1 0 447.357 3.845 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827726 720319688 /nfs/dbraw/zinc/31/96/88/720319688.db2.gz HYHBPWGNXLFELU-UXHICEINSA-N 1 0 427.980 3.503 20 0 IHADRO CCCCOc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164829489 720333246 /nfs/dbraw/zinc/33/32/46/720333246.db2.gz MTBCKCQSCGYZRZ-RTWAWAEBSA-N 1 0 435.012 3.825 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1 ZINC001164821756 720337342 /nfs/dbraw/zinc/33/73/42/720337342.db2.gz BSBYLDMCSFLCQS-WOJBJXKFSA-N 1 0 441.664 3.983 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821766 720355914 /nfs/dbraw/zinc/35/59/14/720355914.db2.gz BUJJFZVLHCPMOT-UXHICEINSA-N 1 0 442.991 3.808 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837917 720508667 /nfs/dbraw/zinc/50/86/67/720508667.db2.gz QOYNYWKUEOFBRK-OFQRWUPVSA-N 1 0 434.375 3.839 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)c3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832373 720511003 /nfs/dbraw/zinc/51/10/03/720511003.db2.gz AJLAOUXCEHNNRS-HLLBOEOZSA-N 1 0 427.902 3.993 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C1 ZINC001164728178 720513445 /nfs/dbraw/zinc/51/34/45/720513445.db2.gz JVTJLSXPAHUNOL-IBGZPJMESA-N 1 0 425.540 3.600 20 0 IHADRO CSc1nc2sccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835355 720514009 /nfs/dbraw/zinc/51/40/09/720514009.db2.gz KFHADAMNVODOER-JFIYKMOQSA-N 1 0 428.631 3.988 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(C(=O)Nc3ccc(Cl)nc3)ccc2F)C1 ZINC001164729454 720515170 /nfs/dbraw/zinc/51/51/70/720515170.db2.gz NTQGPPKBYGSRQZ-HNNXBMFYSA-N 1 0 442.926 3.521 20 0 IHADRO COc1ccc(-c2csc3ncnc(N4Cc5nccn5C[C@H](C[NH+](C)C)C4)c23)cc1 ZINC001164734599 720523694 /nfs/dbraw/zinc/52/36/94/720523694.db2.gz REANUJATIBRLFY-INIZCTEOSA-N 1 0 434.569 3.761 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001164734903 720525761 /nfs/dbraw/zinc/52/57/61/720525761.db2.gz SYEWKHMWYBPGBQ-OAHLLOKOSA-N 1 0 432.906 3.736 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c(F)cccc43)CC[C@@H]21 ZINC001164840807 720535013 /nfs/dbraw/zinc/53/50/13/720535013.db2.gz UAJHIWJPVNRGPK-GJYPPUQNSA-N 1 0 428.943 3.997 20 0 IHADRO CSc1nc2ccsc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834634 720535814 /nfs/dbraw/zinc/53/58/14/720535814.db2.gz FKMOLOUJGYPXIS-LZLYRXPVSA-N 1 0 428.631 3.988 20 0 IHADRO CSc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n1)CCCC2 ZINC001164839585 720537969 /nfs/dbraw/zinc/53/79/69/720537969.db2.gz QQQFXLANFFYYJE-WAOWUJCRSA-N 1 0 426.634 3.652 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c(Cl)n1 ZINC001164735294 720544383 /nfs/dbraw/zinc/54/43/83/720544383.db2.gz ODGNQJZNRFJIDO-ZDUSSCGKSA-N 1 0 431.911 3.583 20 0 IHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164734486 720546839 /nfs/dbraw/zinc/54/68/39/720546839.db2.gz JASNPPVTTAYHPU-ZDUSSCGKSA-N 1 0 431.911 3.583 20 0 IHADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164733719 720548815 /nfs/dbraw/zinc/54/88/15/720548815.db2.gz QEMSEGZUTRYKKM-GFCCVEGCSA-N 1 0 445.967 3.887 20 0 IHADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164734134 720551614 /nfs/dbraw/zinc/55/16/14/720551614.db2.gz VWBAUMRDHNRRIZ-UHFFFAOYSA-N 1 0 432.906 3.683 20 0 IHADRO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2n1 ZINC001164840645 720552998 /nfs/dbraw/zinc/55/29/98/720552998.db2.gz SJYNFRFGIMXHFI-YQVWRLOYSA-N 1 0 440.979 3.866 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@@H]21 ZINC001164839172 720576435 /nfs/dbraw/zinc/57/64/35/720576435.db2.gz PRQRGEQXDSFYNL-VCOUNFBDSA-N 1 0 436.535 3.982 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(OCc4ccccc4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841503 720580547 /nfs/dbraw/zinc/58/05/47/720580547.db2.gz SJZSFJMFIHIDIM-XPWALMASSA-N 1 0 432.572 3.630 20 0 IHADRO 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ZINC001164865840 721054405 /nfs/dbraw/zinc/05/44/05/721054405.db2.gz AKOMCGFAVFEINF-HUUCEWRRSA-N 1 0 429.298 3.808 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867266 721107189 /nfs/dbraw/zinc/10/71/89/721107189.db2.gz XOEVOSDDPZSUMR-ZWKOTPCHSA-N 1 0 444.963 3.565 20 0 IHADRO CCc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C2)n1)CCC3 ZINC001164879148 721140863 /nfs/dbraw/zinc/14/08/63/721140863.db2.gz RZASCSHSIVORCG-ROUUACIJSA-N 1 0 435.597 3.617 20 0 IHADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872737 721153683 /nfs/dbraw/zinc/15/36/83/721153683.db2.gz IFXKJKOYZQYMQX-DLBZAZTESA-N 1 0 445.901 3.703 20 0 IHADRO Clc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164880979 721170381 /nfs/dbraw/zinc/17/03/81/721170381.db2.gz YMOWYVHLGAAHIB-DLBZAZTESA-N 1 0 430.339 3.811 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164880698 721177449 /nfs/dbraw/zinc/17/74/49/721177449.db2.gz XDDIXDXBOLVCDU-MOPGFXCFSA-N 1 0 444.963 3.565 20 0 IHADRO FC(F)(N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164870832 721190826 /nfs/dbraw/zinc/19/08/26/721190826.db2.gz WMJXPGYNVMUUEJ-MOPGFXCFSA-N 1 0 434.918 3.730 20 0 IHADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868876 721195888 /nfs/dbraw/zinc/19/58/88/721195888.db2.gz ORWFFLOCVZWVPI-SJORKVTESA-N 1 0 434.918 3.643 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164766939 721208284 /nfs/dbraw/zinc/20/82/84/721208284.db2.gz JPYJFMWJBQWFEZ-HZPDHXFCSA-N 1 0 432.906 3.520 20 0 IHADRO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164763276 721238181 /nfs/dbraw/zinc/23/81/81/721238181.db2.gz NALTZDGNPLRHRS-RTBURBONSA-N 1 0 438.963 3.923 20 0 IHADRO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766507 721248411 /nfs/dbraw/zinc/24/84/11/721248411.db2.gz UPDHMZOTGNDDOI-RDJZCZTQSA-N 1 0 429.927 3.728 20 0 IHADRO O=C(NC[C@@H]1CCC[C@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)O1)c1ccccc1 ZINC001164879260 721259558 /nfs/dbraw/zinc/25/95/58/721259558.db2.gz XMLNRJFJNTZTDL-JYFHCDHNSA-N 1 0 434.584 3.625 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4[nH]ccc43)C2)C1 ZINC001164779095 721340242 /nfs/dbraw/zinc/34/02/42/721340242.db2.gz QUDAEZDYWWIJEV-QFIPXVFZSA-N 1 0 429.952 3.940 20 0 IHADRO COc1cccc2ccc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc21 ZINC001164776845 721341764 /nfs/dbraw/zinc/34/17/64/721341764.db2.gz DHOCXGDGKPDXAR-VWLOTQADSA-N 1 0 436.556 3.967 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164881747 721345786 /nfs/dbraw/zinc/34/57/86/721345786.db2.gz AMZSRTHSQSNZQT-OTNCWRBYSA-N 1 0 426.605 3.530 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1 ZINC001164777831 721353834 /nfs/dbraw/zinc/35/38/34/721353834.db2.gz ILIVLOFNOOXWHV-VWLOTQADSA-N 1 0 446.555 3.835 20 0 IHADRO COc1ccc2ccc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164787054 721356532 /nfs/dbraw/zinc/35/65/32/721356532.db2.gz XVECTBKWUCTDOU-VWLOTQADSA-N 1 0 436.556 3.967 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5cc(F)ccc54)C3)O2)CC1 ZINC001164891865 721380102 /nfs/dbraw/zinc/38/01/02/721380102.db2.gz QZMNJPFRGPQCKJ-XXBNENTESA-N 1 0 432.971 3.793 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164892163 721385369 /nfs/dbraw/zinc/38/53/69/721385369.db2.gz RXWKOSYCRDBLCS-VQIMIIECSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890538 721387704 /nfs/dbraw/zinc/38/77/04/721387704.db2.gz NYUSAMKXMNBXEL-KXBFYZLASA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(C(C)(C)C)sc54)C3)O2)CC1 ZINC001164887229 721396394 /nfs/dbraw/zinc/39/63/94/721396394.db2.gz HISFKKZBRLEBFE-HOYKHHGWSA-N 1 0 443.661 3.754 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(C(C)(C)C)sc54)C3)O2)CC1 ZINC001164887246 721396702 /nfs/dbraw/zinc/39/67/02/721396702.db2.gz HISFKKZBRLEBFE-KOSHJBKYSA-N 1 0 443.661 3.754 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)ncc(Cl)c4Cl)C3)O2)CC1 ZINC001164887237 721414133 /nfs/dbraw/zinc/41/41/33/721414133.db2.gz LPQLFQWBPRJLAK-LIRRHRJNSA-N 1 0 433.811 3.807 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890236 721445788 /nfs/dbraw/zinc/44/57/88/721445788.db2.gz CQOYYNQJAKIGAC-FDDCHVKYSA-N 1 0 432.971 3.793 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3ccsc31)CC2 ZINC001164786895 721448414 /nfs/dbraw/zinc/44/84/14/721448414.db2.gz OPGLDFSHGAHKQQ-IBGZPJMESA-N 1 0 430.618 3.734 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5cccc(F)c54)C3)O2)CC1 ZINC001164893314 721453485 /nfs/dbraw/zinc/45/34/85/721453485.db2.gz ZBLOMAZUYNGOOA-JPYJTQIMSA-N 1 0 432.971 3.793 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164784180 721458390 /nfs/dbraw/zinc/45/83/90/721458390.db2.gz HDSNPMDASZGXQZ-IBGZPJMESA-N 1 0 449.039 3.743 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)nc1 ZINC001164793735 721488320 /nfs/dbraw/zinc/48/83/20/721488320.db2.gz UZTAKZRBJAEWQF-ZYKOEDHHSA-N 1 0 426.536 3.694 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909260 721545741 /nfs/dbraw/zinc/54/57/41/721545741.db2.gz RCMIDUCICNYHMF-DOTOQJQBSA-N 1 0 430.915 3.542 20 0 IHADRO COc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164907295 721545954 /nfs/dbraw/zinc/54/59/54/721545954.db2.gz MWFPAXJNOMEYRC-GCJKJVERSA-N 1 0 436.487 3.759 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909262 721546340 /nfs/dbraw/zinc/54/63/40/721546340.db2.gz RCMIDUCICNYHMF-NVXWUHKLSA-N 1 0 430.915 3.542 20 0 IHADRO CN(C)c1ccc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905824 721547980 /nfs/dbraw/zinc/54/79/80/721547980.db2.gz IPJQQQMTVUBOOV-JTHBVZDNSA-N 1 0 433.531 3.691 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808590 721575829 /nfs/dbraw/zinc/57/58/29/721575829.db2.gz VEJOPTLOTOJTQL-CEXWTWQISA-N 1 0 429.996 3.999 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164902543 721580695 /nfs/dbraw/zinc/58/06/95/721580695.db2.gz FZACCEXAROENQW-RDGATRHJSA-N 1 0 436.604 3.684 20 0 IHADRO CC(C)c1noc(-c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2)n1 ZINC001164805153 721585079 /nfs/dbraw/zinc/58/50/79/721585079.db2.gz KTRBBUDFOCYVNW-ONTIZHBOSA-N 1 0 434.544 3.518 20 0 IHADRO FC1(F)CCN(c2nnc(Cl)c3cccnc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904351 721705569 /nfs/dbraw/zinc/70/55/69/721705569.db2.gz CBWKETORZFOPMW-HXUWFJFHSA-N 1 0 430.890 3.811 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(CN(C)C(C)C)nnc3C2)nc1 ZINC001165011015 721719810 /nfs/dbraw/zinc/71/98/10/721719810.db2.gz MDIQEQJAVAAQMT-NRFANRHFSA-N 1 0 425.625 3.861 20 0 IHADRO FC1(F)CCN(c2ccnc(N3CCCCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908643 721723237 /nfs/dbraw/zinc/72/32/37/721723237.db2.gz YIPQMKMRLVQFFI-QFIPXVFZSA-N 1 0 428.531 3.600 20 0 IHADRO C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913079 721731666 /nfs/dbraw/zinc/73/16/66/721731666.db2.gz SFSRCMSPARMSFT-XXBNENTESA-N 1 0 442.558 3.846 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(Cc3ccccc3)c3ccccc32)CC1 ZINC001165009335 721744546 /nfs/dbraw/zinc/74/45/46/721744546.db2.gz BNCCIICLBFQEQL-UHFFFAOYSA-N 1 0 443.595 3.744 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(F)ccc2Oc2ccc(Cl)nn2)CC1 ZINC001165010926 721745118 /nfs/dbraw/zinc/74/51/18/721745118.db2.gz QTMDPVSOFPMLCL-UHFFFAOYSA-N 1 0 447.942 3.584 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@@H]21 ZINC001165026603 721802123 /nfs/dbraw/zinc/80/21/23/721802123.db2.gz RKOXILBUFVGOHA-FGCOXFRFSA-N 1 0 433.600 3.840 20 0 IHADRO COC(=O)c1ccc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2c1 ZINC001165028051 721804049 /nfs/dbraw/zinc/80/40/49/721804049.db2.gz XZNZOBVHNHNFNB-XKCSPQBFSA-N 1 0 431.540 3.548 20 0 IHADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1OCC ZINC001165027298 721811100 /nfs/dbraw/zinc/81/11/00/721811100.db2.gz UAESLACHSSLURF-VLCRHTCISA-N 1 0 438.572 3.789 20 0 IHADRO CSc1nc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024866 721818813 /nfs/dbraw/zinc/81/88/13/721818813.db2.gz KRWMQHUQNNNATB-USXIJHARSA-N 1 0 426.615 3.940 20 0 IHADRO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028211 721821307 /nfs/dbraw/zinc/82/13/07/721821307.db2.gz UVSQJMAYGWEYNN-ZVZYQTTQSA-N 1 0 437.922 3.815 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@H]21 ZINC001165027285 721823888 /nfs/dbraw/zinc/82/38/88/721823888.db2.gz RVLKFVYTXVKETN-CGTJXYLNSA-N 1 0 437.922 3.729 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164922213 721836980 /nfs/dbraw/zinc/83/69/80/721836980.db2.gz GEVOPJFWTIXSSU-RQTOMXEWSA-N 1 0 436.604 3.683 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164936089 721890198 /nfs/dbraw/zinc/89/01/98/721890198.db2.gz XSYGXQNQVGEEKJ-MOPGFXCFSA-N 1 0 439.913 3.696 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164933050 721890311 /nfs/dbraw/zinc/89/03/11/721890311.db2.gz JFJKAZFPBBNFQT-RBUKOAKNSA-N 1 0 439.913 3.696 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)nc1 ZINC001164931195 721897714 /nfs/dbraw/zinc/89/77/14/721897714.db2.gz DMPOGXSOIPYFGM-MSNJVRRCSA-N 1 0 440.632 3.919 20 0 IHADRO CCOCc1cnc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938593 721929830 /nfs/dbraw/zinc/92/98/30/721929830.db2.gz AAJJWRZCAMQKDK-UHFFFAOYSA-N 1 0 430.980 3.846 20 0 IHADRO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)n1 ZINC001164964780 722027021 /nfs/dbraw/zinc/02/70/21/722027021.db2.gz YJHNEZQJKVTHJC-AHWVRZQESA-N 1 0 436.600 3.973 20 0 IHADRO O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164961285 722049331 /nfs/dbraw/zinc/04/93/31/722049331.db2.gz YHXHUNSYEFEWHI-MAUKXSAKSA-N 1 0 448.901 3.601 20 0 IHADRO Fc1cccc(Oc2cncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)c1 ZINC001164961677 722058428 /nfs/dbraw/zinc/05/84/28/722058428.db2.gz NYQKICIVCXUKQD-UHFFFAOYSA-N 1 0 449.530 3.922 20 0 IHADRO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164962546 722060341 /nfs/dbraw/zinc/06/03/41/722060341.db2.gz UBBGTSNNNRCQSJ-UHFFFAOYSA-N 1 0 446.551 3.535 20 0 IHADRO Cc1cncc(COCc2cnc3n2CCN(c2ncccc2C[NH+]2CCCC2)[C@@H]3C)c1 ZINC001164962905 722063528 /nfs/dbraw/zinc/06/35/28/722063528.db2.gz AOQIVWLMTDXONQ-HXUWFJFHSA-N 1 0 432.572 3.875 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)nc1 ZINC001164966517 722065521 /nfs/dbraw/zinc/06/55/21/722065521.db2.gz VNJRFZVFENHACU-NJYVYQBISA-N 1 0 425.602 3.969 20 0 IHADRO Fc1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981660 722103576 /nfs/dbraw/zinc/10/35/76/722103576.db2.gz LUTLSHCEIPORJU-UZLBHIALSA-N 1 0 427.911 3.545 20 0 IHADRO Fc1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977173 722104152 /nfs/dbraw/zinc/10/41/52/722104152.db2.gz DVRMVTTUIDYYNC-NVXWUHKLSA-N 1 0 426.870 3.541 20 0 IHADRO Clc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164979895 722104159 /nfs/dbraw/zinc/10/41/59/722104159.db2.gz IFWNHMBYHODYKR-REWPJTCUSA-N 1 0 435.959 3.919 20 0 IHADRO CSc1nc2ccsc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975093 722112627 /nfs/dbraw/zinc/11/26/27/722112627.db2.gz JKEXGPQUHTVFFX-SJLPKXTDSA-N 1 0 427.599 3.536 20 0 IHADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983292 722129922 /nfs/dbraw/zinc/12/99/22/722129922.db2.gz SXYFWUKLSJIHPV-URXFXBBRSA-N 1 0 446.551 3.534 20 0 IHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974382 722135055 /nfs/dbraw/zinc/13/50/55/722135055.db2.gz DMCZWNMMXHZSSR-MSOLQXFVSA-N 1 0 447.917 3.884 20 0 IHADRO CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164977068 722135605 /nfs/dbraw/zinc/13/56/05/722135605.db2.gz IKXZNUJXJPVJLF-NHCUHLMSSA-N 1 0 448.571 3.551 20 0 IHADRO Clc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)n1 ZINC001164982273 722146969 /nfs/dbraw/zinc/14/69/69/722146969.db2.gz RLQJBLPANDMYBG-SFTDATJTSA-N 1 0 435.959 3.919 20 0 IHADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984265 722148155 /nfs/dbraw/zinc/14/81/55/722148155.db2.gz XCCXMSMHIBQNFJ-RDGATRHJSA-N 1 0 445.567 3.665 20 0 IHADRO Clc1nc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C2CC2)n1 ZINC001164972615 722156604 /nfs/dbraw/zinc/15/66/04/722156604.db2.gz IRLRMWHXCWYFCS-IRXDYDNUSA-N 1 0 434.371 3.783 20 0 IHADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)c1 ZINC001164979724 722165408 /nfs/dbraw/zinc/16/54/08/722165408.db2.gz VVDAWLUSTSJOCK-DHLKQENFSA-N 1 0 429.605 3.891 20 0 IHADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc4ccccc4nc2N2CCOCC2)C3)c1 ZINC001164992890 722198808 /nfs/dbraw/zinc/19/88/08/722198808.db2.gz BZZVEOQKHIVZKK-SANMLTNESA-N 1 0 447.558 3.850 20 0 IHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH]1 ZINC001164994112 722203267 /nfs/dbraw/zinc/20/32/67/722203267.db2.gz GCCFJCUHJJWZJY-QFIPXVFZSA-N 1 0 443.910 3.782 20 0 IHADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)C3)c1 ZINC001164995040 722213206 /nfs/dbraw/zinc/21/32/06/722213206.db2.gz FNQMGOXROQDTOI-XMSQKQJNSA-N 1 0 432.927 3.682 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(Cl)nc1Cl)CCC2 ZINC001165000255 722250696 /nfs/dbraw/zinc/25/06/96/722250696.db2.gz NCIWJMUJCVSCRG-UHFFFAOYSA-N 1 0 434.318 3.618 20 0 IHADRO C[C@H]1CCc2c(sc3ncnc(N4CCCn5cnc(COCC[NH+](C)C)c5C4)c23)C1 ZINC001165002171 722253396 /nfs/dbraw/zinc/25/33/96/722253396.db2.gz KPELPTVBLYAFJP-INIZCTEOSA-N 1 0 440.617 3.501 20 0 IHADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000467382725 1126094673 /nfs/dbraw/zinc/09/46/73/1126094673.db2.gz BRRUNUIYLDUCSV-OAHLLOKOSA-N 1 0 428.168 3.795 20 0 IHADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC001175708829 1126149435 /nfs/dbraw/zinc/14/94/35/1126149435.db2.gz VULJKOHMAHDFBO-JOCHJYFZSA-N 1 0 425.510 3.749 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC001176590026 1126150055 /nfs/dbraw/zinc/15/00/55/1126150055.db2.gz ZSOBVQHVSUPDKX-NRFANRHFSA-N 1 0 442.313 3.927 20 0 IHADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)sc2C1 ZINC001200422460 1126156136 /nfs/dbraw/zinc/15/61/36/1126156136.db2.gz BIENJCOMKFKJQF-MRXNPFEDSA-N 1 0 442.585 3.611 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001308479825 1126166751 /nfs/dbraw/zinc/16/67/51/1126166751.db2.gz NLZIAIQYSLELKO-QFIPXVFZSA-N 1 0 431.374 3.768 20 0 IHADRO OC[C@]1([NH2+]Cc2csc(-c3ccccn3)n2)CCc2cc(Br)ccc2C1 ZINC001460424854 1126191204 /nfs/dbraw/zinc/19/12/04/1126191204.db2.gz UINZLEVSSIRDJM-FQEVSTJZSA-N 1 0 430.371 3.977 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccnn1CCc1ccccc1 ZINC001461669495 1126195675 /nfs/dbraw/zinc/19/56/75/1126195675.db2.gz FCHOESPEWQSEKC-QFIPXVFZSA-N 1 0 428.374 3.972 20 0 IHADRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(Cl)cc1O ZINC001474626499 1126204661 /nfs/dbraw/zinc/20/46/61/1126204661.db2.gz NCBYSLILGOAMOR-IBGZPJMESA-N 1 0 426.738 3.826 20 0 IHADRO O=C(OCc1ccccc1)c1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c[nH]1 ZINC001560330072 1126209954 /nfs/dbraw/zinc/20/99/54/1126209954.db2.gz BZFBEVPERKRGOM-TZIWHRDSSA-N 1 0 432.442 3.996 20 0 IHADRO OC[C@@]1([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCc2cc(Br)ccc2C1 ZINC001560532825 1126211834 /nfs/dbraw/zinc/21/18/34/1126211834.db2.gz XEBJXVODLMMNEY-HXUWFJFHSA-N 1 0 438.749 3.883 20 0 IHADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)[C@@H](O)C1 ZINC001621039969 1126245327 /nfs/dbraw/zinc/24/53/27/1126245327.db2.gz GFASFNMOTQTXMT-CVEARBPZSA-N 1 0 425.501 3.548 20 0 IHADRO O=C(Cc1ccc(I)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013470606 562987772 /nfs/dbraw/zinc/98/77/72/562987772.db2.gz ADPPMTYGDIDBNE-UHFFFAOYSA-N 1 0 434.321 3.615 20 0 IHADRO Fc1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164424701 718918492 /nfs/dbraw/zinc/91/84/92/718918492.db2.gz OLNGSURPCUNLAY-HXUWFJFHSA-N 1 0 441.881 3.671 20 0 IHADRO Clc1nc2c(c(N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164422751 718940856 /nfs/dbraw/zinc/94/08/56/718940856.db2.gz BRWUAISBYAMFEN-OFNKIYASSA-N 1 0 431.971 3.764 20 0 IHADRO Cc1nc2c(n1-c1nc(CN3CCC(C)CC3)nc3sc4c(c31)CCC4)CC[NH2+]CC2 ZINC001164427762 718949790 /nfs/dbraw/zinc/94/97/90/718949790.db2.gz FTOOJNZZHBBDJG-UHFFFAOYSA-N 1 0 436.629 3.594 20 0 IHADRO Cc1cccc(CN2C(=O)COC3(CC[NH+](C(C)(C)c4ccnc(Cl)c4)CC3)[C@@H]2C)n1 ZINC001164430992 718952166 /nfs/dbraw/zinc/95/21/66/718952166.db2.gz YMEQXXWKNKLEMB-SFHVURJKSA-N 1 0 442.991 3.956 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164619259 719018472 /nfs/dbraw/zinc/01/84/72/719018472.db2.gz VAUCLPQJPWNBPC-BVGQSLNGSA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164620126 719019155 /nfs/dbraw/zinc/01/91/55/719019155.db2.gz XQTIMASWFJKYAX-JQFCIGGWSA-N 1 0 437.874 3.557 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4cccc(OC)c43)CC2)CC1 ZINC001164618014 719027902 /nfs/dbraw/zinc/02/79/02/719027902.db2.gz ULCXDUQSBRUXQZ-UHFFFAOYSA-N 1 0 432.952 3.536 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(OC)c(Cl)n3)CC2)CC1 ZINC001164617026 719028091 /nfs/dbraw/zinc/02/80/91/719028091.db2.gz JENNVBYVKXHHCJ-UHFFFAOYSA-N 1 0 431.911 3.532 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)c(-c4ccccc4F)n3)CC2)CC1 ZINC001164617144 719034892 /nfs/dbraw/zinc/03/48/92/719034892.db2.gz HSTUFAYBXJEVCR-UHFFFAOYSA-N 1 0 426.536 3.835 20 0 IHADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624045 719049740 /nfs/dbraw/zinc/04/97/40/719049740.db2.gz NSQITHLHJKVHIH-XLIONFOSSA-N 1 0 436.890 3.955 20 0 IHADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC001164624954 719093779 /nfs/dbraw/zinc/09/37/79/719093779.db2.gz FSPIRSBULLWRIF-IEBWSBKVSA-N 1 0 425.964 3.595 20 0 IHADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H](C5([NH3+])CC5)[C@H](CF)C3)n2)CCC4)CC1 ZINC001164625858 719122293 /nfs/dbraw/zinc/12/22/93/719122293.db2.gz ZFCQNUZYRIPPAE-AEFFLSMTSA-N 1 0 443.636 3.925 20 0 IHADRO COc1ccc(-c2cc(C(F)(F)N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)cc1 ZINC001164623010 719126359 /nfs/dbraw/zinc/12/63/59/719126359.db2.gz PXDARXZMOMEUGZ-CZUORRHYSA-N 1 0 426.870 3.864 20 0 IHADRO Cc1noc([C@@H]2C[C@@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164648835 719298423 /nfs/dbraw/zinc/29/84/23/719298423.db2.gz GFBRFWUKKAMJIL-VJBMBRPKSA-N 1 0 431.540 3.688 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164675162 719441252 /nfs/dbraw/zinc/44/12/52/719441252.db2.gz ZHBDJTGACHNTBO-SFTDATJTSA-N 1 0 449.624 3.863 20 0 IHADRO Cc1nc(CN2C(=O)CCC23CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)CC3)cs1 ZINC001164684647 719594809 /nfs/dbraw/zinc/59/48/09/719594809.db2.gz IRNYMMIDARFXKQ-UHFFFAOYSA-N 1 0 425.602 3.602 20 0 IHADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc3ccsc3c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683962 719612209 /nfs/dbraw/zinc/61/22/09/719612209.db2.gz LSFVPIWSNPNXKF-UHFFFAOYSA-N 1 0 426.924 3.625 20 0 IHADRO CC(C)N(C)Cc1nn(-c2ncnc3cc(OCc4ccccc4)ccc32)c2c1CC[NH2+]C2 ZINC001164684251 719648951 /nfs/dbraw/zinc/64/89/51/719648951.db2.gz WOAUWXVJRMTAQZ-UHFFFAOYSA-N 1 0 442.567 3.880 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4ccccc4nn3)CC2)c2ccccc21 ZINC001164684247 719669064 /nfs/dbraw/zinc/66/90/64/719669064.db2.gz SQHYBIRXIFZOFF-OAQYLSRUSA-N 1 0 443.595 3.723 20 0 IHADRO Cc1cnc(Cl)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681042 719670031 /nfs/dbraw/zinc/67/00/31/719670031.db2.gz JAGQGBZUHNTLRD-GOSISDBHSA-N 1 0 442.007 3.532 20 0 IHADRO CSc1cccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681206 719676270 /nfs/dbraw/zinc/67/62/70/719676270.db2.gz KRQAXHRSFNWHSX-IBGZPJMESA-N 1 0 438.641 3.897 20 0 IHADRO CSc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164686919 719677140 /nfs/dbraw/zinc/67/71/40/719677140.db2.gz ZAWRUWJWPWMKDW-LJQANCHMSA-N 1 0 438.641 3.897 20 0 IHADRO CCCc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680098 719677689 /nfs/dbraw/zinc/67/76/89/719677689.db2.gz CESVYWKCUGFNIY-HXUWFJFHSA-N 1 0 435.616 3.523 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)CC2 ZINC001164684532 719726582 /nfs/dbraw/zinc/72/65/82/719726582.db2.gz HXVNDVLWACGLFO-UHFFFAOYSA-N 1 0 444.579 3.995 20 0 IHADRO COC(=O)c1cc2ccncc2nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694477 719809820 /nfs/dbraw/zinc/80/98/20/719809820.db2.gz YOXQZRFWVCUCST-UHFFFAOYSA-N 1 0 437.569 3.816 20 0 IHADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692657 719811962 /nfs/dbraw/zinc/81/19/62/719811962.db2.gz QUAUAPQUVNOZLV-WAYWQWQTSA-N 1 0 426.586 3.976 20 0 IHADRO Clc1cc(C2CC[NH2+]CC2)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164694978 719889620 /nfs/dbraw/zinc/88/96/20/719889620.db2.gz IQSXODUYXRPOAU-UHFFFAOYSA-N 1 0 448.036 3.530 20 0 IHADRO CSc1nc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2s1 ZINC001164699293 719895277 /nfs/dbraw/zinc/89/52/77/719895277.db2.gz ZGGZNVUYWNEUNV-UHFFFAOYSA-N 1 0 433.628 3.741 20 0 IHADRO COc1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(Cl)n1 ZINC001164707286 719910466 /nfs/dbraw/zinc/91/04/66/719910466.db2.gz OKVINLGZXFBVMI-UHFFFAOYSA-N 1 0 444.935 3.616 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164809227 720076783 /nfs/dbraw/zinc/07/67/83/720076783.db2.gz IYVPMDCHXNIKQY-KDOFPFPSSA-N 1 0 432.968 3.582 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164713011 720102608 /nfs/dbraw/zinc/10/26/08/720102608.db2.gz ZWPWRVWLFZFTRT-SFHVURJKSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164719466 720108450 /nfs/dbraw/zinc/10/84/50/720108450.db2.gz XKBMEKSUKZBURM-GOSISDBHSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164715509 720108467 /nfs/dbraw/zinc/10/84/67/720108467.db2.gz GRSOBGXCTNSZFE-QGZVFWFLSA-N 1 0 446.020 3.779 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ccc(OC)cc3n1)CC2 ZINC001164714263 720109517 /nfs/dbraw/zinc/10/95/17/720109517.db2.gz BHOQOLWLBVRLHZ-NRFANRHFSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164809086 720133138 /nfs/dbraw/zinc/13/31/38/720133138.db2.gz GSJNRROOGXRAMP-HXOBKFHXSA-N 1 0 435.996 3.875 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164809087 720133717 /nfs/dbraw/zinc/13/37/17/720133717.db2.gz GSJNRROOGXRAMP-SBUREZEXSA-N 1 0 435.996 3.875 20 0 IHADRO CCCSc1cncc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714793 720147776 /nfs/dbraw/zinc/14/77/76/720147776.db2.gz ZEVBQTLRISCYOZ-HXUWFJFHSA-N 1 0 427.618 3.881 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164713960 720148560 /nfs/dbraw/zinc/14/85/60/720148560.db2.gz UKXOXJOQTVEHLQ-OAQYLSRUSA-N 1 0 433.556 3.948 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164817111 720149336 /nfs/dbraw/zinc/14/93/36/720149336.db2.gz OAKSETJFAMRIRG-GBXCKJPGSA-N 1 0 426.992 3.906 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164818382 720154081 /nfs/dbraw/zinc/15/40/81/720154081.db2.gz SLNIGSINRMCRIT-KSSFIOAISA-N 1 0 435.346 3.599 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164813065 720161060 /nfs/dbraw/zinc/16/10/60/720161060.db2.gz CMBOOPQNWBOWIW-HFZDXXHNSA-N 1 0 435.616 3.805 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164810839 720194881 /nfs/dbraw/zinc/19/48/81/720194881.db2.gz DOKAVYYVJBPAMI-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO COc1ccc2c(c1)nc(Cl)cc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812726 720221605 /nfs/dbraw/zinc/22/16/05/720221605.db2.gz INUVDNJMTQHNHL-UHFFFAOYSA-N 1 0 441.963 3.704 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nnc1-c1ccccc1)CCC2 ZINC001164813561 720224011 /nfs/dbraw/zinc/22/40/11/720224011.db2.gz PGWFUNFTIBOQAI-UHFFFAOYSA-N 1 0 438.963 3.604 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164819058 720288259 /nfs/dbraw/zinc/28/82/59/720288259.db2.gz PEDBASAMPDQSAX-RTBURBONSA-N 1 0 427.618 3.726 20 0 IHADRO COc1cccc2c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc(Cl)nc12 ZINC001164817621 720288374 /nfs/dbraw/zinc/28/83/74/720288374.db2.gz FHCOMFMXYOHEMK-RBUKOAKNSA-N 1 0 442.991 3.808 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3ccc(Cl)cc32)CC1 ZINC001164817283 720288831 /nfs/dbraw/zinc/28/88/31/720288831.db2.gz CCKVFRCUSPJJRT-RBUKOAKNSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cc(C(C)(C)C)sc32)CC1 ZINC001164827386 720305863 /nfs/dbraw/zinc/30/58/63/720305863.db2.gz XKQDBZGPUMTUNT-MOPGFXCFSA-N 1 0 441.645 3.900 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccc(Cl)cc3nc2Cl)CC1 ZINC001164821351 720310037 /nfs/dbraw/zinc/31/00/37/720310037.db2.gz KDTJBLLLXRBDMC-OALUTQOASA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(-c3c[nH]c4ccccc34)n2)CC1 ZINC001164831920 720316540 /nfs/dbraw/zinc/31/65/40/720316540.db2.gz SBESDJLVOGNUFN-DNQXCXABSA-N 1 0 444.583 3.536 20 0 IHADRO Cc1sc2nc(C)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164834215 720316875 /nfs/dbraw/zinc/31/68/75/720316875.db2.gz YSPSRIXARGSUJL-RTBURBONSA-N 1 0 427.618 3.528 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3cccc(Cl)c32)CC1 ZINC001164827817 720318607 /nfs/dbraw/zinc/31/86/07/720318607.db2.gz ISGIICFOQHJXMG-ROUUACIJSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(F)cc3ccc(Cl)nc32)CC1 ZINC001164828991 720319383 /nfs/dbraw/zinc/31/93/83/720319383.db2.gz LDLMKBRMHOAISG-RBUKOAKNSA-N 1 0 430.955 3.939 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827725 720319802 /nfs/dbraw/zinc/31/98/02/720319802.db2.gz HYHBPWGNXLFELU-PMACEKPBSA-N 1 0 427.980 3.503 20 0 IHADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825439 720320024 /nfs/dbraw/zinc/32/00/24/720320024.db2.gz FCHJQURIJMOXGD-RTWAWAEBSA-N 1 0 427.980 3.503 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829065 720327046 /nfs/dbraw/zinc/32/70/46/720327046.db2.gz LOYZBSSRSUGXPD-WOJBJXKFSA-N 1 0 433.556 3.596 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cc(Cl)c(Cl)cc32)CC1 ZINC001164830906 720330317 /nfs/dbraw/zinc/33/03/17/720330317.db2.gz QKZQHUMEJLCXMF-WOJBJXKFSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1cccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164833325 720330426 /nfs/dbraw/zinc/33/04/26/720330426.db2.gz VXXPEVNDNPEGBI-OALUTQOASA-N 1 0 427.980 3.503 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829845 720334810 /nfs/dbraw/zinc/33/48/10/720334810.db2.gz OIGFSWKAZZOHGS-DHIUTWEWSA-N 1 0 425.621 3.744 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c(Cl)ccc(F)c3n2)CC1 ZINC001164830080 720351007 /nfs/dbraw/zinc/35/10/07/720351007.db2.gz VEFQGISNNIOURO-UXHICEINSA-N 1 0 430.955 3.939 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824222 720351338 /nfs/dbraw/zinc/35/13/38/720351338.db2.gz HPXGJBGADAVKLK-GOTSBHOMSA-N 1 0 437.563 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc3cccc(F)c32)CC1 ZINC001164829223 720355823 /nfs/dbraw/zinc/35/58/23/720355823.db2.gz QYLPFFUPAOCZQF-OALUTQOASA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc3cccc(F)c32)CC1 ZINC001164829231 720356234 /nfs/dbraw/zinc/35/62/34/720356234.db2.gz QYLPFFUPAOCZQF-RTBURBONSA-N 1 0 430.955 3.939 20 0 IHADRO O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1)N1CCc2ccccc21 ZINC001164733801 720434264 /nfs/dbraw/zinc/43/42/64/720434264.db2.gz QBUDQFHOTPYDHK-RPWUZVMVSA-N 1 0 425.536 3.533 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Oc3cccc(Cl)n3)CC[C@@H]21 ZINC001164837931 720525263 /nfs/dbraw/zinc/52/52/63/720525263.db2.gz QQJSWUSABSRNDZ-ULQDDVLXSA-N 1 0 425.911 3.734 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)C1 ZINC001164732590 720530268 /nfs/dbraw/zinc/53/02/68/720530268.db2.gz FNFIZTWUVHUGCX-HXUWFJFHSA-N 1 0 431.588 3.528 20 0 IHADRO CSc1nc2ccsc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834636 720536590 /nfs/dbraw/zinc/53/65/90/720536590.db2.gz FKMOLOUJGYPXIS-SOLBZPMBSA-N 1 0 428.631 3.988 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)CC[C@@H]21 ZINC001164841433 720537573 /nfs/dbraw/zinc/53/75/73/720537573.db2.gz VTOHYNSLPMQXEP-ZVZYQTTQSA-N 1 0 427.902 3.993 20 0 IHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001164736009 720545359 /nfs/dbraw/zinc/54/53/59/720545359.db2.gz UEOYCMXHJXGQPW-AWEZNQCLSA-N 1 0 431.911 3.583 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842547 720548247 /nfs/dbraw/zinc/54/82/47/720548247.db2.gz YCSWATPUQGIAKR-YFNKSVMNSA-N 1 0 444.583 3.908 20 0 IHADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164835592 720599985 /nfs/dbraw/zinc/59/99/85/720599985.db2.gz BOFPWTZTECAJPO-PQNGQFLHSA-N 1 0 432.572 3.727 20 0 IHADRO COc1cc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2cc1OC ZINC001164835333 720616501 /nfs/dbraw/zinc/61/65/01/720616501.db2.gz BDZQMVQOVYTMFS-YPAWHYETSA-N 1 0 435.572 3.826 20 0 IHADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc21 ZINC001164837220 720627922 /nfs/dbraw/zinc/62/79/22/720627922.db2.gz HPUMSVYKCYNLIV-YCRNBWNJSA-N 1 0 433.556 3.596 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(C(N)=S)c4ccsc43)CC[C@@H]21 ZINC001164843189 720649390 /nfs/dbraw/zinc/64/93/90/720649390.db2.gz URYNYTHQRHCIQK-BXWFABGCSA-N 1 0 440.642 3.505 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164841769 720657929 /nfs/dbraw/zinc/65/79/29/720657929.db2.gz PWJWPFZQBCEILT-QFIPXVFZSA-N 1 0 434.584 3.578 20 0 IHADRO COC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164837567 720658534 /nfs/dbraw/zinc/65/85/34/720658534.db2.gz DAWOPJGVXXQOTJ-LJQANCHMSA-N 1 0 429.948 3.782 20 0 IHADRO c1csc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)c1 ZINC001164741571 720658587 /nfs/dbraw/zinc/65/85/87/720658587.db2.gz UGPVODYCMZFCRN-HUUCEWRRSA-N 1 0 436.566 3.552 20 0 IHADRO Cc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164738417 720676947 /nfs/dbraw/zinc/67/69/47/720676947.db2.gz JJGDQOGHPZGNAO-RTBURBONSA-N 1 0 444.564 3.799 20 0 IHADRO Cc1nc2nc(Cl)nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2[nH]1 ZINC001164843335 720679544 /nfs/dbraw/zinc/67/95/44/720679544.db2.gz OCAVTDRYLUVKKD-QGZVFWFLSA-N 1 0 426.952 3.575 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164839805 720690131 /nfs/dbraw/zinc/69/01/31/720690131.db2.gz BXJXIYMSPIWARV-FQEVSTJZSA-N 1 0 437.588 3.721 20 0 IHADRO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839892 720700962 /nfs/dbraw/zinc/70/09/62/720700962.db2.gz CPRKFPXPOMZIAW-JBOJMBJVSA-N 1 0 435.568 3.918 20 0 IHADRO O=C(NCc1ccccc1)c1nc2c(s1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164845212 720747084 /nfs/dbraw/zinc/74/70/84/720747084.db2.gz XGZOSBLRVKPYRE-UHFFFAOYSA-N 1 0 447.608 3.669 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738125 720828881 /nfs/dbraw/zinc/82/88/81/720828881.db2.gz DSPFUXLMLXYHBB-MZLICYQSSA-N 1 0 432.572 3.523 20 0 IHADRO 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COCC[N@@H+]1CCO[C@@H]2CN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)CC[C@H]2C1 ZINC001164853762 720845767 /nfs/dbraw/zinc/84/57/67/720845767.db2.gz PEDPFPHKWHVOLU-YVEFUNNKSA-N 1 0 445.778 3.764 20 0 IHADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747644 720856951 /nfs/dbraw/zinc/85/69/51/720856951.db2.gz IWCINEGPEGVPNZ-CEXWTWQISA-N 1 0 430.000 3.533 20 0 IHADRO c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164753504 720869107 /nfs/dbraw/zinc/86/91/07/720869107.db2.gz PRNPMTFFCSVGNK-RDPSFJRHSA-N 1 0 435.597 3.841 20 0 IHADRO c1cc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164754945 720870893 /nfs/dbraw/zinc/87/08/93/720870893.db2.gz UUUILQFODVAOFY-GBXCKJPGSA-N 1 0 435.597 3.841 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncnc4c2CCCC4)C3)c1 ZINC001164756280 720885361 /nfs/dbraw/zinc/88/53/61/720885361.db2.gz PBDDNIGDCVRPQS-BKMJKUGQSA-N 1 0 433.600 3.506 20 0 IHADRO COc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755685 720887493 /nfs/dbraw/zinc/88/74/93/720887493.db2.gz MNZNLCWTHCWNBB-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO COc1cc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755683 720887747 /nfs/dbraw/zinc/88/77/47/720887747.db2.gz MNZNLCWTHCWNBB-GBXCKJPGSA-N 1 0 442.991 3.894 20 0 IHADRO C=C(OCC)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164751732 720890532 /nfs/dbraw/zinc/89/05/32/720890532.db2.gz DDNJRHCDLMQSBC-BVAGGSTKSA-N 1 0 449.599 3.634 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@H]2C1 ZINC001164855753 720892264 /nfs/dbraw/zinc/89/22/64/720892264.db2.gz CAMIQNXIOUIIIG-HNAYVOBHSA-N 1 0 441.906 3.713 20 0 IHADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)c1Cl ZINC001164755623 720895711 /nfs/dbraw/zinc/89/57/11/720895711.db2.gz MFCKEAJBNHAULY-ZJSXRUAMSA-N 1 0 442.007 3.897 20 0 IHADRO 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c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)CCCC4)C3)c1 ZINC001164748454 720926584 /nfs/dbraw/zinc/92/65/84/720926584.db2.gz GDZTYBAHXAQPMM-ZEQKJWHPSA-N 1 0 433.600 3.506 20 0 IHADRO CCc1cc(CC)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753727 720934786 /nfs/dbraw/zinc/93/47/86/720934786.db2.gz SJAFJTGBARLMBF-ATIYNZHBSA-N 1 0 435.616 3.752 20 0 IHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(Cl)nc(S(C)(=O)=O)n4)CC3)CC2)cc1 ZINC001164762939 721041151 /nfs/dbraw/zinc/04/11/51/721041151.db2.gz JFULPASUHZLTDR-UHFFFAOYSA-N 1 0 449.020 3.725 20 0 IHADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866549 721049880 /nfs/dbraw/zinc/04/98/80/721049880.db2.gz FGPHIZYMORHUQC-LSDHHAIUSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866548 721050647 /nfs/dbraw/zinc/05/06/47/721050647.db2.gz FGPHIZYMORHUQC-HUUCEWRRSA-N 1 0 429.298 3.808 20 0 IHADRO Clc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164865599 721076589 /nfs/dbraw/zinc/07/65/89/721076589.db2.gz NJICIBZFEBJKBZ-NHCUHLMSSA-N 1 0 435.959 3.596 20 0 IHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164874485 721131768 /nfs/dbraw/zinc/13/17/68/721131768.db2.gz KCLLFFYYAXEYAG-CVEARBPZSA-N 1 0 440.947 3.877 20 0 IHADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872747 721153565 /nfs/dbraw/zinc/15/35/65/721153565.db2.gz IFXKJKOYZQYMQX-IRXDYDNUSA-N 1 0 445.901 3.703 20 0 IHADRO FC(F)(N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164870835 721190452 /nfs/dbraw/zinc/19/04/52/721190452.db2.gz WMJXPGYNVMUUEJ-RTBURBONSA-N 1 0 434.918 3.730 20 0 IHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871384 721198338 /nfs/dbraw/zinc/19/83/38/721198338.db2.gz YVUUBVXTSZTSEF-QZTJIDSGSA-N 1 0 442.922 3.911 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C[C@H]3C2)cn1 ZINC001164767762 721205768 /nfs/dbraw/zinc/20/57/68/721205768.db2.gz KMMKRKMKZVYRHE-HZPDHXFCSA-N 1 0 448.905 3.627 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4ccc(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164766192 721237247 /nfs/dbraw/zinc/23/72/47/721237247.db2.gz SUYMZBPSABQKPH-KBPBESRZSA-N 1 0 432.302 3.505 20 0 IHADRO O=C(NC[C@@H]1CCC[C@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)O1)c1ccccc1 ZINC001164878740 721258728 /nfs/dbraw/zinc/25/87/28/721258728.db2.gz VEWBSPJCSNWWDQ-JYFHCDHNSA-N 1 0 434.584 3.625 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCC(=O)N3c2cccc(F)c2)nc1 ZINC001164881242 721366912 /nfs/dbraw/zinc/36/69/12/721366912.db2.gz ANBFDFGZJAHOPL-ZLNRFVROSA-N 1 0 438.547 3.778 20 0 IHADRO CCc1nc2sccc2c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164787005 721372304 /nfs/dbraw/zinc/37/23/04/721372304.db2.gz WUCSUBYIIHDXGI-QHCPKHFHSA-N 1 0 441.601 3.978 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)O2)CC1 ZINC001164890954 721410220 /nfs/dbraw/zinc/41/02/20/721410220.db2.gz UTEMSNVJSINWCM-DNVCBOLYSA-N 1 0 449.373 3.699 20 0 IHADRO CC(C)c1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895756 721441429 /nfs/dbraw/zinc/44/14/29/721441429.db2.gz PGPYQYHZGMLIEI-CJFMBICVSA-N 1 0 429.653 3.663 20 0 IHADRO CC(C)c1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895757 721441531 /nfs/dbraw/zinc/44/15/31/721441531.db2.gz PGPYQYHZGMLIEI-CPJSRVTESA-N 1 0 429.653 3.663 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c(F)cccc45)C3)O2)CC1 ZINC001164884943 721450539 /nfs/dbraw/zinc/45/05/39/721450539.db2.gz CXIVXWQBRNCJDR-GAJHUEQPSA-N 1 0 432.971 3.793 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886469 721454108 /nfs/dbraw/zinc/45/41/08/721454108.db2.gz GRHRCXWITMVOAM-HYBUGGRVSA-N 1 0 445.007 3.662 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164787527 721461826 /nfs/dbraw/zinc/46/18/26/721461826.db2.gz RFBWWBZOQNRNRJ-LJQANCHMSA-N 1 0 432.996 3.902 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(C(C)(C)C)n1)CC2 ZINC001164789921 721468692 /nfs/dbraw/zinc/46/86/92/721468692.db2.gz PDKQYWCTYOTAAB-OAQYLSRUSA-N 1 0 430.637 3.816 20 0 IHADRO CCCSc1cncc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789235 721468717 /nfs/dbraw/zinc/46/87/17/721468717.db2.gz LYQYZKWUVYBKFT-HXUWFJFHSA-N 1 0 434.650 3.713 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164795487 721499365 /nfs/dbraw/zinc/49/93/65/721499365.db2.gz IVTIHGYYMKOXNQ-UHFFFAOYSA-N 1 0 449.933 3.655 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)CC[N@@H+]3C2)c1 ZINC001164899964 721511439 /nfs/dbraw/zinc/51/14/39/721511439.db2.gz MPCCEXYVUOQFCA-OCCSQVGLSA-N 1 0 433.261 3.809 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)ncc4Cl)CC[N@@H+]3C2)c1 ZINC001164897657 721522041 /nfs/dbraw/zinc/52/20/41/721522041.db2.gz GEAABIIWZHZQPU-OCCSQVGLSA-N 1 0 433.261 3.809 20 0 IHADRO O=C(Nc1ccccc1)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906724 721535966 /nfs/dbraw/zinc/53/59/66/721535966.db2.gz LCIJLIMRIGRMQF-GMAHTHKFSA-N 1 0 432.499 3.815 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)CC[N@@H+]3C2)c1 ZINC001164902536 721539241 /nfs/dbraw/zinc/53/92/41/721539241.db2.gz AFHUVPGZDASEFY-JTHBVZDNSA-N 1 0 443.526 3.961 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807336 721555592 /nfs/dbraw/zinc/55/55/92/721555592.db2.gz SSBOIFLELHOAHW-URVUXULASA-N 1 0 439.947 3.555 20 0 IHADRO COc1cc2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2cc1OC ZINC001164809927 721558009 /nfs/dbraw/zinc/55/80/09/721558009.db2.gz YHGIEGKZXKFDJO-HFMPRLQTSA-N 1 0 434.540 3.515 20 0 IHADRO COc1ccc2nc(Cl)cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2n1 ZINC001164808026 721559532 /nfs/dbraw/zinc/55/95/32/721559532.db2.gz ULFGYNVBKLEFCS-WCAVRKLYSA-N 1 0 439.947 3.555 20 0 IHADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164909657 721563269 /nfs/dbraw/zinc/56/32/69/721563269.db2.gz UMYZEWLWPUQJDP-UYAOXDASSA-N 1 0 439.922 3.981 20 0 IHADRO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904414 721583045 /nfs/dbraw/zinc/58/30/45/721583045.db2.gz QBVLAGIBHAEYLF-JOCHJYFZSA-N 1 0 428.531 3.740 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3ncsc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908288 721705661 /nfs/dbraw/zinc/70/56/61/721705661.db2.gz WXHWCEIPUBCLTK-SFHVURJKSA-N 1 0 436.919 3.872 20 0 IHADRO CCOCc1cnc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906510 721720320 /nfs/dbraw/zinc/72/03/20/721720320.db2.gz MMFZSCQTDFHINR-HXUWFJFHSA-N 1 0 437.922 3.799 20 0 IHADRO Cc1noc(-c2cccnc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913964 721725434 /nfs/dbraw/zinc/72/54/34/721725434.db2.gz ZRYZITVLWWHDBC-OAQYLSRUSA-N 1 0 426.471 3.573 20 0 IHADRO Cc1nc(-c2ccncc2)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912282 721729412 /nfs/dbraw/zinc/72/94/12/721729412.db2.gz NQVDPOHUVBOUSV-QHCPKHFHSA-N 1 0 436.510 3.980 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC001165009471 721745298 /nfs/dbraw/zinc/74/52/98/721745298.db2.gz FLBBXQYUPORCAA-UHFFFAOYSA-N 1 0 447.558 3.959 20 0 IHADRO Cc1nc(-c2ccccc2Cl)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1C ZINC001165012883 721748142 /nfs/dbraw/zinc/74/81/42/721748142.db2.gz QPOMXQWLIPUMKK-UHFFFAOYSA-N 1 0 442.007 3.937 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(Cl)nc2Oc2cccc(F)c2)CC1 ZINC001165012821 721750011 /nfs/dbraw/zinc/75/00/11/721750011.db2.gz OEZFUMUWINMMLV-UHFFFAOYSA-N 1 0 447.942 3.584 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCCCn2cccn2)nc1 ZINC001165021760 721782632 /nfs/dbraw/zinc/78/26/32/721782632.db2.gz PKASFGICLMDLHR-AHCIIZGASA-N 1 0 439.604 3.668 20 0 IHADRO CCOC(=O)c1cnc(SC)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026913 721800330 /nfs/dbraw/zinc/80/03/30/721800330.db2.gz SIJDEKKHWDCRCV-FFZOFVMBSA-N 1 0 441.601 3.507 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cc5c(cc43)OCCO5)C[C@@H]21 ZINC001165019531 721804708 /nfs/dbraw/zinc/80/47/08/721804708.db2.gz CRLXXKUPBFSHKN-PIPMEXSNSA-N 1 0 431.540 3.533 20 0 IHADRO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165027126 721812313 /nfs/dbraw/zinc/81/23/13/721812313.db2.gz SJPPZPLNJQGLMK-KWOQKUFVSA-N 1 0 445.567 3.938 20 0 IHADRO COc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025977 721816710 /nfs/dbraw/zinc/81/67/10/721816710.db2.gz ORAZWHWDEXMTDF-ILWGZMRPSA-N 1 0 430.556 3.679 20 0 IHADRO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]c-2n1 ZINC001165021659 721818348 /nfs/dbraw/zinc/81/83/48/721818348.db2.gz FUJMDRBWVPEEQT-CZTZKLFOSA-N 1 0 433.556 3.872 20 0 IHADRO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165019901 721831284 /nfs/dbraw/zinc/83/12/84/721831284.db2.gz CKPGAFDPBXUMNQ-LESCRADOSA-N 1 0 437.922 3.815 20 0 IHADRO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)n1 ZINC001165029694 721831948 /nfs/dbraw/zinc/83/19/48/721831948.db2.gz XMRZVHKHMRNPNC-BHYGNILZSA-N 1 0 437.922 3.815 20 0 IHADRO COC(=O)c1cc(Cl)cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165019351 721839668 /nfs/dbraw/zinc/83/96/68/721839668.db2.gz DYWPBNWCQKPKLK-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(NC(=O)C(C)(C)C)nn2)CC1 ZINC001165022344 721840906 /nfs/dbraw/zinc/84/09/06/721840906.db2.gz RGUFWXGZHOXAFO-UHFFFAOYSA-N 1 0 441.576 3.579 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N3CCC[C@@H](C)C3)ncn2)CC1 ZINC001165030306 721844165 /nfs/dbraw/zinc/84/41/65/721844165.db2.gz HJQDMXWBDDGVQE-LJQANCHMSA-N 1 0 439.604 3.831 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164924643 721858871 /nfs/dbraw/zinc/85/88/71/721858871.db2.gz COWXFXDWDPTDRJ-CVEARBPZSA-N 1 0 430.330 3.696 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164928260 721865907 /nfs/dbraw/zinc/86/59/07/721865907.db2.gz XZPDWLPWCXFVNQ-JKSUJKDBSA-N 1 0 430.330 3.696 20 0 IHADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929203 721878099 /nfs/dbraw/zinc/87/80/99/721878099.db2.gz AMEQEHKKJYYVLV-WOJBJXKFSA-N 1 0 448.640 3.847 20 0 IHADRO C[NH+](C)[C@@H]1CCCN([C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)C1 ZINC001165038981 721892882 /nfs/dbraw/zinc/89/28/82/721892882.db2.gz KWFIUIAULDPPFL-IERDGZPVSA-N 1 0 438.378 3.948 20 0 IHADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165038072 721904305 /nfs/dbraw/zinc/90/43/05/721904305.db2.gz JIUYSUREYNMDEX-HXUWFJFHSA-N 1 0 434.540 3.518 20 0 IHADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164937638 721921246 /nfs/dbraw/zinc/92/12/46/721921246.db2.gz FQTLQUIEVCPBBR-KHPPLWFESA-N 1 0 435.568 3.838 20 0 IHADRO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940155 721928330 /nfs/dbraw/zinc/92/83/30/721928330.db2.gz QSEGZZLUIJYPFV-PKNBQFBNSA-N 1 0 435.568 3.838 20 0 IHADRO COC(OC)c1cc(C)cnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939459 721929603 /nfs/dbraw/zinc/92/96/03/721929603.db2.gz LOQCZOJUHOOART-UHFFFAOYSA-N 1 0 425.573 3.861 20 0 IHADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c2[nH]cnc21 ZINC001165044459 721958728 /nfs/dbraw/zinc/95/87/28/721958728.db2.gz LZZIEJDNRXXJLW-UHFFFAOYSA-N 1 0 438.532 3.506 20 0 IHADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2N1C1CCCC1 ZINC001165050077 721970254 /nfs/dbraw/zinc/97/02/54/721970254.db2.gz ZUNXYFHFWINDCZ-CTNGQTDRSA-N 1 0 440.636 3.825 20 0 IHADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2N1C1CCCC1 ZINC001165050080 721970267 /nfs/dbraw/zinc/97/02/67/721970267.db2.gz ZUNXYFHFWINDCZ-TZIWHRDSSA-N 1 0 440.636 3.825 20 0 IHADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)n2)cc1 ZINC001165048003 721974081 /nfs/dbraw/zinc/97/40/81/721974081.db2.gz HZLYJGHNASSENI-GOSISDBHSA-N 1 0 430.574 3.517 20 0 IHADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1C ZINC001165056103 722017251 /nfs/dbraw/zinc/01/72/51/722017251.db2.gz WCLMFAVDMAQDHE-UHFFFAOYSA-N 1 0 436.629 3.664 20 0 IHADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2)C1 ZINC001164955654 722021585 /nfs/dbraw/zinc/02/15/85/722021585.db2.gz MCVZFRXUQCACRE-OAQYLSRUSA-N 1 0 433.600 3.841 20 0 IHADRO Clc1nc2c(c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n1)CCCC2 ZINC001164958130 722053961 /nfs/dbraw/zinc/05/39/61/722053961.db2.gz CZGSWUCVKCCBIQ-UHFFFAOYSA-N 1 0 427.980 3.523 20 0 IHADRO Clc1nnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2c1CCCC2 ZINC001164964554 722055324 /nfs/dbraw/zinc/05/53/24/722055324.db2.gz VLBWHSGJSAGICF-UHFFFAOYSA-N 1 0 427.980 3.523 20 0 IHADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2)ccn1 ZINC001164961575 722059474 /nfs/dbraw/zinc/05/94/74/722059474.db2.gz MAPYOTFVPYPISD-UHFFFAOYSA-N 1 0 435.597 3.694 20 0 IHADRO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164963649 722064398 /nfs/dbraw/zinc/06/43/98/722064398.db2.gz BVMWIXMQTGKHOE-XZOQPEGZSA-N 1 0 445.592 3.590 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164971876 722109105 /nfs/dbraw/zinc/10/91/05/722109105.db2.gz CYMONOMHBXRMTI-SJLPKXTDSA-N 1 0 429.977 3.775 20 0 IHADRO Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c3c2c1 ZINC001164976979 722136425 /nfs/dbraw/zinc/13/64/25/722136425.db2.gz HMJZJZOPCKHAFF-DYESRHJHSA-N 1 0 448.958 3.887 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977970 722136909 /nfs/dbraw/zinc/13/69/09/722136909.db2.gz IYFICSFXAGTSBC-QUCCMNQESA-N 1 0 440.979 3.788 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977015 722139745 /nfs/dbraw/zinc/13/97/45/722139745.db2.gz HNLZJEPFTVWVPC-RTBURBONSA-N 1 0 429.996 3.858 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164977092 722147316 /nfs/dbraw/zinc/14/73/16/722147316.db2.gz IROJPPLRCFYWOQ-NOZRDPDXSA-N 1 0 429.568 3.828 20 0 IHADRO c1ccc(SCc2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973257 722154488 /nfs/dbraw/zinc/15/44/88/722154488.db2.gz LWFDRKBMLPVZPH-GGAORHGYSA-N 1 0 447.608 3.891 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972739 722154993 /nfs/dbraw/zinc/15/49/93/722154993.db2.gz JEDDDJXGLRNSTA-WOJBJXKFSA-N 1 0 427.980 3.828 20 0 IHADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975298 722158784 /nfs/dbraw/zinc/15/87/84/722158784.db2.gz RPQGSBXPHICOFZ-UWJYYQICSA-N 1 0 448.945 3.891 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](OCCOC)[C@@H]2Cc2cnn(C)c2)nc1 ZINC001164998742 722225059 /nfs/dbraw/zinc/22/50/59/722225059.db2.gz FECIZPKDHOXPBN-TZRRMPRUSA-N 1 0 441.620 3.605 20 0 IHADRO COc1cccc2c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc(Cl)nc12 ZINC001165000665 722250467 /nfs/dbraw/zinc/25/04/67/722250467.db2.gz IVTBYRGTXSQEBH-UHFFFAOYSA-N 1 0 429.952 3.582 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)CCC2 ZINC001165000962 722250872 /nfs/dbraw/zinc/25/08/72/722250872.db2.gz XHGQZNLYAJYVGI-UHFFFAOYSA-N 1 0 434.318 3.618 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccnc(Cl)c1Cl)CCC2 ZINC001164999624 722251004 /nfs/dbraw/zinc/25/10/04/722251004.db2.gz FMARZDKINKKTCM-UHFFFAOYSA-N 1 0 434.318 3.618 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)cnc1Cl)CCC2 ZINC001164999832 722251069 /nfs/dbraw/zinc/25/10/69/722251069.db2.gz GOKZRDPIMDRFPO-UHFFFAOYSA-N 1 0 434.318 3.618 20 0 IHADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165003357 722256669 /nfs/dbraw/zinc/25/66/69/722256669.db2.gz AEAVCSMOYWVRBF-UHFFFAOYSA-N 1 0 440.979 3.790 20 0 IHADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1I)C(F)(F)F ZINC000734843247 1126106559 /nfs/dbraw/zinc/10/65/59/1126106559.db2.gz IBYYTHQAYXKBGH-CVEARBPZSA-N 1 0 435.227 3.915 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001179519797 1126152503 /nfs/dbraw/zinc/15/25/03/1126152503.db2.gz BGVMBSSAZMNCMP-HSZRJFAPSA-N 1 0 447.601 3.528 20 0 IHADRO OC[C@@]1([NH2+]Cc2cnn(Cc3ccccc3)c2)CCc2cc(Br)ccc2C1 ZINC001196104839 1126153541 /nfs/dbraw/zinc/15/35/41/1126153541.db2.gz QAKBREIXHIIJOB-JOCHJYFZSA-N 1 0 426.358 3.704 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(OC)c(Br)cc2F)cc1OC ZINC001203579019 1126158868 /nfs/dbraw/zinc/15/88/68/1126158868.db2.gz BWZSGSHARSBANT-FQEVSTJZSA-N 1 0 442.325 3.697 20 0 IHADRO Cc1c(O)ccc2c(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cc(=O)oc12 ZINC001460859360 1126192470 /nfs/dbraw/zinc/19/24/70/1126192470.db2.gz CPYKVTRWMDMCCU-OAQYLSRUSA-N 1 0 432.314 3.653 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc3c(C)cc(Br)cn23)cc1OC ZINC001474258521 1126204103 /nfs/dbraw/zinc/20/41/03/1126204103.db2.gz YCAQPFAJAJTPMZ-OAQYLSRUSA-N 1 0 448.361 3.506 20 0 IHADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cccc(I)c1)C(F)(F)F ZINC001620789954 1126242752 /nfs/dbraw/zinc/24/27/52/1126242752.db2.gz PBRDIIDYCYJUHJ-JKSUJKDBSA-N 1 0 435.227 3.915 20 0 IHADRO COc1ccc2c(c1)c(CC(=O)NCC[NH+](C)C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000084731123 563178547 /nfs/dbraw/zinc/17/85/47/563178547.db2.gz XPZRWGLHKJYWCD-UHFFFAOYSA-N 1 0 427.932 3.521 20 0 IHADRO CC(C)n1cnc(S(=O)(=O)N(c2ccc(Br)cc2)C2CC[NH+](C)CC2)c1 ZINC000170617403 569147238 /nfs/dbraw/zinc/14/72/38/569147238.db2.gz RMABLJBFLYKAOF-UHFFFAOYSA-N 1 0 441.395 3.516 20 0 IHADRO C(c1nc2sc3c(c2c(N2CCC4(CCCC[NH2+]4)CC2)n1)CCCC3)N1CCOCC1 ZINC001164388131 718803394 /nfs/dbraw/zinc/80/33/94/718803394.db2.gz UJJYABVXFQREGX-UHFFFAOYSA-N 1 0 441.645 3.515 20 0 IHADRO O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]12 ZINC001164401428 718859792 /nfs/dbraw/zinc/85/97/92/718859792.db2.gz DMCLLJHPAIFPCF-MSOLQXFVSA-N 1 0 430.886 3.829 20 0 IHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414001 718880828 /nfs/dbraw/zinc/88/08/28/718880828.db2.gz PJBFICFMNWGJJS-GFCCVEGCSA-N 1 0 427.801 3.720 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164617190 719008858 /nfs/dbraw/zinc/00/88/58/719008858.db2.gz MZJKRPGSDBFNME-BEFAXECRSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164618236 719017993 /nfs/dbraw/zinc/01/79/93/719017993.db2.gz RINGAOUANAWJTE-JEBQAFNWSA-N 1 0 439.865 3.816 20 0 IHADRO C(c1nc2sc3c(c2c(N2CCC(C4C[NH2+]C4)CC2)n1)CCCC3)N1CCCCC1 ZINC001164615901 719037322 /nfs/dbraw/zinc/03/73/22/719037322.db2.gz SBSLATQLSYVMIJ-UHFFFAOYSA-N 1 0 425.646 3.992 20 0 IHADRO c1ccc(CN2CCc3ncnc(N4CC[C@@]5(C[NH2+]C[C@@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618813 719044292 /nfs/dbraw/zinc/04/42/92/719044292.db2.gz BUAPQYFYBNXPJA-SHQCIBLASA-N 1 0 425.580 3.618 20 0 IHADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626206 719044706 /nfs/dbraw/zinc/04/47/06/719044706.db2.gz QZDMGMYJRRRJLK-DYESRHJHSA-N 1 0 433.934 3.859 20 0 IHADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164625284 719048208 /nfs/dbraw/zinc/04/82/08/719048208.db2.gz PDWDXWCDNUUGJB-YSGRDPCXSA-N 1 0 426.870 3.519 20 0 IHADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164623303 719050110 /nfs/dbraw/zinc/05/01/10/719050110.db2.gz MQZSWBRCAFUHGX-AUUYWEPGSA-N 1 0 435.931 3.954 20 0 IHADRO Clc1nnc(Cl)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1N1CCOCC1 ZINC001164627437 719113980 /nfs/dbraw/zinc/11/39/80/719113980.db2.gz KLKOCBPGJFKXNA-ROUUACIJSA-N 1 0 448.398 3.721 20 0 IHADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@H](C5([NH3+])CC5)[C@H](CF)C4)c32)C1 ZINC001164620592 719122325 /nfs/dbraw/zinc/12/23/25/719122325.db2.gz IROOXPTZIGDSLQ-NUJGCVRESA-N 1 0 443.636 3.925 20 0 IHADRO C[C@@H]1CN([C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)[C@@H](C)C[N@@H+]1C ZINC001164638776 719214262 /nfs/dbraw/zinc/21/42/62/719214262.db2.gz PDOZKALOKTVBIJ-WIEQDCTASA-N 1 0 438.378 3.946 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4ccsc43)CC2)c2ccccc21 ZINC001164681046 719657171 /nfs/dbraw/zinc/65/71/71/719657171.db2.gz LVNOHBWBZBSGAC-GOSISDBHSA-N 1 0 449.624 3.785 20 0 IHADRO CC(C)c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681496 719673700 /nfs/dbraw/zinc/67/37/00/719673700.db2.gz LZWZYZFPGXPIBS-FQEVSTJZSA-N 1 0 435.616 3.693 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4ncsc43)CC2)c2ccccc21 ZINC001164686126 719674034 /nfs/dbraw/zinc/67/40/34/719674034.db2.gz WPPKKGQPUZPTIG-SFHVURJKSA-N 1 0 449.624 3.785 20 0 IHADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C2CC2)n1 ZINC001164684657 719679444 /nfs/dbraw/zinc/67/94/44/719679444.db2.gz VCMJOEJTOINNPL-NRFANRHFSA-N 1 0 447.627 3.756 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)CC2 ZINC001164690219 719740146 /nfs/dbraw/zinc/74/01/46/719740146.db2.gz VPITXCJFBYYNCI-UHFFFAOYSA-N 1 0 433.531 3.617 20 0 IHADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694448 719805301 /nfs/dbraw/zinc/80/53/01/719805301.db2.gz YTGPQTDRUQKAMY-UHFFFAOYSA-N 1 0 437.569 3.816 20 0 IHADRO Cn1cnc2c1cc(C1CCN(c3cc(C[NH+](C)C)ccn3)CC1)nc2-c1cccnc1 ZINC001164696751 719881397 /nfs/dbraw/zinc/88/13/97/719881397.db2.gz AZPGXWZRVOKJFI-UHFFFAOYSA-N 1 0 427.556 3.871 20 0 IHADRO Cc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694951 719888215 /nfs/dbraw/zinc/88/82/15/719888215.db2.gz IDNBWSYVYDAEEH-UHFFFAOYSA-N 1 0 428.936 3.916 20 0 IHADRO CC(C)(C)NC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164696264 719896440 /nfs/dbraw/zinc/89/64/40/719896440.db2.gz DWYWZKLDPLBADX-UHFFFAOYSA-N 1 0 428.602 3.543 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cc(OC)ccc3n1)CC2 ZINC001164715495 720121468 /nfs/dbraw/zinc/12/14/68/720121468.db2.gz GKKFCUVSULLEER-OAQYLSRUSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816432 720124963 /nfs/dbraw/zinc/12/49/63/720124963.db2.gz YSYHSMCSAXKBPB-LVXARBLLSA-N 1 0 449.574 3.803 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C(C)C)CC2 ZINC001164714126 720136560 /nfs/dbraw/zinc/13/65/60/720136560.db2.gz WIHZKEMZFVGGTN-NRFANRHFSA-N 1 0 434.588 3.915 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)OC(C)C)CC2 ZINC001164711755 720153547 /nfs/dbraw/zinc/15/35/47/720153547.db2.gz JSHACBZPFKBTIN-OAQYLSRUSA-N 1 0 438.572 3.549 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164712369 720155814 /nfs/dbraw/zinc/15/58/14/720155814.db2.gz FZAXRWOIUWIEAQ-LJQANCHMSA-N 1 0 442.007 3.911 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164816261 720156193 /nfs/dbraw/zinc/15/61/93/720156193.db2.gz KNISMUBISJGAEE-HJPURHCSSA-N 1 0 425.964 3.949 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164817442 720165804 /nfs/dbraw/zinc/16/58/04/720165804.db2.gz PJEYXRKFRZFOOP-RLWLMLJZSA-N 1 0 429.568 3.877 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164813019 720172041 /nfs/dbraw/zinc/17/20/41/720172041.db2.gz BOHHUOYNVLWSPF-NTKDMRAZSA-N 1 0 435.597 3.938 20 0 IHADRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc2c(Cl)cccc12 ZINC001164718287 720191567 /nfs/dbraw/zinc/19/15/67/720191567.db2.gz ZHFSLHQULYXHSB-HXUWFJFHSA-N 1 0 440.979 3.541 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164817086 720193914 /nfs/dbraw/zinc/19/39/14/720193914.db2.gz NYELSRUIXJIOIX-FDDCHVKYSA-N 1 0 435.996 3.875 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(Cl)c(Cl)n1)CCC2 ZINC001164814078 720221483 /nfs/dbraw/zinc/22/14/83/720221483.db2.gz SDALWTVVLXRBHV-UHFFFAOYSA-N 1 0 446.329 3.741 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(F)cc3ccc(Cl)nc31)CCC2 ZINC001164813391 720223737 /nfs/dbraw/zinc/22/37/37/720223737.db2.gz LANKEDUPBNVPRQ-UHFFFAOYSA-N 1 0 429.927 3.835 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)CC1 ZINC001164820637 720294392 /nfs/dbraw/zinc/29/43/92/720294392.db2.gz HWYJZLOVSHWONY-JKSUJKDBSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2Cl)CC1 ZINC001164823181 720296867 /nfs/dbraw/zinc/29/68/67/720296867.db2.gz PEXROHMMHBMOJG-IAGOWNOFSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC001164820496 720298962 /nfs/dbraw/zinc/29/89/62/720298962.db2.gz HGXWAQCSBWVWMV-FCHUYYIVSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc3ccc(F)cc32)CC1 ZINC001164821011 720307115 /nfs/dbraw/zinc/30/71/15/720307115.db2.gz IUCJREYRPNPQBC-WOJBJXKFSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3nc(Cl)cnc3cc2Cl)CC1 ZINC001164822112 720313322 /nfs/dbraw/zinc/31/33/22/720313322.db2.gz MVLVTZVCIZYBRU-RBUKOAKNSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c(Cl)cccc32)CC1 ZINC001164818917 720313620 /nfs/dbraw/zinc/31/36/20/720313620.db2.gz BRJIBNNJXZWNJY-QZTJIDSGSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1cccc2c(Cl)nnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164823187 720316231 /nfs/dbraw/zinc/31/62/31/720316231.db2.gz PFDIVOOAFXVGDR-RTBURBONSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(-c3c[nH]c4ccccc34)n2)CC1 ZINC001164831922 720316480 /nfs/dbraw/zinc/31/64/80/720316480.db2.gz SBESDJLVOGNUFN-ZEQRLZLVSA-N 1 0 444.583 3.536 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)CC1 ZINC001164832005 720317508 /nfs/dbraw/zinc/31/75/08/720317508.db2.gz SSSZANXECYKSLO-HZPDHXFCSA-N 1 0 447.357 3.845 20 0 IHADRO COc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2cc(Cl)ccc12 ZINC001164829783 720318756 /nfs/dbraw/zinc/31/87/56/720318756.db2.gz NTJJKUHJMQZHAU-LEWJYISDSA-N 1 0 442.991 3.808 20 0 IHADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825437 720319883 /nfs/dbraw/zinc/31/98/83/720319883.db2.gz FCHJQURIJMOXGD-LEWJYISDSA-N 1 0 427.980 3.503 20 0 IHADRO CC(C)c1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)(C)C)n1 ZINC001164823472 720345644 /nfs/dbraw/zinc/34/56/44/720345644.db2.gz GHNDGLOIWIUGBM-RTWAWAEBSA-N 1 0 427.637 3.809 20 0 IHADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164726737 720351928 /nfs/dbraw/zinc/35/19/28/720351928.db2.gz ROMIAEWIPGOWMF-VXKWHMMOSA-N 1 0 447.970 3.913 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Sc2ccc(Cl)nc2)CC1 ZINC001164830833 720353899 /nfs/dbraw/zinc/35/38/99/720353899.db2.gz XNJBTYAONBUBLQ-IAGOWNOFSA-N 1 0 444.979 3.785 20 0 IHADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722657 720358693 /nfs/dbraw/zinc/35/86/93/720358693.db2.gz GEXDBJUTIISQED-UXHICEINSA-N 1 0 445.958 3.776 20 0 IHADRO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1OC ZINC001164725050 720387600 /nfs/dbraw/zinc/38/76/00/720387600.db2.gz LKYMHFGNOZPHSW-MSOLQXFVSA-N 1 0 425.920 3.549 20 0 IHADRO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1OC ZINC001164725051 720388640 /nfs/dbraw/zinc/38/86/40/720388640.db2.gz LKYMHFGNOZPHSW-QZTJIDSGSA-N 1 0 425.920 3.549 20 0 IHADRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)O2)n1 ZINC001164832049 720404002 /nfs/dbraw/zinc/40/40/02/720404002.db2.gz YJEKGJIKLDZTED-ZLNRFVROSA-N 1 0 431.540 3.830 20 0 IHADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164723928 720406078 /nfs/dbraw/zinc/40/60/78/720406078.db2.gz ICUMPZXOJJAECS-ZWKOTPCHSA-N 1 0 426.883 3.705 20 0 IHADRO Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164726371 720495121 /nfs/dbraw/zinc/49/51/21/720495121.db2.gz LMPNLYGSCYVYFY-SQJMNOBHSA-N 1 0 440.563 3.541 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(C(=O)Nc3ccc(Cl)nc3)ccc2F)C1 ZINC001164729455 720515379 /nfs/dbraw/zinc/51/53/79/720515379.db2.gz NTQGPPKBYGSRQZ-OAHLLOKOSA-N 1 0 442.926 3.521 20 0 IHADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164732579 720524233 /nfs/dbraw/zinc/52/42/33/720524233.db2.gz FLXYAYKXHXFIAR-GOSISDBHSA-N 1 0 441.649 3.544 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)C1 ZINC001164735522 720525956 /nfs/dbraw/zinc/52/59/56/720525956.db2.gz ZCMOKXZINQMBQR-ZDUSSCGKSA-N 1 0 438.935 3.798 20 0 IHADRO COC(=O)c1cc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cnc1Cl ZINC001164733171 720544514 /nfs/dbraw/zinc/54/45/14/720544514.db2.gz BTZGYYWELSVKJH-AWEZNQCLSA-N 1 0 431.911 3.583 20 0 IHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001164736061 720545808 /nfs/dbraw/zinc/54/58/08/720545808.db2.gz UXFQEMDGRSGZOH-AWEZNQCLSA-N 1 0 431.911 3.583 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(OCc4ccccc4)cnn3)CC[C@@H]21 ZINC001164840157 720558527 /nfs/dbraw/zinc/55/85/27/720558527.db2.gz RWWAVFJTQVCPGN-FIXSFTCYSA-N 1 0 432.572 3.630 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@@H]21 ZINC001164839167 720574941 /nfs/dbraw/zinc/57/49/41/720574941.db2.gz PRQRGEQXDSFYNL-CBQOVEMMSA-N 1 0 436.535 3.982 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835158 720583806 /nfs/dbraw/zinc/58/38/06/720583806.db2.gz AEIHOZZGMVIGAS-SOUVJXGZSA-N 1 0 442.967 3.538 20 0 IHADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164740339 720592997 /nfs/dbraw/zinc/59/29/97/720592997.db2.gz IPQHJEIMTICQEB-UHFFFAOYSA-N 1 0 442.926 3.916 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccccc4nc3N3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840175 720595003 /nfs/dbraw/zinc/59/50/03/720595003.db2.gz PEJRAQNTRAFHCF-ZFGGDYGUSA-N 1 0 445.615 3.804 20 0 IHADRO COc1ccc(-c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncn2)cc1 ZINC001164841214 720614127 /nfs/dbraw/zinc/61/41/27/720614127.db2.gz RSYLFYBKQHHYOJ-AWRGLXIESA-N 1 0 432.572 3.727 20 0 IHADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842007 720660602 /nfs/dbraw/zinc/66/06/02/720660602.db2.gz RPIXWJHWSUYBLF-SFHVURJKSA-N 1 0 444.963 3.567 20 0 IHADRO CCOC(=O)c1cc(Cl)nnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837080 720674765 /nfs/dbraw/zinc/67/47/65/720674765.db2.gz BHUMEGQTTJGEMM-GOSISDBHSA-N 1 0 444.963 3.567 20 0 IHADRO CCOc1ccc(C(=O)OC)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844926 720696694 /nfs/dbraw/zinc/69/66/94/720696694.db2.gz WLFXNWUOWFXLGZ-FQEVSTJZSA-N 1 0 439.556 3.527 20 0 IHADRO O=C(NCc1ccccc1)c1nc2c(s1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164844741 720745802 /nfs/dbraw/zinc/74/58/02/720745802.db2.gz SWDYVXXRYZWURP-UHFFFAOYSA-N 1 0 447.608 3.669 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164745534 720809269 /nfs/dbraw/zinc/80/92/69/720809269.db2.gz KTEGHODLBHDHKW-WSTZPKSXSA-N 1 0 437.617 3.786 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(C)cc2c1 ZINC001164747524 720809953 /nfs/dbraw/zinc/80/99/53/720809953.db2.gz OKWOVDOBEUODRJ-YZUZCNPQSA-N 1 0 432.572 3.523 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2sccc2n1 ZINC001164739212 720822859 /nfs/dbraw/zinc/82/28/59/720822859.db2.gz HSMGMMDEHAFNRC-SOLBZPMBSA-N 1 0 428.993 3.921 20 0 IHADRO Clc1cccc(-c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)n1 ZINC001164738431 720829372 /nfs/dbraw/zinc/82/93/72/720829372.db2.gz FRIZKILCJJNCPZ-WOIUINJBSA-N 1 0 449.990 3.768 20 0 IHADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164741282 720832218 /nfs/dbraw/zinc/83/22/18/720832218.db2.gz DWLPURATVGOJAE-XKCSPQBFSA-N 1 0 446.603 3.517 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)CC[C@@H]2C1 ZINC001164853758 720845668 /nfs/dbraw/zinc/84/56/68/720845668.db2.gz PEDPFPHKWHVOLU-PXAZEXFGSA-N 1 0 445.778 3.764 20 0 IHADRO Clc1cccc(-c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)c1 ZINC001164741647 720849895 /nfs/dbraw/zinc/84/98/95/720849895.db2.gz FMRWGYYDDOYHPK-IEIRFRATSA-N 1 0 449.990 3.768 20 0 IHADRO Fc1cc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1Cl ZINC001164750293 720855849 /nfs/dbraw/zinc/85/58/49/720855849.db2.gz PICLTINOISCLCK-KGVIQGDOSA-N 1 0 440.954 3.998 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@H]2C1 ZINC001164852714 720862191 /nfs/dbraw/zinc/86/21/91/720862191.db2.gz FNQXETPDXQKQQQ-FUHWJXTLSA-N 1 0 425.907 3.607 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@@H]2C1 ZINC001164852712 720862493 /nfs/dbraw/zinc/86/24/93/720862493.db2.gz FNQXETPDXQKQQQ-AEFFLSMTSA-N 1 0 425.907 3.607 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)CC[C@H]2C1 ZINC001164854012 720865046 /nfs/dbraw/zinc/86/50/46/720865046.db2.gz HZLIEEIMOMHAEW-KSSFIOAISA-N 1 0 440.371 3.724 20 0 IHADRO c1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164754948 720870982 /nfs/dbraw/zinc/87/09/82/720870982.db2.gz UUUILQFODVAOFY-RDPSFJRHSA-N 1 0 435.597 3.841 20 0 IHADRO Clc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752358 720872362 /nfs/dbraw/zinc/87/23/62/720872362.db2.gz MQAQKCVWULJMCQ-PGRDOPGGSA-N 1 0 448.398 3.934 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@H]2C1 ZINC001164859936 720872909 /nfs/dbraw/zinc/87/29/09/720872909.db2.gz NFKQGEFHVBBVFC-SMDDNHRTSA-N 1 0 444.737 3.760 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(F)cc4)c4ccccc43)CC[C@H]2C1 ZINC001164854360 720876220 /nfs/dbraw/zinc/87/62/20/720876220.db2.gz DYXJBDSDKROYTL-CVDCTZTESA-N 1 0 436.531 3.609 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]2C1 ZINC001164863682 720883435 /nfs/dbraw/zinc/88/34/35/720883435.db2.gz TZPQNJHXBRBMQL-VQIMIIECSA-N 1 0 425.907 3.607 20 0 IHADRO Fc1ccc2ncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164753284 720885402 /nfs/dbraw/zinc/88/54/02/720885402.db2.gz GIIDMXYSGIPZDX-RLWLMLJZSA-N 1 0 447.558 3.919 20 0 IHADRO Cc1nc(C)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)n1 ZINC001164749476 720885725 /nfs/dbraw/zinc/88/57/25/720885725.db2.gz ACJDCWOARVBPSI-URXFXBBRSA-N 1 0 442.007 3.897 20 0 IHADRO Fc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749914 720886023 /nfs/dbraw/zinc/88/60/23/720886023.db2.gz AWFKITNKFAOALG-RLWLMLJZSA-N 1 0 447.558 3.919 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@H]2C1 ZINC001164856961 720893127 /nfs/dbraw/zinc/89/31/27/720893127.db2.gz ITRYCFHRHOZFSJ-JXFKEZNVSA-N 1 0 443.966 3.722 20 0 IHADRO Fc1ccc2cnnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755586 720893360 /nfs/dbraw/zinc/89/33/60/720893360.db2.gz MATVFZBOIQMKDT-ATIYNZHBSA-N 1 0 447.558 3.919 20 0 IHADRO Fc1ccc2cnnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755588 720893481 /nfs/dbraw/zinc/89/34/81/720893481.db2.gz MATVFZBOIQMKDT-BKMJKUGQSA-N 1 0 447.558 3.919 20 0 IHADRO CCCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)n1 ZINC001164756854 720897403 /nfs/dbraw/zinc/89/74/03/720897403.db2.gz RQJAXMKQFKKOTB-ZEQKJWHPSA-N 1 0 435.616 3.888 20 0 IHADRO Nc1cc(F)c(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751772 720899894 /nfs/dbraw/zinc/89/98/94/720899894.db2.gz DMDFEFYUSBSJGZ-MBSDFSHPSA-N 1 0 445.970 3.606 20 0 IHADRO Nc1cc(F)c(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751770 720900492 /nfs/dbraw/zinc/90/04/92/720900492.db2.gz DMDFEFYUSBSJGZ-JPYJTQIMSA-N 1 0 445.970 3.606 20 0 IHADRO Fc1nc(F)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)n1 ZINC001164748573 720907287 /nfs/dbraw/zinc/90/72/87/720907287.db2.gz HBWYUXHLSIFQLD-HTAPYJJXSA-N 1 0 449.933 3.558 20 0 IHADRO FC(F)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755056 720931193 /nfs/dbraw/zinc/93/11/93/720931193.db2.gz XZRIAQKLGMZYSH-NFBKMPQASA-N 1 0 429.515 3.564 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)[C@H]2C ZINC001164856261 720990364 /nfs/dbraw/zinc/99/03/64/720990364.db2.gz AIHVFCSJTGQIJL-ZDUSSCGKSA-N 1 0 435.910 3.841 20 0 IHADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C(=O)N5CCOCC5)cn4)CC3)CC2)cc1 ZINC001164770284 721041809 /nfs/dbraw/zinc/04/18/09/721041809.db2.gz XJBNJVROTGUCBV-UHFFFAOYSA-N 1 0 448.611 3.745 20 0 IHADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)c12 ZINC001164760007 721044705 /nfs/dbraw/zinc/04/47/05/721044705.db2.gz UFLPQFXSPFMNIH-UHFFFAOYSA-N 1 0 433.556 3.936 20 0 IHADRO CCn1nnc2c1CCN(c1ncccc1C[NH+]1CCCC1)[C@H]2COCc1ccccc1 ZINC001164774805 721049253 /nfs/dbraw/zinc/04/92/53/721049253.db2.gz YKDNRRKNQRJFCQ-QHCPKHFHSA-N 1 0 432.572 3.609 20 0 IHADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869515 721049238 /nfs/dbraw/zinc/04/92/38/721049238.db2.gz UCBPQLLVJYURTB-HOTGVXAUSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865839 721054046 /nfs/dbraw/zinc/05/40/46/721054046.db2.gz AKOMCGFAVFEINF-GJZGRUSLSA-N 1 0 429.298 3.808 20 0 IHADRO Clc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164865600 721076380 /nfs/dbraw/zinc/07/63/80/721076380.db2.gz NJICIBZFEBJKBZ-RTWAWAEBSA-N 1 0 435.959 3.596 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C[C@H]3C2)cn1 ZINC001164769292 721090267 /nfs/dbraw/zinc/09/02/67/721090267.db2.gz OKPBVEZYAYATIN-HZPDHXFCSA-N 1 0 432.906 3.520 20 0 IHADRO Clc1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1Cl ZINC001164866177 721119020 /nfs/dbraw/zinc/11/90/20/721119020.db2.gz RPYZIWWIKVYXQE-JKSUJKDBSA-N 1 0 430.339 3.811 20 0 IHADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C2)n1)CCCC3 ZINC001164876974 721138902 /nfs/dbraw/zinc/13/89/02/721138902.db2.gz NHEDKTVXLCPPIL-OALUTQOASA-N 1 0 435.597 3.753 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164878498 721162287 /nfs/dbraw/zinc/16/22/87/721162287.db2.gz QHRRXRYWPKZLIJ-RBUKOAKNSA-N 1 0 439.922 3.811 20 0 IHADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164871570 721173642 /nfs/dbraw/zinc/17/36/42/721173642.db2.gz FLNCYUPSKUKEQV-FGZHOGPDSA-N 1 0 433.581 3.644 20 0 IHADRO Clc1ncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Oc2ccccc2)n1 ZINC001164881175 721184064 /nfs/dbraw/zinc/18/40/64/721184064.db2.gz ZMXCQZUKEFKPIW-QUCCMNQESA-N 1 0 437.931 3.797 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164768612 721190181 /nfs/dbraw/zinc/19/01/81/721190181.db2.gz LKEWIXLTUWRWFM-GOTSBHOMSA-N 1 0 438.579 3.912 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164768618 721190213 /nfs/dbraw/zinc/19/02/13/721190213.db2.gz LKEWIXLTUWRWFM-PKTZIBPZSA-N 1 0 438.579 3.912 20 0 IHADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868874 721194926 /nfs/dbraw/zinc/19/49/26/721194926.db2.gz ORWFFLOCVZWVPI-IAGOWNOFSA-N 1 0 434.918 3.643 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@@H]3C2)cn1 ZINC001164772377 721197617 /nfs/dbraw/zinc/19/76/17/721197617.db2.gz UGCJOZVCZWHTRG-SJORKVTESA-N 1 0 442.926 3.753 20 0 IHADRO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766499 721248467 /nfs/dbraw/zinc/24/84/67/721248467.db2.gz UPDHMZOTGNDDOI-DOTOQJQBSA-N 1 0 429.927 3.728 20 0 IHADRO COc1ccc2nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ccc2c1 ZINC001164778186 721345339 /nfs/dbraw/zinc/34/53/39/721345339.db2.gz KGXSTDPLWWNDKX-RUZDIDTESA-N 1 0 436.556 3.967 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@H]3C2)nc1 ZINC001164888619 721352473 /nfs/dbraw/zinc/35/24/73/721352473.db2.gz XQHFHOQYMGAILI-GVAUOCQISA-N 1 0 448.611 3.996 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1 ZINC001164777828 721353877 /nfs/dbraw/zinc/35/38/77/721353877.db2.gz ILIVLOFNOOXWHV-RUZDIDTESA-N 1 0 446.555 3.835 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(OC(C)(C)C)n3)C2)C1 ZINC001164778816 721354885 /nfs/dbraw/zinc/35/48/85/721354885.db2.gz OVAGHFMHLGMVQT-DEOSSOPVSA-N 1 0 428.577 3.983 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164890983 721383919 /nfs/dbraw/zinc/38/39/19/721383919.db2.gz PSWKTBFYSSXQCM-HNAYVOBHSA-N 1 0 449.373 3.699 20 0 IHADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164897832 721425602 /nfs/dbraw/zinc/42/56/02/721425602.db2.gz UTEXWTJUMJNGIH-YKSBVNFPSA-N 1 0 429.008 3.962 20 0 IHADRO CCCCOc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164893683 721429613 /nfs/dbraw/zinc/42/96/13/721429613.db2.gz JYFPFFLTLOQLJU-WMZHIEFXSA-N 1 0 437.028 3.679 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164897984 721438772 /nfs/dbraw/zinc/43/87/72/721438772.db2.gz VIABOXNUOBDOJI-ATIYNZHBSA-N 1 0 435.616 3.526 20 0 IHADRO CC(C)c1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894866 721441270 /nfs/dbraw/zinc/44/12/70/721441270.db2.gz MTAMQYJBSLLIQG-NBGIEHNGSA-N 1 0 429.653 3.663 20 0 IHADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894917 721446808 /nfs/dbraw/zinc/44/68/08/721446808.db2.gz NGKLVZMZHCKOGZ-GWJPWWOOSA-N 1 0 436.044 3.717 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164788620 721460361 /nfs/dbraw/zinc/46/03/61/721460361.db2.gz UUUWPTUPGXTOSO-LJQANCHMSA-N 1 0 435.012 3.741 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164789392 721461309 /nfs/dbraw/zinc/46/13/09/721461309.db2.gz XPXYONNDKGEUBF-HXUWFJFHSA-N 1 0 449.599 3.845 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164789432 721468649 /nfs/dbraw/zinc/46/86/49/721468649.db2.gz MTKPJFIOEXTGLM-NRFANRHFSA-N 1 0 439.600 3.977 20 0 IHADRO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792879 721492660 /nfs/dbraw/zinc/49/26/60/721492660.db2.gz UOGOZJLTNXJJFY-UHFFFAOYSA-N 1 0 429.952 3.583 20 0 IHADRO CNC(=O)N[C@H]1CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)c2ccc(C)cc21 ZINC001164897178 721493067 /nfs/dbraw/zinc/49/30/67/721493067.db2.gz BXATWGSBKGGLDW-QHCPKHFHSA-N 1 0 433.600 3.898 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)CC[N@@H+]3C2)c1 ZINC001164902529 721538915 /nfs/dbraw/zinc/53/89/15/721538915.db2.gz AFHUVPGZDASEFY-FYYLOGMGSA-N 1 0 443.526 3.961 20 0 IHADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906353 721540266 /nfs/dbraw/zinc/54/02/66/721540266.db2.gz KCDJRHVYGYKTHC-HKUYNNGSSA-N 1 0 446.954 3.744 20 0 IHADRO COc1cc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc2cc1OC ZINC001164804091 721582456 /nfs/dbraw/zinc/58/24/56/721582456.db2.gz IHJJXQCRMCOZFI-STWLZBDKSA-N 1 0 434.540 3.515 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2F)[C@@H]2CCCO[C@@H]12 ZINC001164807511 721582723 /nfs/dbraw/zinc/58/27/23/721582723.db2.gz OHVQEDQUEKKOSE-SYYKKAFVSA-N 1 0 427.911 3.686 20 0 IHADRO FC1(F)CCN(c2ccc(N3CCCCC3)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164903381 721583378 /nfs/dbraw/zinc/58/33/78/721583378.db2.gz MUKDXKXYEWSFAT-JOCHJYFZSA-N 1 0 428.531 3.600 20 0 IHADRO Fc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164905053 721584265 /nfs/dbraw/zinc/58/42/65/721584265.db2.gz RWDDEHRQRGDJHS-IBGZPJMESA-N 1 0 436.869 3.883 20 0 IHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164798958 721600284 /nfs/dbraw/zinc/60/02/84/721600284.db2.gz HPQAFAVXKZHRFD-UHFFFAOYSA-N 1 0 449.933 3.800 20 0 IHADRO COc1cccc2c1ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903635 721692528 /nfs/dbraw/zinc/69/25/28/721692528.db2.gz BBGFHNHPDDJLBM-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C)c1 ZINC001164907014 721695209 /nfs/dbraw/zinc/69/52/09/721695209.db2.gz QGUKNHQGMQSTFM-JOCHJYFZSA-N 1 0 430.499 3.699 20 0 IHADRO COc1cccc2cnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164906171 721706886 /nfs/dbraw/zinc/70/68/86/721706886.db2.gz KLKQSRMAYSBRTM-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO Cc1noc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164913474 721727889 /nfs/dbraw/zinc/72/78/89/721727889.db2.gz WDIKXOQXCFXGNJ-NRFANRHFSA-N 1 0 426.471 3.573 20 0 IHADRO FC1(F)CCN(c2cncc(N3CCCCCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909103 721732447 /nfs/dbraw/zinc/73/24/47/721732447.db2.gz BGRLCNJJQWECDH-QHCPKHFHSA-N 1 0 442.558 3.990 20 0 IHADRO FC(F)(Oc1cnc(Cl)cn1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913813 721738102 /nfs/dbraw/zinc/73/81/02/721738102.db2.gz YBBIKPRJERTROS-KRWDZBQOSA-N 1 0 445.848 3.687 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC001165009621 721744916 /nfs/dbraw/zinc/74/49/16/721744916.db2.gz HDEUHTORPZQSMF-UHFFFAOYSA-N 1 0 447.558 3.959 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@@H]21 ZINC001165019510 721801498 /nfs/dbraw/zinc/80/14/98/721801498.db2.gz CMCLSZMMPVHDCB-FHLIZLRMSA-N 1 0 449.933 3.511 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)C[C@@H]21 ZINC001165019081 721828401 /nfs/dbraw/zinc/82/84/01/721828401.db2.gz AUBYNVZONXIASQ-CWRNSKLLSA-N 1 0 444.370 3.859 20 0 IHADRO COC(=O)c1ccc(Cl)c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165022699 721841541 /nfs/dbraw/zinc/84/15/41/721841541.db2.gz SICKOSNQOAILQE-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO CCOC(=O)c1c(C)ccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165020469 721842654 /nfs/dbraw/zinc/84/26/54/721842654.db2.gz DUKFQPKCAGPIKD-UHFFFAOYSA-N 1 0 427.545 3.685 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164928257 721866224 /nfs/dbraw/zinc/86/62/24/721866224.db2.gz XZPDWLPWCXFVNQ-HOTGVXAUSA-N 1 0 430.330 3.696 20 0 IHADRO COc1cc2nc(Cl)nc(N3CC[NH+](CCOc4ccccc4)CC3)c2cc1OC ZINC001165045614 721955218 /nfs/dbraw/zinc/95/52/18/721955218.db2.gz XROBMAOPPIFPFP-UHFFFAOYSA-N 1 0 428.920 3.501 20 0 IHADRO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953712 722013513 /nfs/dbraw/zinc/01/35/13/722013513.db2.gz GFQFABXBMLRVQW-UHFFFAOYSA-N 1 0 431.540 3.694 20 0 IHADRO CCOC(=O)c1ccc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164951499 722017855 /nfs/dbraw/zinc/01/78/55/722017855.db2.gz AWGSCLPBHDGNSO-UHFFFAOYSA-N 1 0 431.540 3.694 20 0 IHADRO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)C3)n1 ZINC001164959836 722027488 /nfs/dbraw/zinc/02/74/88/722027488.db2.gz IYTDQPTZBGDZMJ-AHWVRZQESA-N 1 0 436.600 3.972 20 0 IHADRO c1cncc(-c2nc3sc4c(c3c(N3C[C@@H]5C[N@H+](CC6CC6)C[C@H](C3)O5)n2)CCC4)c1 ZINC001164967153 722075634 /nfs/dbraw/zinc/07/56/34/722075634.db2.gz LOFKCUCAHHKLQM-HDICACEKSA-N 1 0 433.581 3.541 20 0 IHADRO Clc1cc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)ccn1 ZINC001164986557 722106934 /nfs/dbraw/zinc/10/69/34/722106934.db2.gz ZHJGNTFBTZTLPW-FCHUYYIVSA-N 1 0 435.959 3.919 20 0 IHADRO Cc1nc2sc3c(c2c(N2CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C2)n1)CCC3 ZINC001164983808 722139097 /nfs/dbraw/zinc/13/90/97/722139097.db2.gz VFBVSARZKJGMSB-ICSRJNTNSA-N 1 0 435.597 3.611 20 0 IHADRO CCN(c1ccccc1)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164973175 722149213 /nfs/dbraw/zinc/14/92/13/722149213.db2.gz BIZWWDOPEXKWFK-LADGPHEKSA-N 1 0 444.583 3.757 20 0 IHADRO Fc1ccc2nc(C(F)F)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974662 722151870 /nfs/dbraw/zinc/15/18/70/722151870.db2.gz OUBSCWIHZBQOLD-OXJNMPFZSA-N 1 0 443.473 3.829 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971657 722153681 /nfs/dbraw/zinc/15/36/81/722153681.db2.gz CNHGMVMJGSEIKN-WOJBJXKFSA-N 1 0 429.996 3.759 20 0 IHADRO Clc1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C2CC2)n1 ZINC001164972612 722156477 /nfs/dbraw/zinc/15/64/77/722156477.db2.gz IRLRMWHXCWYFCS-IAGOWNOFSA-N 1 0 434.371 3.783 20 0 IHADRO COc1cc2c(cc1C[NH2+][C@]1(CO)CCc3cc(Br)ccc3C1)O[C@H](C)C2 ZINC001179147910 1126151509 /nfs/dbraw/zinc/15/15/09/1126151509.db2.gz LIOUFOQEKASZQJ-JLCFBVMHSA-N 1 0 432.358 3.791 20 0 IHADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)cc3)cs2)c1 ZINC001198218159 1126154561 /nfs/dbraw/zinc/15/45/61/1126154561.db2.gz DBPZTPKLVCEXCQ-HSZRJFAPSA-N 1 0 426.538 3.689 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1OC ZINC001203581579 1126159059 /nfs/dbraw/zinc/15/90/59/1126159059.db2.gz POAGGHBOEGVUBA-QFIPXVFZSA-N 1 0 449.473 3.992 20 0 IHADRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)o2)CC1 ZINC001205608350 1126159396 /nfs/dbraw/zinc/15/93/96/1126159396.db2.gz CDJPBSSRAAOXBM-FQEVSTJZSA-N 1 0 432.536 3.670 20 0 IHADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC001308480109 1126167040 /nfs/dbraw/zinc/16/70/40/1126167040.db2.gz RCOPBEZWPIXRAP-NRFANRHFSA-N 1 0 436.346 3.702 20 0 IHADRO CN(C)c1nc(Cl)c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001308863452 1126168678 /nfs/dbraw/zinc/16/86/78/1126168678.db2.gz BQBINODMRIGVCA-KRWDZBQOSA-N 1 0 430.799 3.635 20 0 IHADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](CO)Cc1ccccc1C ZINC001462095219 1126197298 /nfs/dbraw/zinc/19/72/98/1126197298.db2.gz MJPKWYXIIGCYOY-QGZVFWFLSA-N 1 0 448.350 3.967 20 0 IHADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1C ZINC001474169238 1126202121 /nfs/dbraw/zinc/20/21/21/1126202121.db2.gz AQSZECDSDVNUQV-OAQYLSRUSA-N 1 0 443.588 3.647 20 0 IHADRO OC[C@@]1([NH2+]Cc2ccc(OCC(F)(F)F)nc2)CCc2cc(Br)ccc2C1 ZINC001559998124 1126207402 /nfs/dbraw/zinc/20/74/02/1126207402.db2.gz RWTDNQVWLLIBLZ-GOSISDBHSA-N 1 0 445.279 3.795 20 0 IHADRO OC[C@]1([NH2+]Cc2cccc(O)c2Br)CCc2cc(Br)ccc2C1 ZINC001560532878 1126211756 /nfs/dbraw/zinc/21/17/56/1126211756.db2.gz YYTSEFKTHVXAPO-SFHVURJKSA-N 1 0 441.163 3.927 20 0 IHADRO OC[C@@]1([NH2+]Cc2ccc(Br)cn2)CCc2cc(Br)ccc2C1 ZINC001560532719 1126211768 /nfs/dbraw/zinc/21/17/68/1126211768.db2.gz UBNVDDJRERENSE-QGZVFWFLSA-N 1 0 426.152 3.616 20 0 IHADRO Cc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(O)cc2)cc1Br ZINC001560753048 1126213838 /nfs/dbraw/zinc/21/38/38/1126213838.db2.gz UCBWHQGZKQLLMC-CQSZACIVSA-N 1 0 429.152 3.919 20 0 IHADRO OC[C@@]1([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CCc2cc(Br)ccc2C1 ZINC001621004699 1126244202 /nfs/dbraw/zinc/24/42/02/1126244202.db2.gz GYBHMZLNOXKHIA-FGZHOGPDSA-N 1 0 432.358 3.626 20 0 IHADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCOCC23C[NH2+]C3)c(Cl)nn1 ZINC001164404246 718861137 /nfs/dbraw/zinc/86/11/37/718861137.db2.gz OUFYVAKKBUQSOB-UHFFFAOYSA-N 1 0 434.796 3.539 20 0 IHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413758 718880206 /nfs/dbraw/zinc/88/02/06/718880206.db2.gz MDPGBFVIZASMRD-LLVKDONJSA-N 1 0 427.801 3.720 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164615674 719007071 /nfs/dbraw/zinc/00/70/71/719007071.db2.gz JQMHVJHOGOCPRP-AUUYWEPGSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164619262 719018599 /nfs/dbraw/zinc/01/85/99/719018599.db2.gz VAUCLPQJPWNBPC-KKXDTOCCSA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2cccc(C)c2)c1 ZINC001164614879 719020130 /nfs/dbraw/zinc/02/01/30/719020130.db2.gz GTVIMYGBJCJZHP-AYOQOUSVSA-N 1 0 435.902 3.985 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC2)CC1 ZINC001164614335 719022262 /nfs/dbraw/zinc/02/22/62/719022262.db2.gz RKANOBZEVVWFTI-UHFFFAOYSA-N 1 0 437.318 3.572 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(COC)nc(-c4ccccc4)n3)CC2)CC1 ZINC001164613936 719022272 /nfs/dbraw/zinc/02/22/72/719022272.db2.gz KFWCZFICOANJKI-UHFFFAOYSA-N 1 0 438.572 3.534 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc4sc5c(c43)CCC5)CC2)CC1 ZINC001164618653 719031605 /nfs/dbraw/zinc/03/16/05/719031605.db2.gz XLJICFZZLZZIHS-UHFFFAOYSA-N 1 0 428.602 3.732 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(OCC)cc4)nn3)CC2)CC1 ZINC001164617639 719033599 /nfs/dbraw/zinc/03/35/99/719033599.db2.gz OLHDUQFMPFOPJH-UHFFFAOYSA-N 1 0 438.572 3.786 20 0 IHADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc5ccccc5nc4N4CCOCC4)[C@H]3C2)cc1 ZINC001164625944 719077123 /nfs/dbraw/zinc/07/71/23/719077123.db2.gz NTKQIWQBXJGHGM-QPPBQGQZSA-N 1 0 429.568 3.567 20 0 IHADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000508368886 719236439 /nfs/dbraw/zinc/23/64/39/719236439.db2.gz CXZLZKHPHILPGH-ROUUACIJSA-N 1 0 437.613 3.719 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)CC3CC3)C2)nc1 ZINC001164654663 719326322 /nfs/dbraw/zinc/32/63/22/719326322.db2.gz MNQCIVGRCCCSSL-WOLJRWFJSA-N 1 0 440.632 3.919 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1 ZINC001164654736 719328001 /nfs/dbraw/zinc/32/80/01/719328001.db2.gz MSNHJNWPLKWICQ-JOCHJYFZSA-N 1 0 433.560 3.604 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)nc1 ZINC001164677537 719545115 /nfs/dbraw/zinc/54/51/15/719545115.db2.gz FBLYXSKHTCYBKU-SSGKUCQKSA-N 1 0 426.605 3.625 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164677485 719561229 /nfs/dbraw/zinc/56/12/29/719561229.db2.gz OFWXTSAIFHZFJW-XZOQPEGZSA-N 1 0 438.616 3.650 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)ccc3F)CC2)c2ccccc21 ZINC001164684014 719661380 /nfs/dbraw/zinc/66/13/80/719661380.db2.gz VYYJCQIGSUCHHH-KRWDZBQOSA-N 1 0 444.982 3.968 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C(C)(C)C)ncn3)CC2)c2ccccc21 ZINC001164680899 719677433 /nfs/dbraw/zinc/67/74/33/719677433.db2.gz IOIVIYHLLHBPAF-FQEVSTJZSA-N 1 0 449.643 3.868 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(C(F)F)cn3)CC2)c2ccccc21 ZINC001164687196 719681710 /nfs/dbraw/zinc/68/17/10/719681710.db2.gz QUVBQNKYZMBWLM-KRWDZBQOSA-N 1 0 443.542 3.508 20 0 IHADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693849 719804164 /nfs/dbraw/zinc/80/41/64/719804164.db2.gz VJLAEEXNOBROBS-UHFFFAOYSA-N 1 0 435.981 3.707 20 0 IHADRO Cc1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(Cl)n1 ZINC001164696044 719890778 /nfs/dbraw/zinc/89/07/78/719890778.db2.gz VNWXNWQNAPSZIQ-UHFFFAOYSA-N 1 0 428.936 3.916 20 0 IHADRO Nc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164697102 719894579 /nfs/dbraw/zinc/89/45/79/719894579.db2.gz JQPDDZWQMBXHIG-UHFFFAOYSA-N 1 0 428.936 3.795 20 0 IHADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1Cl ZINC001164810388 720091175 /nfs/dbraw/zinc/09/11/75/720091175.db2.gz LKFLRHIBODARRX-YCRPNKLZSA-N 1 0 442.387 3.750 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164711183 720092701 /nfs/dbraw/zinc/09/27/01/720092701.db2.gz PDZKKYUTGQHEIQ-KRWDZBQOSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164718614 720107408 /nfs/dbraw/zinc/10/74/08/720107408.db2.gz TWJUNUXSWYPRDP-WIYYLYMNSA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164718612 720108077 /nfs/dbraw/zinc/10/80/77/720108077.db2.gz TWJUNUXSWYPRDP-NQIIRXRSSA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3nc[nH]c31)CC2 ZINC001164719100 720115570 /nfs/dbraw/zinc/11/55/70/720115570.db2.gz WBBNRIWLSOCNJX-KRWDZBQOSA-N 1 0 426.952 3.514 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164807952 720122042 /nfs/dbraw/zinc/12/20/42/720122042.db2.gz DASBNKVSPCFUOK-GBXCKJPGSA-N 1 0 442.991 3.894 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164714904 720125174 /nfs/dbraw/zinc/12/51/74/720125174.db2.gz DWXMMCQGQZRMSQ-LJQANCHMSA-N 1 0 438.963 3.581 20 0 IHADRO CCOC(=O)c1cc2c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)[nH]c(C)c(C)c-2n1 ZINC001164808501 720134275 /nfs/dbraw/zinc/13/42/75/720134275.db2.gz FHUVEBXRYQITMH-DFBJGRDBSA-N 1 0 440.588 3.541 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164711238 720141444 /nfs/dbraw/zinc/14/14/44/720141444.db2.gz GHYVTHAHWPUCMP-QFIPXVFZSA-N 1 0 444.583 3.750 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(-c3nccs3)n1)CC2 ZINC001164713863 720155870 /nfs/dbraw/zinc/15/58/70/720155870.db2.gz MEFAHIRSSVQFAG-IBGZPJMESA-N 1 0 436.585 3.503 20 0 IHADRO Cc1ccc2nc(Cl)cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164719202 720176414 /nfs/dbraw/zinc/17/64/14/720176414.db2.gz UJVIIKGOHJAAMG-NRFANRHFSA-N 1 0 440.979 3.541 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)C2 ZINC001164815067 720192285 /nfs/dbraw/zinc/19/22/85/720192285.db2.gz HTUBQTBQTQHXJG-WMZHIEFXSA-N 1 0 427.980 3.685 20 0 IHADRO Cc1c(Cl)ccc2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc21 ZINC001164715068 720193104 /nfs/dbraw/zinc/19/31/04/720193104.db2.gz IVXZTGMXOGUIOJ-HXUWFJFHSA-N 1 0 440.979 3.541 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(Cl)c1)CCC2 ZINC001164813504 720211691 /nfs/dbraw/zinc/21/16/91/720211691.db2.gz QKBGIHMCJUXBSX-UHFFFAOYSA-N 1 0 446.329 3.741 20 0 IHADRO CCCCOc1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(Cl)c1 ZINC001164812140 720233023 /nfs/dbraw/zinc/23/30/23/720233023.db2.gz BTYNXFYBWIMBHL-UHFFFAOYSA-N 1 0 433.984 3.721 20 0 IHADRO CCc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nn2)cc1 ZINC001164813377 720240155 /nfs/dbraw/zinc/24/01/55/720240155.db2.gz NPDMPVIVEUWCJX-UHFFFAOYSA-N 1 0 432.572 3.513 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164828330 720308524 /nfs/dbraw/zinc/30/85/24/720308524.db2.gz ZYWPMSDQCYDGSO-DLBZAZTESA-N 1 0 434.009 3.565 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164828334 720309551 /nfs/dbraw/zinc/30/95/51/720309551.db2.gz ZYWPMSDQCYDGSO-IRXDYDNUSA-N 1 0 434.009 3.565 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c(Cl)cccc32)CC1 ZINC001164818918 720313434 /nfs/dbraw/zinc/31/34/34/720313434.db2.gz BRJIBNNJXZWNJY-ROUUACIJSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1cccc2c(Cl)nnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164823185 720316629 /nfs/dbraw/zinc/31/66/29/720316629.db2.gz PFDIVOOAFXVGDR-OALUTQOASA-N 1 0 427.980 3.503 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829057 720327089 /nfs/dbraw/zinc/32/70/89/720327089.db2.gz LOYZBSSRSUGXPD-PMACEKPBSA-N 1 0 433.556 3.596 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)Sc2ccc(Cl)nc2)CC1 ZINC001164830837 720353647 /nfs/dbraw/zinc/35/36/47/720353647.db2.gz XNJBTYAONBUBLQ-IRXDYDNUSA-N 1 0 444.979 3.785 20 0 IHADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164727583 720434920 /nfs/dbraw/zinc/43/49/20/720434920.db2.gz DLSZXLFWXDTWLU-QZTJIDSGSA-N 1 0 437.569 3.733 20 0 IHADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833655 720511299 /nfs/dbraw/zinc/51/12/99/720511299.db2.gz DLTDTJZTPMJSPJ-NLWGTHIKSA-N 1 0 445.995 3.794 20 0 IHADRO CSc1nc2sccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835361 720514370 /nfs/dbraw/zinc/51/43/70/720514370.db2.gz KFHADAMNVODOER-SOLBZPMBSA-N 1 0 428.631 3.988 20 0 IHADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c1 ZINC001164836627 720535056 /nfs/dbraw/zinc/53/50/56/720535056.db2.gz KKPMXRRGIMDNEY-QNWVGRARSA-N 1 0 433.556 3.596 20 0 IHADRO COC(=O)c1ccc(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1Cl ZINC001164735807 720543816 /nfs/dbraw/zinc/54/38/16/720543816.db2.gz RQFNXTQLQGFYKQ-CYBMUJFWSA-N 1 0 431.911 3.583 20 0 IHADRO CC(C)(C)N(c1ncnc2c1CN(Cc1ccccc1)CC2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736210 720543933 /nfs/dbraw/zinc/54/39/33/720543933.db2.gz VYVIDRLZJQHVIT-OAQYLSRUSA-N 1 0 435.616 3.551 20 0 IHADRO CC(C)(C)N(c1ncnc2c1CCN(Cc1ccccc1)C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164735801 720544595 /nfs/dbraw/zinc/54/45/95/720544595.db2.gz RMHQABYXGJUWKK-NRFANRHFSA-N 1 0 435.616 3.551 20 0 IHADRO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c21 ZINC001164835346 720554546 /nfs/dbraw/zinc/55/45/46/720554546.db2.gz GVLGIDLNDAYQFC-ZIFCJYIRSA-N 1 0 440.979 3.866 20 0 IHADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837319 720556571 /nfs/dbraw/zinc/55/65/71/720556571.db2.gz LQIBCIQXNQZJOG-CMKODMSKSA-N 1 0 445.995 3.794 20 0 IHADRO Cc1nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(Cl)c1C ZINC001164834253 720566166 /nfs/dbraw/zinc/56/61/66/720566166.db2.gz DAQLWVDBHQTYDZ-FGTMMUONSA-N 1 0 438.954 3.866 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)COc3cccc(Cl)n3)CC[C@@H]21 ZINC001164839144 720566810 /nfs/dbraw/zinc/56/68/10/720566810.db2.gz PPOHMWNFQKBIKE-SQNIBIBYSA-N 1 0 439.938 3.777 20 0 IHADRO Clc1ncc(OCc2ccccc2)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164728000 720566960 /nfs/dbraw/zinc/56/69/60/720566960.db2.gz HEVFNIARXHMUOC-UHFFFAOYSA-N 1 0 438.963 3.564 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842533 720578385 /nfs/dbraw/zinc/57/83/85/720578385.db2.gz YCRJUNFMKTYECC-FGTMMUONSA-N 1 0 442.999 3.635 20 0 IHADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164736698 720580483 /nfs/dbraw/zinc/58/04/83/720580483.db2.gz RBTJKEVZHIECFQ-UHFFFAOYSA-N 1 0 442.926 3.916 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)CC[C@@H]21 ZINC001164836845 720583752 /nfs/dbraw/zinc/58/37/52/720583752.db2.gz HBELHDOFBYRTOA-GPXNEJASSA-N 1 0 428.584 3.817 20 0 IHADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164736762 720584363 /nfs/dbraw/zinc/58/43/63/720584363.db2.gz SVONGEPOXBFRAP-UHFFFAOYSA-N 1 0 431.569 3.608 20 0 IHADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164835593 720600667 /nfs/dbraw/zinc/60/06/67/720600667.db2.gz BOFPWTZTECAJPO-YZUZCNPQSA-N 1 0 432.572 3.727 20 0 IHADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cc1 ZINC001164835594 720600821 /nfs/dbraw/zinc/60/08/21/720600821.db2.gz BOFPWTZTECAJPO-ZFGGDYGUSA-N 1 0 432.572 3.727 20 0 IHADRO COc1cccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c1 ZINC001164837764 720605058 /nfs/dbraw/zinc/60/50/58/720605058.db2.gz JHTHEPOMPZBRNR-PQNGQFLHSA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843755 720650600 /nfs/dbraw/zinc/65/06/00/720650600.db2.gz XOSMBKCGBVCUSU-PLMTUMEDSA-N 1 0 433.535 3.825 20 0 IHADRO 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c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccc4ncccc42)C3)c1 ZINC001164754822 720875689 /nfs/dbraw/zinc/87/56/89/720875689.db2.gz STPAUQLJUYOODK-BKMJKUGQSA-N 1 0 429.568 3.780 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc4scc(-c5cccs5)c43)CC[C@@H]2C1 ZINC001164865268 720876233 /nfs/dbraw/zinc/87/62/33/720876233.db2.gz ZKLQZHGLJQGLKB-SJLPKXTDSA-N 1 0 444.626 3.902 20 0 IHADRO COc1cc(Cl)ncc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758213 720882832 /nfs/dbraw/zinc/88/28/32/720882832.db2.gz XVIGREDGBPSYOX-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO Cc1nc(C)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)n1 ZINC001164749473 720885329 /nfs/dbraw/zinc/88/53/29/720885329.db2.gz ACJDCWOARVBPSI-QPPBQGQZSA-N 1 0 442.007 3.897 20 0 IHADRO c1coc(-c2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cn2)c1 ZINC001164750473 720885636 /nfs/dbraw/zinc/88/56/36/720885636.db2.gz BHNMLLQBYHDRTE-ATIYNZHBSA-N 1 0 445.567 3.887 20 0 IHADRO 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COc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754908 720891329 /nfs/dbraw/zinc/89/13/29/720891329.db2.gz JMKBKENSROTPFJ-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO Fc1ccc2cnnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755590 720893257 /nfs/dbraw/zinc/89/32/57/720893257.db2.gz MATVFZBOIQMKDT-GJZUVCINSA-N 1 0 447.558 3.919 20 0 IHADRO Fc1cccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164758445 720893734 /nfs/dbraw/zinc/89/37/34/720893734.db2.gz YDPCZOAMQRTJMQ-QFQXNSOFSA-N 1 0 447.558 3.919 20 0 IHADRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164757466 720899834 /nfs/dbraw/zinc/89/98/34/720899834.db2.gz VBRZRJPADHDFPX-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO Fc1cnc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164756293 720903061 /nfs/dbraw/zinc/90/30/61/720903061.db2.gz PIYLMVJEJWGGSA-QFQXNSOFSA-N 1 0 447.558 3.919 20 0 IHADRO 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COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863443 720951025 /nfs/dbraw/zinc/95/10/25/720951025.db2.gz ZYVCDTZNQVGVNX-CYBMUJFWSA-N 1 0 441.910 3.684 20 0 IHADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(-c3ccccc3)c3ccccc3n1)CC2 ZINC001164754114 720962805 /nfs/dbraw/zinc/96/28/05/720962805.db2.gz LLXSPZCTIQYOLD-UHFFFAOYSA-N 1 0 441.535 3.744 20 0 IHADRO COC(=O)C[C@H](c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1)C1CC1 ZINC001164861882 720997417 /nfs/dbraw/zinc/99/74/17/720997417.db2.gz RADBPVQSCAXRKY-UTKZUKDTSA-N 1 0 425.577 3.756 20 0 IHADRO COc1ccc(OC)c(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nn2)c1 ZINC001164860350 721010059 /nfs/dbraw/zinc/01/00/59/721010059.db2.gz LLYZPJCVPHIGEI-QGZVFWFLSA-N 1 0 436.560 3.779 20 0 IHADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2[N@@H+](C(C)(C)c2ccnc(Cl)c2)C1 ZINC001164757009 721017713 /nfs/dbraw/zinc/01/77/13/721017713.db2.gz CILRSCSJHALRMJ-LSTHTHJFSA-N 1 0 428.964 3.503 20 0 IHADRO 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Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164774107 721093460 /nfs/dbraw/zinc/09/34/60/721093460.db2.gz YVLBIWIMENVDRA-HOTGVXAUSA-N 1 0 432.906 3.520 20 0 IHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866974 721108341 /nfs/dbraw/zinc/10/83/41/721108341.db2.gz WBGMVNWVZCUKMT-DLBZAZTESA-N 1 0 445.901 3.703 20 0 IHADRO Clc1cc(Cc2ccccc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866180 721121053 /nfs/dbraw/zinc/12/10/53/721121053.db2.gz RQWZKYPDXUBWMG-VXKWHMMOSA-N 1 0 435.959 3.596 20 0 IHADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877629 721182647 /nfs/dbraw/zinc/18/26/47/721182647.db2.gz PHCLYMAJELBOKU-CABCVRRESA-N 1 0 445.297 3.688 20 0 IHADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164877630 721182746 /nfs/dbraw/zinc/18/27/46/721182746.db2.gz PHCLYMAJELBOKU-GJZGRUSLSA-N 1 0 445.297 3.688 20 0 IHADRO Clc1ncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Oc2ccccc2)n1 ZINC001164881177 721185406 /nfs/dbraw/zinc/18/54/06/721185406.db2.gz ZMXCQZUKEFKPIW-UYAOXDASSA-N 1 0 437.931 3.797 20 0 IHADRO COC[C@H]1CC2(CN1C(=O)c1cccn1C)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164870061 721224920 /nfs/dbraw/zinc/22/49/20/721224920.db2.gz DZANJFMNVHUPFX-LJQANCHMSA-N 1 0 445.007 3.952 20 0 IHADRO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766503 721249191 /nfs/dbraw/zinc/24/91/91/721249191.db2.gz UPDHMZOTGNDDOI-NVXWUHKLSA-N 1 0 429.927 3.728 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@H]3C2)nc1 ZINC001164883769 721352662 /nfs/dbraw/zinc/35/26/62/721352662.db2.gz LSZWLPZGBPNOKS-VXNXHJTFSA-N 1 0 434.584 3.606 20 0 IHADRO COc1cccc2c1ccnc2N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164785278 721368966 /nfs/dbraw/zinc/36/89/66/721368966.db2.gz SXHCCYNUYAJQCK-RUZDIDTESA-N 1 0 436.556 3.967 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(COC4CCC4)cn3)C2)C1 ZINC001164787737 721371699 /nfs/dbraw/zinc/37/16/99/721371699.db2.gz ZOXQPWYAWQKSEP-VWLOTQADSA-N 1 0 440.588 3.875 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C4CC4)nc4[nH]ccc43)C2)C1 ZINC001164786121 721375050 /nfs/dbraw/zinc/37/50/50/721375050.db2.gz SQQOQICXSSTIQF-DEOSSOPVSA-N 1 0 436.560 3.559 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)O2)CC1 ZINC001164892815 721384321 /nfs/dbraw/zinc/38/43/21/721384321.db2.gz STWUITKLWMYLNL-LPHOPBHVSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890535 721387749 /nfs/dbraw/zinc/38/77/49/721387749.db2.gz NYUSAMKXMNBXEL-DNVCBOLYSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4c(Cl)cc(Cl)nc4Cl)C3)O2)CC1 ZINC001164889188 721396519 /nfs/dbraw/zinc/39/65/19/721396519.db2.gz KQPRPFGTFRAUPN-KUHUBIRLSA-N 1 0 433.811 3.807 20 0 IHADRO Cc1ccc(F)c2cc(C)c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc12 ZINC001164891976 721421138 /nfs/dbraw/zinc/42/11/38/721421138.db2.gz XMMIKNWVBJNSLM-CJFMBICVSA-N 1 0 426.580 3.756 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897715 721430218 /nfs/dbraw/zinc/43/02/18/721430218.db2.gz UNCGACTXXQSEBV-WIOPSUGQSA-N 1 0 427.637 3.598 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890237 721445708 /nfs/dbraw/zinc/44/57/08/721445708.db2.gz CQOYYNQJAKIGAC-JPYJTQIMSA-N 1 0 432.971 3.793 20 0 IHADRO Cc1cccc2cc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164894401 721447784 /nfs/dbraw/zinc/44/77/84/721447784.db2.gz MBDKRDZMOGALGR-HYBUGGRVSA-N 1 0 429.008 3.962 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3sc(C)cc31)CC2 ZINC001164788643 721448588 /nfs/dbraw/zinc/44/85/88/721448588.db2.gz RYEICIDKLOLSHL-IBGZPJMESA-N 1 0 430.618 3.734 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)Sc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164886543 721451234 /nfs/dbraw/zinc/45/12/34/721451234.db2.gz HCIUANZLYSQYKS-VQIMIIECSA-N 1 0 446.995 3.638 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164783448 721452480 /nfs/dbraw/zinc/45/24/80/721452480.db2.gz BTICHIBPHZJZDO-IBGZPJMESA-N 1 0 435.012 3.741 20 0 IHADRO C[NH+]1CCN(c2ccc(N3CCC4(CCc5ccc(-c6ccoc6)cc54)CC3)nn2)CC1 ZINC001164886580 721454114 /nfs/dbraw/zinc/45/41/14/721454114.db2.gz HQDHOUKBQBMDIN-UHFFFAOYSA-N 1 0 429.568 3.973 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886470 721454134 /nfs/dbraw/zinc/45/41/34/721454134.db2.gz GRHRCXWITMVOAM-RDPSFJRHSA-N 1 0 445.007 3.662 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(SC(C)C)nn1)CC2 ZINC001164789519 721469427 /nfs/dbraw/zinc/46/94/27/721469427.db2.gz NMCFZQIMUVUROT-HXUWFJFHSA-N 1 0 434.650 3.711 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)CC[N@@H+]3C2)c1 ZINC001164899961 721512034 /nfs/dbraw/zinc/51/20/34/721512034.db2.gz MPCCEXYVUOQFCA-GXTWGEPZSA-N 1 0 433.261 3.809 20 0 IHADRO O=C(NC1CCCCC1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900098 721515459 /nfs/dbraw/zinc/51/54/59/721515459.db2.gz OAOPAOQQPUSGSF-IRLDBZIGSA-N 1 0 438.547 3.625 20 0 IHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2c(Cl)ccc4ccc(Cl)nc42)CC3)CC1 ZINC001164795321 721522056 /nfs/dbraw/zinc/52/20/56/721522056.db2.gz MLBGQYDYECNSHU-UHFFFAOYSA-N 1 0 431.371 3.506 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164911942 721539502 /nfs/dbraw/zinc/53/95/02/721539502.db2.gz XPLRLEUPOJAHAH-FPOVZHCZSA-N 1 0 430.955 3.812 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164911940 721540226 /nfs/dbraw/zinc/54/02/26/721540226.db2.gz XPLRLEUPOJAHAH-CTNGQTDRSA-N 1 0 430.955 3.812 20 0 IHADRO COc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164907298 721545856 /nfs/dbraw/zinc/54/58/56/721545856.db2.gz MWFPAXJNOMEYRC-XMSQKQJNSA-N 1 0 436.487 3.759 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC[N@@H+]3C2)c1 ZINC001164907372 721548834 /nfs/dbraw/zinc/54/88/34/721548834.db2.gz NFAVOVRKWLUPQC-WBVHZDCISA-N 1 0 449.864 3.704 20 0 IHADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2ccccc21 ZINC001164803682 721552782 /nfs/dbraw/zinc/55/27/82/721552782.db2.gz ISMRPAGDCXWNMB-GIFXNVAJSA-N 1 0 446.551 3.675 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC[N@@H+]3C2)c1 ZINC001164911098 721555223 /nfs/dbraw/zinc/55/52/23/721555223.db2.gz YKBGASAESNVBAJ-ZBFHGGJFSA-N 1 0 438.881 3.645 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164799713 721572175 /nfs/dbraw/zinc/57/21/75/721572175.db2.gz DGHVLGYAKQYWCG-TUNNFDKTSA-N 1 0 448.571 3.692 20 0 IHADRO Fc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164905058 721584111 /nfs/dbraw/zinc/58/41/11/721584111.db2.gz RWDDEHRQRGDJHS-LJQANCHMSA-N 1 0 436.869 3.883 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c32)[C@@H]2CCCO[C@H]12 ZINC001164804083 721591128 /nfs/dbraw/zinc/59/11/28/721591128.db2.gz IGFIQCUGVFXXSQ-SJBKTWHCSA-N 1 0 432.503 3.513 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c32)[C@@H]2CCCO[C@@H]12 ZINC001164804082 721591334 /nfs/dbraw/zinc/59/13/34/721591334.db2.gz IGFIQCUGVFXXSQ-KCZVDYSFSA-N 1 0 432.503 3.513 20 0 IHADRO COC(=O)c1c(C)cc(C)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908453 721702960 /nfs/dbraw/zinc/70/29/60/721702960.db2.gz ZHEIYYUJIRWMFW-JOCHJYFZSA-N 1 0 430.499 3.618 20 0 IHADRO CCOC(=O)c1cc(C)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906816 721705057 /nfs/dbraw/zinc/70/50/57/721705057.db2.gz ONIGCHPKSPBIBB-QFIPXVFZSA-N 1 0 430.499 3.699 20 0 IHADRO CSc1cnc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906585 721707774 /nfs/dbraw/zinc/70/77/74/721707774.db2.gz NBWQWCUQGBYQIW-GOSISDBHSA-N 1 0 425.936 3.985 20 0 IHADRO CSc1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906588 721707971 /nfs/dbraw/zinc/70/79/71/721707971.db2.gz NBWQWCUQGBYQIW-SFHVURJKSA-N 1 0 425.936 3.985 20 0 IHADRO CC(C)(C)NC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906823 721718105 /nfs/dbraw/zinc/71/81/05/721718105.db2.gz ONZDCGREDIHKDX-QHCPKHFHSA-N 1 0 443.542 3.743 20 0 IHADRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccncc2)n1 ZINC001164908082 721723070 /nfs/dbraw/zinc/72/30/70/721723070.db2.gz VHHFDBWETXPXHJ-HSZRJFAPSA-N 1 0 436.510 3.980 20 0 IHADRO C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913077 721731012 /nfs/dbraw/zinc/73/10/12/721731012.db2.gz SFSRCMSPARMSFT-CVDCTZTESA-N 1 0 442.558 3.846 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@H]21 ZINC001165026601 721801996 /nfs/dbraw/zinc/80/19/96/721801996.db2.gz RKOXILBUFVGOHA-AGILITTLSA-N 1 0 433.600 3.840 20 0 IHADRO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025116 721803540 /nfs/dbraw/zinc/80/35/40/721803540.db2.gz NPGLQHFDPVRXFB-QTGUNEKASA-N 1 0 431.540 3.548 20 0 IHADRO Cc1cnc2n1CCN(C)C21CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)CC1 ZINC001164919239 721821493 /nfs/dbraw/zinc/82/14/93/721821493.db2.gz OKKFRKKJLRCLLK-UHFFFAOYSA-N 1 0 430.767 3.644 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164922212 721836880 /nfs/dbraw/zinc/83/68/80/721836880.db2.gz GEVOPJFWTIXSSU-FBLLAGFSSA-N 1 0 436.604 3.683 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(N3CCCCC3)nn2)CC1 ZINC001165018498 721837597 /nfs/dbraw/zinc/83/75/97/721837597.db2.gz ZSSPOENSQRWQOI-UHFFFAOYSA-N 1 0 425.577 3.585 20 0 IHADRO CCOC(=O)c1cc(F)cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165019317 721838928 /nfs/dbraw/zinc/83/89/28/721838928.db2.gz CWZYMARNPSDAFE-UHFFFAOYSA-N 1 0 431.508 3.515 20 0 IHADRO COC(=O)c1nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ccc1Cl ZINC001165021569 721840826 /nfs/dbraw/zinc/84/08/26/721840826.db2.gz OROOEWPZIDQKPA-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3ncsc32)CC1 ZINC001165022984 721841302 /nfs/dbraw/zinc/84/13/02/721841302.db2.gz VCOHKZHFADNNLI-UHFFFAOYSA-N 1 0 433.965 3.858 20 0 IHADRO CCOC(=O)/C=C\c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165022986 721842014 /nfs/dbraw/zinc/84/20/14/721842014.db2.gz VDOYDUMLRBADFT-BENRWUELSA-N 1 0 439.556 3.776 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccnc(N3CCCCC3)n2)CC1 ZINC001165021210 721843362 /nfs/dbraw/zinc/84/33/62/721843362.db2.gz HYRPJLZHZXGNEF-UHFFFAOYSA-N 1 0 425.577 3.585 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164924650 721858879 /nfs/dbraw/zinc/85/88/79/721858879.db2.gz COWXFXDWDPTDRJ-HZPDHXFCSA-N 1 0 430.330 3.696 20 0 IHADRO Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c(Cl)nn2)c1 ZINC001164934019 721890173 /nfs/dbraw/zinc/89/01/73/721890173.db2.gz NZUSSBZQCXLNJF-VQTJNVASSA-N 1 0 435.950 3.865 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164933995 721890283 /nfs/dbraw/zinc/89/02/83/721890283.db2.gz NVUTVPVZDUZRMK-RTBURBONSA-N 1 0 439.913 3.696 20 0 IHADRO COC(=O)c1c[nH]c2nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)ccc12 ZINC001164938926 721924401 /nfs/dbraw/zinc/92/44/01/721924401.db2.gz BZSOWPMXVCNMGA-UHFFFAOYSA-N 1 0 434.540 3.529 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(=O)NC(C)(C)C)cn4)CC3)C2)cc1 ZINC001164940531 721926874 /nfs/dbraw/zinc/92/68/74/721926874.db2.gz SRVQJVSHCXSPLE-UHFFFAOYSA-N 1 0 436.600 3.790 20 0 IHADRO CSc1nc2ncnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2s1 ZINC001164939679 721928994 /nfs/dbraw/zinc/92/89/94/721928994.db2.gz OEHXWCPMUUZQDI-UHFFFAOYSA-N 1 0 441.626 3.988 20 0 IHADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953661 722013698 /nfs/dbraw/zinc/01/36/98/722013698.db2.gz FVKHTSZRMVHCME-UHFFFAOYSA-N 1 0 436.938 3.628 20 0 IHADRO c1nc2c(ncnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1-c1ccccc1 ZINC001164962649 722023843 /nfs/dbraw/zinc/02/38/43/722023843.db2.gz QLIREHGWBMUUPR-UHFFFAOYSA-N 1 0 425.540 3.703 20 0 IHADRO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)n1 ZINC001164964782 722027206 /nfs/dbraw/zinc/02/72/06/722027206.db2.gz YJHNEZQJKVTHJC-AOYPEHQESA-N 1 0 436.600 3.973 20 0 IHADRO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)C3)n1 ZINC001164959845 722027469 /nfs/dbraw/zinc/02/74/69/722027469.db2.gz IYTDQPTZBGDZMJ-AZGAKELHSA-N 1 0 436.600 3.972 20 0 IHADRO FC(F)(Oc1cccc(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962338 722054443 /nfs/dbraw/zinc/05/44/43/722054443.db2.gz DCGWYDXHRYATHY-UHFFFAOYSA-N 1 0 438.906 3.674 20 0 IHADRO Clc1nc2c(c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n1)CCCCC2 ZINC001164963982 722055029 /nfs/dbraw/zinc/05/50/29/722055029.db2.gz QGPDLNXOOVEGKD-UHFFFAOYSA-N 1 0 442.007 3.913 20 0 IHADRO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962326 722060495 /nfs/dbraw/zinc/06/04/95/722060495.db2.gz QXGQBISQEPRBIH-UHFFFAOYSA-N 1 0 427.980 3.830 20 0 IHADRO Fc1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981654 722103383 /nfs/dbraw/zinc/10/33/83/722103383.db2.gz LUTLSHCEIPORJU-OXJNMPFZSA-N 1 0 427.911 3.545 20 0 IHADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974082 722115533 /nfs/dbraw/zinc/11/55/33/722115533.db2.gz ILADKVDEGPLJTI-DOTOQJQBSA-N 1 0 426.870 3.541 20 0 IHADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c23)C1 ZINC001164978208 722115577 /nfs/dbraw/zinc/11/55/77/722115577.db2.gz NVSOQPZQFJSOOP-QFUCXCTJSA-N 1 0 449.624 3.938 20 0 IHADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972424 722116518 /nfs/dbraw/zinc/11/65/18/722116518.db2.gz FEOQEWWLGSNNIM-MAUKXSAKSA-N 1 0 426.870 3.541 20 0 IHADRO Clc1cccc(-c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164983235 722119289 /nfs/dbraw/zinc/11/92/89/722119289.db2.gz YRMBKHAGSYDUTJ-DENIHFKCSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1ccccc1-c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973461 722129822 /nfs/dbraw/zinc/12/98/22/722129822.db2.gz CJBOHHNPADFRCT-WMZHIEFXSA-N 1 0 435.959 3.919 20 0 IHADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982198 722135789 /nfs/dbraw/zinc/13/57/89/722135789.db2.gz RIMKNBJCUFJTFL-OXQOHEQNSA-N 1 0 427.911 3.545 20 0 IHADRO Clc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)n1 ZINC001164982271 722147519 /nfs/dbraw/zinc/14/75/19/722147519.db2.gz RLQJBLPANDMYBG-RTWAWAEBSA-N 1 0 435.959 3.919 20 0 IHADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164973181 722149526 /nfs/dbraw/zinc/14/95/26/722149526.db2.gz BIZWWDOPEXKWFK-VWNXMTODSA-N 1 0 444.583 3.757 20 0 IHADRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccccc1F ZINC001164971583 722154518 /nfs/dbraw/zinc/15/45/18/722154518.db2.gz BXHSKBXQOMAWTQ-OFNKIYASSA-N 1 0 433.531 3.713 20 0 IHADRO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998787 722213636 /nfs/dbraw/zinc/21/36/36/722213636.db2.gz XUSRUIZYKYAOHZ-JOCHJYFZSA-N 1 0 431.943 3.654 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165001414 722250010 /nfs/dbraw/zinc/25/00/10/722250010.db2.gz QBLLORIIRXFFNR-OFVILXPXSA-N 1 0 438.572 3.733 20 0 IHADRO C[C@@H]1CCc2c(sc3ncnc(N4CCCn5cnc(COCC[NH+](C)C)c5C4)c23)C1 ZINC001165002172 722253309 /nfs/dbraw/zinc/25/33/09/722253309.db2.gz KPELPTVBLYAFJP-MRXNPFEDSA-N 1 0 440.617 3.501 20 0 IHADRO OC[C@]1([NH2+]Cc2cnn(Cc3ccccc3)c2)CCc2cc(Br)ccc2C1 ZINC001196104843 1126153591 /nfs/dbraw/zinc/15/35/91/1126153591.db2.gz QAKBREIXHIIJOB-QFIPXVFZSA-N 1 0 426.358 3.704 20 0 IHADRO CCc1cc2c(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cc(=O)oc2cc1O ZINC001198219970 1126155044 /nfs/dbraw/zinc/15/50/44/1126155044.db2.gz USBVNQDEJAXLDH-JOCHJYFZSA-N 1 0 446.341 3.907 20 0 IHADRO Cc1sc2nc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)nc(N)c2c1C ZINC001307928583 1126161998 /nfs/dbraw/zinc/16/19/98/1126161998.db2.gz NGNKWMDJVPSYOB-HXUWFJFHSA-N 1 0 447.402 3.662 20 0 IHADRO Cn1cc(-c2ccc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)s2)cn1 ZINC001308465406 1126166050 /nfs/dbraw/zinc/16/60/50/1126166050.db2.gz WPGDVSQNNWKSLX-FQEVSTJZSA-N 1 0 432.387 3.921 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3ccc(Br)cc3o2)cc1OC ZINC001460869840 1126193097 /nfs/dbraw/zinc/19/30/97/1126193097.db2.gz OLKRXCAHDIGJTD-HXUWFJFHSA-N 1 0 435.318 3.691 20 0 IHADRO Cc1c(Br)cncc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001461673954 1126196463 /nfs/dbraw/zinc/19/64/63/1126196463.db2.gz YVQWLEILSJVRSV-KRWDZBQOSA-N 1 0 428.168 3.998 20 0 IHADRO Cc1c(Br)cncc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001461673956 1126196471 /nfs/dbraw/zinc/19/64/71/1126196471.db2.gz YVQWLEILSJVRSV-QGZVFWFLSA-N 1 0 428.168 3.998 20 0 IHADRO OC[C@]1([NH2+]Cc2ccc(OCC(F)(F)F)nc2)CCc2cc(Br)ccc2C1 ZINC001559998125 1126207282 /nfs/dbraw/zinc/20/72/82/1126207282.db2.gz RWTDNQVWLLIBLZ-SFHVURJKSA-N 1 0 445.279 3.795 20 0 IHADRO O=C(OCc1ccccc1)c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c[nH]1 ZINC001560330071 1126209967 /nfs/dbraw/zinc/20/99/67/1126209967.db2.gz BZFBEVPERKRGOM-PZJWPPBQSA-N 1 0 432.442 3.996 20 0 IHADRO C[C@@H]1CN(C(=O)c2cc3c(C(=O)OC(C)(C)C)ncn3c3ccc(Cl)cc23)C[C@H](C)[NH2+]1 ZINC000003823484 569587510 /nfs/dbraw/zinc/58/75/10/569587510.db2.gz JOJRKTAQXYPHBT-OKILXGFUSA-N 1 0 442.947 3.919 20 0 IHADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164389145 718826722 /nfs/dbraw/zinc/82/67/22/718826722.db2.gz GVUFBUZYEQNDMZ-ZBFHGGJFSA-N 1 0 448.823 3.928 20 0 IHADRO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416462 718885709 /nfs/dbraw/zinc/88/57/09/718885709.db2.gz WXXLRGIUSMWURB-UHFFFAOYSA-N 1 0 446.889 3.517 20 0 IHADRO Brc1cccc2c([C@H]3CN(c4ncccc4C[NH+]4CCCC4)CCO3)ncn21 ZINC001164418028 718891182 /nfs/dbraw/zinc/89/11/82/718891182.db2.gz NCPSDNBELQGVPX-GOSISDBHSA-N 1 0 442.361 3.666 20 0 IHADRO Cc1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164424294 718919764 /nfs/dbraw/zinc/91/97/64/718919764.db2.gz MVWTZKOIVGAWLS-OAQYLSRUSA-N 1 0 437.918 3.841 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164617490 719007423 /nfs/dbraw/zinc/00/74/23/719007423.db2.gz OJNWNPWVMVFNFH-KUHUBIRLSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164617196 719008628 /nfs/dbraw/zinc/00/86/28/719008628.db2.gz MZJKRPGSDBFNME-KXBFYZLASA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164620121 719019256 /nfs/dbraw/zinc/01/92/56/719019256.db2.gz XQTIMASWFJKYAX-COXVUDFISA-N 1 0 437.874 3.557 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(Oc4cccc(F)c4)n3)CC2)CC1 ZINC001164618390 719029864 /nfs/dbraw/zinc/02/98/64/719029864.db2.gz VUQZTKOSJDSSIW-UHFFFAOYSA-N 1 0 428.508 3.652 20 0 IHADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164619338 719049207 /nfs/dbraw/zinc/04/92/07/719049207.db2.gz CRFCVXXPJNAOIV-UZLBHIALSA-N 1 0 436.890 3.955 20 0 IHADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624938 719083876 /nfs/dbraw/zinc/08/38/76/719083876.db2.gz MBXNIYTUALUDDL-MSOLQXFVSA-N 1 0 448.398 3.721 20 0 IHADRO CCOC(=O)c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C(=O)OCC ZINC001164621626 719114747 /nfs/dbraw/zinc/11/47/47/719114747.db2.gz AJGDCPDXRUMBDX-PZJWPPBQSA-N 1 0 437.540 3.536 20 0 IHADRO c1cncc(OCc2nn(CC3CC3)c3c2CN(c2ncccc2C[NH+]2CCCC2)CC3)c1 ZINC001164656288 719323395 /nfs/dbraw/zinc/32/33/95/719323395.db2.gz WBLPPFVVWOYVRZ-UHFFFAOYSA-N 1 0 444.583 3.821 20 0 IHADRO CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)n1 ZINC001164659289 719344839 /nfs/dbraw/zinc/34/48/39/719344839.db2.gz BCUNZLALESHZTH-UHFFFAOYSA-N 1 0 445.615 3.936 20 0 IHADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164667494 719441184 /nfs/dbraw/zinc/44/11/84/719441184.db2.gz HCTIQJBVLWJNFJ-WOJBJXKFSA-N 1 0 429.549 3.940 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4occc43)CC2)c2ccccc21 ZINC001164682906 719655431 /nfs/dbraw/zinc/65/54/31/719655431.db2.gz UAQFLBDDORWLLM-IBGZPJMESA-N 1 0 432.568 3.921 20 0 IHADRO CC(C)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164681396 719664679 /nfs/dbraw/zinc/66/46/79/719664679.db2.gz NOWHEKAZRDCTHI-FQEVSTJZSA-N 1 0 435.616 3.693 20 0 IHADRO CCCc1nccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686716 719682484 /nfs/dbraw/zinc/68/24/84/719682484.db2.gz PLJMHGYRJXGYDR-HXUWFJFHSA-N 1 0 435.616 3.523 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164689860 719736687 /nfs/dbraw/zinc/73/66/87/719736687.db2.gz MLKDCAYZDVHZHM-UHFFFAOYSA-N 1 0 441.737 3.768 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3Cl)nc(C)c1C)CC2 ZINC001164689874 719746726 /nfs/dbraw/zinc/74/67/26/719746726.db2.gz NCFIUIQYDFGPEV-UHFFFAOYSA-N 1 0 427.980 3.595 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001164690269 719750606 /nfs/dbraw/zinc/75/06/06/719750606.db2.gz XVHWNUOCDRRUEF-UHFFFAOYSA-N 1 0 449.933 3.523 20 0 IHADRO CCOC(=O)c1cnc(CC)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692222 719815689 /nfs/dbraw/zinc/81/56/89/719815689.db2.gz ORRNPISVYQCVPT-UHFFFAOYSA-N 1 0 429.590 3.616 20 0 IHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cnc(OCc5ccccc5)cn4)CC3)C2)c1 ZINC001164698259 719896184 /nfs/dbraw/zinc/89/61/84/719896184.db2.gz QLAKEZOXIKHYTN-UHFFFAOYSA-N 1 0 436.581 3.989 20 0 IHADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1Cl ZINC001164810387 720091450 /nfs/dbraw/zinc/09/14/50/720091450.db2.gz LKFLRHIBODARRX-VFNWGFHPSA-N 1 0 442.387 3.750 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164718608 720107804 /nfs/dbraw/zinc/10/78/04/720107804.db2.gz TWJUNUXSWYPRDP-GHTZIAJQSA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ccn3C)CC2 ZINC001164718020 720111130 /nfs/dbraw/zinc/11/11/30/720111130.db2.gz QGBZOOYBNGSVRJ-GOSISDBHSA-N 1 0 440.979 3.524 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164716982 720120925 /nfs/dbraw/zinc/12/09/25/720120925.db2.gz MUMBRJRFZYBITI-IBGZPJMESA-N 1 0 427.980 3.910 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164807956 720121950 /nfs/dbraw/zinc/12/19/50/720121950.db2.gz DASBNKVSPCFUOK-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cc(OC)ccc3n1)CC2 ZINC001164715494 720121890 /nfs/dbraw/zinc/12/18/90/720121890.db2.gz GKKFCUVSULLEER-NRFANRHFSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164807958 720122014 /nfs/dbraw/zinc/12/20/14/720122014.db2.gz DASBNKVSPCFUOK-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816430 720124398 /nfs/dbraw/zinc/12/43/98/720124398.db2.gz YSYHSMCSAXKBPB-HFZDXXHNSA-N 1 0 449.574 3.803 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164812394 720180033 /nfs/dbraw/zinc/18/00/33/720180033.db2.gz AFVRQBSBZFWQHH-OFVILXPXSA-N 1 0 425.548 3.984 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164815255 720202484 /nfs/dbraw/zinc/20/24/84/720202484.db2.gz XZYSAUMOCIKSAI-QAPCUYQASA-N 1 0 434.795 3.883 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ncc1-c1ccccc1)CCC2 ZINC001164812905 720223594 /nfs/dbraw/zinc/22/35/94/720223594.db2.gz KENHHQPAEHWXFB-UHFFFAOYSA-N 1 0 438.963 3.604 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc3cc(F)ccc32)CC1 ZINC001164816980 720287914 /nfs/dbraw/zinc/28/79/14/720287914.db2.gz APBPXJDIQYQNGG-WOJBJXKFSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c(Cl)cccc32)CC1 ZINC001164818919 720313717 /nfs/dbraw/zinc/31/37/17/720313717.db2.gz BRJIBNNJXZWNJY-ZWKOTPCHSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc3c(Cl)ccnc32)CC1 ZINC001164832539 720316290 /nfs/dbraw/zinc/31/62/90/720316290.db2.gz UIEJAVSGJJIRTE-QZTJIDSGSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3cc(Cl)ccc32)CC1 ZINC001164824704 720317628 /nfs/dbraw/zinc/31/76/28/720317628.db2.gz CTSYOTCJGIAOJJ-MOPGFXCFSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3cc(Cl)ccc32)CC1 ZINC001164824706 720318080 /nfs/dbraw/zinc/31/80/80/720318080.db2.gz CTSYOTCJGIAOJJ-OALUTQOASA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(-c3cccc(Cl)n3)n2)CC1 ZINC001164829480 720319263 /nfs/dbraw/zinc/31/92/63/720319263.db2.gz MRQBMCFFSJCTRO-NHCUHLMSSA-N 1 0 439.991 3.709 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828932 720334865 /nfs/dbraw/zinc/33/48/65/720334865.db2.gz KRGPJDQBNSTTOH-MOPGFXCFSA-N 1 0 445.011 3.577 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2OCc2ccccc2)CC1 ZINC001164824183 720336885 /nfs/dbraw/zinc/33/68/85/720336885.db2.gz HFGXBZLDWWSFLK-PKTZIBPZSA-N 1 0 434.584 3.572 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3cccc(Cl)c3)ncn2)CC1 ZINC001164826655 720342540 /nfs/dbraw/zinc/34/25/40/720342540.db2.gz KQHIHQFRUWARPX-FCHUYYIVSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(Cl)nc2-c2ccccc2)CC1 ZINC001164822802 720343830 /nfs/dbraw/zinc/34/38/30/720343830.db2.gz FMYOPDFDYVNDIB-PMACEKPBSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)c3ccc(Cl)cc32)CC1 ZINC001164821537 720348000 /nfs/dbraw/zinc/34/80/00/720348000.db2.gz APHXHBHRUXQCGV-RTBURBONSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(C(F)F)nc3ccc(F)cc32)CC1 ZINC001164826540 720350219 /nfs/dbraw/zinc/35/02/19/720350219.db2.gz KGTXWKHQBZPQKW-OALUTQOASA-N 1 0 447.505 3.618 20 0 IHADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722659 720359214 /nfs/dbraw/zinc/35/92/14/720359214.db2.gz GEXDBJUTIISQED-WOJBJXKFSA-N 1 0 445.958 3.776 20 0 IHADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725903 720376829 /nfs/dbraw/zinc/37/68/29/720376829.db2.gz ODGHPWBHAZKJOO-MOPGFXCFSA-N 1 0 437.931 3.708 20 0 IHADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164725397 720393883 /nfs/dbraw/zinc/39/38/83/720393883.db2.gz NFNHDCMAVNAZSA-XZOQPEGZSA-N 1 0 428.515 3.867 20 0 IHADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164722582 720407079 /nfs/dbraw/zinc/40/70/79/720407079.db2.gz DNRVXJAHPQTPLW-ROUUACIJSA-N 1 0 426.883 3.705 20 0 IHADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164727587 720434210 /nfs/dbraw/zinc/43/42/10/720434210.db2.gz DLSZXLFWXDTWLU-ROUUACIJSA-N 1 0 437.569 3.733 20 0 IHADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164722429 720471769 /nfs/dbraw/zinc/47/17/69/720471769.db2.gz AJVPYPBSQYLKAI-JWQCQUIFSA-N 1 0 429.568 3.941 20 0 IHADRO C[N@H+](Cc1ccc(N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730187 720495279 /nfs/dbraw/zinc/49/52/79/720495279.db2.gz SSORTUNUFNGNSY-CPJSRVTESA-N 1 0 440.563 3.539 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1 ZINC001164832938 720503177 /nfs/dbraw/zinc/50/31/77/720503177.db2.gz CAHPQSYBBKNXHW-OLKYXYMISA-N 1 0 440.632 3.872 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833989 720511057 /nfs/dbraw/zinc/51/10/57/720511057.db2.gz DZMBPEZTBLSFNP-QLFBSQMISA-N 1 0 445.345 3.903 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)C1 ZINC001164729348 720516436 /nfs/dbraw/zinc/51/64/36/720516436.db2.gz MRDWZIJCVKYAIB-GFCCVEGCSA-N 1 0 441.313 3.876 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4cccc(F)c43)CC[C@@H]21 ZINC001164840244 720529555 /nfs/dbraw/zinc/52/95/55/720529555.db2.gz SIZJDVXYAWITNO-GJYPPUQNSA-N 1 0 428.943 3.997 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c(Cl)nc2c1 ZINC001164835828 720531984 /nfs/dbraw/zinc/53/19/84/720531984.db2.gz IBUOTFYYULXPDT-CSODHUTKSA-N 1 0 440.979 3.866 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840671 720542189 /nfs/dbraw/zinc/54/21/89/720542189.db2.gz SMMBVVNLOZTVIK-ZHALLVOQSA-N 1 0 440.979 3.866 20 0 IHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164733118 720544648 /nfs/dbraw/zinc/54/46/48/720544648.db2.gz ATDXRFHVGFWXLD-CYBMUJFWSA-N 1 0 431.911 3.583 20 0 IHADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc2c(Cl)ncnc2c1 ZINC001164735532 720545677 /nfs/dbraw/zinc/54/56/77/720545677.db2.gz PALHNUHUDVDEIC-CQSZACIVSA-N 1 0 425.911 3.739 20 0 IHADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164734167 720556346 /nfs/dbraw/zinc/55/63/46/720556346.db2.gz XBTUXLYMYLRCSI-UHFFFAOYSA-N 1 0 432.906 3.683 20 0 IHADRO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n2)c1 ZINC001164836365 720575407 /nfs/dbraw/zinc/57/54/07/720575407.db2.gz JRQLDPKIRBSADP-MIZPHKNDSA-N 1 0 448.571 3.852 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835157 720582143 /nfs/dbraw/zinc/58/21/43/720582143.db2.gz AEIHOZZGMVIGAS-QLFBSQMISA-N 1 0 442.967 3.538 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(Oc4cccc(F)c4)n3)CC[C@@H]21 ZINC001164838715 720582337 /nfs/dbraw/zinc/58/23/37/720582337.db2.gz KZBVJGMHTOLFDZ-CBQOVEMMSA-N 1 0 436.535 3.982 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(Oc4cccc(F)c4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838717 720583844 /nfs/dbraw/zinc/58/38/44/720583844.db2.gz KZBVJGMHTOLFDZ-RCZSKKKRSA-N 1 0 436.535 3.982 20 0 IHADRO COc1ccc(-c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncn2)cc1 ZINC001164841220 720613372 /nfs/dbraw/zinc/61/33/72/720613372.db2.gz RSYLFYBKQHHYOJ-YZUZCNPQSA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CC[C@@H]21 ZINC001164840805 720640123 /nfs/dbraw/zinc/64/01/23/720640123.db2.gz QUEMCZUFRGQPMV-HBFSDRIKSA-N 1 0 426.565 3.919 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)CC[C@@H]21 ZINC001164835979 720641433 /nfs/dbraw/zinc/64/14/33/720641433.db2.gz DHQLCWGPETZPIL-DYXWJJEUSA-N 1 0 437.979 3.766 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C(N)=S)c4ccsc43)CC[C@@H]21 ZINC001164843190 720649517 /nfs/dbraw/zinc/64/95/17/720649517.db2.gz URYNYTHQRHCIQK-GJYPPUQNSA-N 1 0 440.642 3.505 20 0 IHADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737307 720678493 /nfs/dbraw/zinc/67/84/93/720678493.db2.gz FKFNUQLYUHVCSU-IAGOWNOFSA-N 1 0 431.874 3.565 20 0 IHADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740047 720680374 /nfs/dbraw/zinc/68/03/74/720680374.db2.gz PGPFRTDKXBLREF-IAGOWNOFSA-N 1 0 431.874 3.565 20 0 IHADRO CC1CCN(c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)CC1 ZINC001164836955 720713314 /nfs/dbraw/zinc/71/33/14/720713314.db2.gz CBMGATFRWUZTQB-QHCPKHFHSA-N 1 0 435.616 3.973 20 0 IHADRO C[C@@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncn2)C1 ZINC001164838279 720721453 /nfs/dbraw/zinc/72/14/53/720721453.db2.gz HTTDXJXMSIRJFP-FYYLOGMGSA-N 1 0 435.616 3.973 20 0 IHADRO COc1cc(OC)c2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164839883 720728026 /nfs/dbraw/zinc/72/80/26/720728026.db2.gz NZFMGGQUIPNLOQ-HXUWFJFHSA-N 1 0 448.567 3.907 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164838066 720729148 /nfs/dbraw/zinc/72/91/48/720729148.db2.gz QRVFMUFGVKQRLV-LJQANCHMSA-N 1 0 437.918 3.778 20 0 IHADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843968 720739942 /nfs/dbraw/zinc/73/99/42/720739942.db2.gz NFEYRFBHZILBSP-UHFFFAOYSA-N 1 0 449.893 3.579 20 0 IHADRO Cc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164740468 720756677 /nfs/dbraw/zinc/75/66/77/720756677.db2.gz LJFVQHMIJKJOJZ-LEWJYISDSA-N 1 0 438.535 3.737 20 0 IHADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746733 720802131 /nfs/dbraw/zinc/80/21/31/720802131.db2.gz MWKCPVUMLXXPRJ-LSDHHAIUSA-N 1 0 431.874 3.607 20 0 IHADRO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164743342 720825698 /nfs/dbraw/zinc/82/56/98/720825698.db2.gz SIFLNMVXJWZPOX-BBTUJRGHSA-N 1 0 437.979 3.563 20 0 IHADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739824 720829398 /nfs/dbraw/zinc/82/93/98/720829398.db2.gz IXEKTAMEOKVLLK-ZHALLVOQSA-N 1 0 436.938 3.559 20 0 IHADRO Clc1cccc(-c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)n1 ZINC001164738427 720829765 /nfs/dbraw/zinc/82/97/65/720829765.db2.gz FRIZKILCJJNCPZ-CNNODRBYSA-N 1 0 449.990 3.768 20 0 IHADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164741274 720831966 /nfs/dbraw/zinc/83/19/66/720831966.db2.gz DWLPURATVGOJAE-KJXAQDMKSA-N 1 0 446.603 3.517 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743858 720857875 /nfs/dbraw/zinc/85/78/75/720857875.db2.gz AHHSXJGGQFLVTK-MZLICYQSSA-N 1 0 447.562 3.562 20 0 IHADRO Fc1cccc2c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164745492 720858622 /nfs/dbraw/zinc/85/86/22/720858622.db2.gz DUHIUHBFLYLRSJ-ABSDTBQOSA-N 1 0 440.954 3.998 20 0 IHADRO Clc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C2CC2)n1 ZINC001164753027 720859069 /nfs/dbraw/zinc/85/90/69/720859069.db2.gz VGDLKCFGHZPTMF-GVDBMIGSSA-N 1 0 448.402 3.632 20 0 IHADRO Clc1cc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164751672 720873192 /nfs/dbraw/zinc/87/31/92/720873192.db2.gz LVBVMHWWOKLVPA-PGRDOPGGSA-N 1 0 448.398 3.934 20 0 IHADRO CCc1ncnc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748481 720875048 /nfs/dbraw/zinc/87/50/48/720875048.db2.gz FHLCMQRGPPRMER-YKSBVNFPSA-N 1 0 442.007 3.843 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC[C@H]2C1 ZINC001164861643 720881798 /nfs/dbraw/zinc/88/17/98/720881798.db2.gz PWHLKAMDILYOCM-AZGAKELHSA-N 1 0 444.579 3.984 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncnc4c2CCCC4)C3)c1 ZINC001164756279 720885509 /nfs/dbraw/zinc/88/55/09/720885509.db2.gz PBDDNIGDCVRPQS-ATIYNZHBSA-N 1 0 433.600 3.506 20 0 IHADRO COc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753203 720886416 /nfs/dbraw/zinc/88/64/16/720886416.db2.gz GCYLNCYKYCLMJD-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4cccnc4n2)C3)c1 ZINC001164756927 720887050 /nfs/dbraw/zinc/88/70/50/720887050.db2.gz SGTPERRTHYFANI-JYFHCDHNSA-N 1 0 429.568 3.780 20 0 IHADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164863674 720889754 /nfs/dbraw/zinc/88/97/54/720889754.db2.gz TYUCYJBBJPKUKF-WIYYLYMNSA-N 1 0 446.979 3.658 20 0 IHADRO CSc1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754957 720889838 /nfs/dbraw/zinc/88/98/38/720889838.db2.gz JXQPKTFTCCMPEE-ZJSXRUAMSA-N 1 0 439.629 3.657 20 0 IHADRO Cc1nc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164757458 720891361 /nfs/dbraw/zinc/89/13/61/720891361.db2.gz UZQKPJVFSRAGDN-ZJSXRUAMSA-N 1 0 442.007 3.897 20 0 IHADRO CCCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)n1 ZINC001164756853 720897371 /nfs/dbraw/zinc/89/73/71/720897371.db2.gz RQJAXMKQFKKOTB-OZXSUGGESA-N 1 0 435.616 3.888 20 0 IHADRO C[C@@H]1CCc2nnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2C1 ZINC001164754231 720928326 /nfs/dbraw/zinc/92/83/26/720928326.db2.gz UVXOPIFHQXINEY-WMVAVLGLSA-N 1 0 447.627 3.752 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)[C@H]2C ZINC001164862444 720975286 /nfs/dbraw/zinc/97/52/86/720975286.db2.gz SNEHUVWFNVRVIX-ZDUSSCGKSA-N 1 0 435.910 3.841 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)C[C@H]3C2)cn1 ZINC001164771600 721081698 /nfs/dbraw/zinc/08/16/98/721081698.db2.gz SGGNPMPLCOWENM-JKSUJKDBSA-N 1 0 432.906 3.520 20 0 IHADRO Clc1cc2c(Cl)ccnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865182 721083694 /nfs/dbraw/zinc/08/36/94/721083694.db2.gz JLCFOWLQEXYGRA-CVEARBPZSA-N 1 0 430.339 3.811 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164878502 721162545 /nfs/dbraw/zinc/16/25/45/721162545.db2.gz QHRRXRYWPKZLIJ-RTBURBONSA-N 1 0 439.922 3.811 20 0 IHADRO CSc1ccc(Oc2cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)ncn2)cc1 ZINC001164768693 721178278 /nfs/dbraw/zinc/17/82/78/721178278.db2.gz LOQBZSXKRLMVTP-OALUTQOASA-N 1 0 436.585 3.683 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164763287 721239919 /nfs/dbraw/zinc/23/99/19/721239919.db2.gz NDYPMLJZLYKKDO-KGLIPLIRSA-N 1 0 432.302 3.505 20 0 IHADRO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164770253 721292779 /nfs/dbraw/zinc/29/27/79/721292779.db2.gz QNDGGLMQQRXGJT-UHFFFAOYSA-N 1 0 434.968 3.788 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4sccc43)C2)C1 ZINC001164777009 721330124 /nfs/dbraw/zinc/33/01/24/721330124.db2.gz JXPULHAGIYXWDG-QFIPXVFZSA-N 1 0 427.574 3.724 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4sccc43)C2)C1 ZINC001164777008 721331038 /nfs/dbraw/zinc/33/10/38/721331038.db2.gz JXPULHAGIYXWDG-JOCHJYFZSA-N 1 0 427.574 3.724 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4[nH]ccc43)C2)C1 ZINC001164779094 721340727 /nfs/dbraw/zinc/34/07/27/721340727.db2.gz QUDAEZDYWWIJEV-JOCHJYFZSA-N 1 0 429.952 3.940 20 0 IHADRO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)ccc2c1 ZINC001164778187 721344714 /nfs/dbraw/zinc/34/47/14/721344714.db2.gz KGXSTDPLWWNDKX-VWLOTQADSA-N 1 0 436.556 3.967 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(C(=O)c4ccccc4)C[C@@H]3C2)nc1 ZINC001164888625 721352596 /nfs/dbraw/zinc/35/25/96/721352596.db2.gz XQHFHOQYMGAILI-SDHSZQHLSA-N 1 0 448.611 3.996 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccoc43)C2)C1 ZINC001164787006 721359700 /nfs/dbraw/zinc/35/97/00/721359700.db2.gz WVEGGUJTZCZXNE-NRFANRHFSA-N 1 0 431.924 3.600 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)C3)O2)CC1 ZINC001164888556 721389504 /nfs/dbraw/zinc/38/95/04/721389504.db2.gz KBWADQRUUPNJKA-ZJSXRUAMSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4-c4ccccc4)C3)O2)CC1 ZINC001164893007 721413251 /nfs/dbraw/zinc/41/32/51/721413251.db2.gz ZVKOTZAHXBKDFK-HYBUGGRVSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)C3)O2)CC1 ZINC001164899975 721435039 /nfs/dbraw/zinc/43/50/39/721435039.db2.gz ZRUAUZYNDDLBKE-URXFXBBRSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164897994 721438676 /nfs/dbraw/zinc/43/86/76/721438676.db2.gz VIABOXNUOBDOJI-BKMJKUGQSA-N 1 0 435.616 3.526 20 0 IHADRO CC(C)c1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895759 721441528 /nfs/dbraw/zinc/44/15/28/721441528.db2.gz PGPYQYHZGMLIEI-NLFFAJNJSA-N 1 0 429.653 3.663 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886471 721453949 /nfs/dbraw/zinc/45/39/49/721453949.db2.gz GRHRCXWITMVOAM-YKSBVNFPSA-N 1 0 445.007 3.662 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164783521 721457882 /nfs/dbraw/zinc/45/78/82/721457882.db2.gz DHCGURATNZQHTD-HXUWFJFHSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3scc(C)c3n1)CC2 ZINC001164787858 721464478 /nfs/dbraw/zinc/46/44/78/721464478.db2.gz SRBOXBIJSVCFBF-LJQANCHMSA-N 1 0 430.618 3.734 20 0 IHADRO CNC(=O)N[C@@H]1CC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c2ccc(C)cc21 ZINC001164898839 721492476 /nfs/dbraw/zinc/49/24/76/721492476.db2.gz IIPFPEBDKPINEG-HSZRJFAPSA-N 1 0 433.600 3.898 20 0 IHADRO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795754 721499092 /nfs/dbraw/zinc/49/90/92/721499092.db2.gz LTAMIVFDCJCGGL-UHFFFAOYSA-N 1 0 437.922 3.960 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164911946 721539807 /nfs/dbraw/zinc/53/98/07/721539807.db2.gz XPLRLEUPOJAHAH-TZIWHRDSSA-N 1 0 430.955 3.812 20 0 IHADRO COC(=O)C[C@H](c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1)C1CC1 ZINC001164911270 721550854 /nfs/dbraw/zinc/55/08/54/721550854.db2.gz YMXSYHNTPSTZJM-WWNPGLIZSA-N 1 0 439.531 3.619 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164908654 721561161 /nfs/dbraw/zinc/56/11/61/721561161.db2.gz RKJITXGOXGMAAB-PZJWPPBQSA-N 1 0 431.515 3.508 20 0 IHADRO Cc1nc(C)c(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)s1 ZINC001164903598 721562204 /nfs/dbraw/zinc/56/22/04/721562204.db2.gz CWSXVIKLUDOFCG-IEBWSBKVSA-N 1 0 425.533 3.698 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2F)[C@H]2CCCO[C@@H]12 ZINC001164807505 721582834 /nfs/dbraw/zinc/58/28/34/721582834.db2.gz OHVQEDQUEKKOSE-CZTZKLFOSA-N 1 0 427.911 3.686 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808074 721588104 /nfs/dbraw/zinc/58/81/04/721588104.db2.gz PVAARGCHZQMUPL-DYXWJJEUSA-N 1 0 429.996 3.900 20 0 IHADRO c1nc(COCC2CC2)c2n1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164799041 721599834 /nfs/dbraw/zinc/59/98/34/721599834.db2.gz ILOVDDCINKKVDD-UHFFFAOYSA-N 1 0 429.568 3.783 20 0 IHADRO CCOC(=O)c1cc(C)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908014 721691646 /nfs/dbraw/zinc/69/16/46/721691646.db2.gz YACQGCUHPFRXBC-QFIPXVFZSA-N 1 0 430.499 3.699 20 0 IHADRO CC1(C)OC(=O)c2c1ccnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904963 721700341 /nfs/dbraw/zinc/70/03/41/721700341.db2.gz INEURPAPDDBUCE-QFIPXVFZSA-N 1 0 428.483 3.620 20 0 IHADRO F[C@H](Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907811 721704070 /nfs/dbraw/zinc/70/40/70/721704070.db2.gz UJLLHMRJZFDVFQ-OALUTQOASA-N 1 0 426.870 3.995 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)C[C@H]21 ZINC001165026341 721804747 /nfs/dbraw/zinc/80/47/47/721804747.db2.gz QUPWMBYMEKBIPB-DFQSSKMNSA-N 1 0 438.576 3.956 20 0 IHADRO Cc1cnc2n1CCN(C)C21CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164917466 721814149 /nfs/dbraw/zinc/81/41/49/721814149.db2.gz OVJLFGDWSULYRH-UHFFFAOYSA-N 1 0 442.611 3.586 20 0 IHADRO COc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c(OC)c1 ZINC001165029640 721815058 /nfs/dbraw/zinc/81/50/58/721815058.db2.gz ZWRUZLRXUQQTJM-WEYGHZABSA-N 1 0 433.556 3.779 20 0 IHADRO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH]c-2n1 ZINC001165021662 721818276 /nfs/dbraw/zinc/81/82/76/721818276.db2.gz FUJMDRBWVPEEQT-VCOUNFBDSA-N 1 0 433.556 3.872 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@H]21 ZINC001165019097 721824258 /nfs/dbraw/zinc/82/42/58/721824258.db2.gz AVYRMKNCIKWDPC-NUEKZKHPSA-N 1 0 447.921 3.635 20 0 IHADRO COC(=O)c1c(Cl)ccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023468 721838741 /nfs/dbraw/zinc/83/87/41/721838741.db2.gz YTUGKHZSDNRYIO-UHFFFAOYSA-N 1 0 433.936 3.640 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164926155 721854186 /nfs/dbraw/zinc/85/41/86/721854186.db2.gz HSTLFOWPCVDTIB-CVEARBPZSA-N 1 0 430.330 3.696 20 0 IHADRO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CC[N@@H+]4CCN(C)C)n1)CCCC3 ZINC001164930920 721879704 /nfs/dbraw/zinc/87/97/04/721879704.db2.gz DJMNYONDOZMQFG-DLBZAZTESA-N 1 0 431.675 3.648 20 0 IHADRO C[NH+](C)[C@@H]1CCCN(c2ccc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)C1 ZINC001165034486 721886984 /nfs/dbraw/zinc/88/69/84/721886984.db2.gz GMAGHHYTHUJKIZ-GOSISDBHSA-N 1 0 431.519 3.558 20 0 IHADRO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940978 721927174 /nfs/dbraw/zinc/92/71/74/721927174.db2.gz XRHDBBLCGALFIT-UHFFFAOYSA-N 1 0 429.948 3.701 20 0 IHADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(-c5cccnc5F)n4)CC3)C2)cc1 ZINC001164940199 721928911 /nfs/dbraw/zinc/92/89/11/721928911.db2.gz RNRHRACCJWDKFI-UHFFFAOYSA-N 1 0 433.531 3.858 20 0 IHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCN(CCOc2ccccc2)CC1 ZINC001165046450 721962395 /nfs/dbraw/zinc/96/23/95/721962395.db2.gz MJCZEGBCVMYXNF-UHFFFAOYSA-N 1 0 448.945 3.858 20 0 IHADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCCC[C@@H]2CC[NH+]2CCCC2)cnc1Cl ZINC001165047891 721979466 /nfs/dbraw/zinc/97/94/66/721979466.db2.gz BHSPYOBBNHTDQC-MRXNPFEDSA-N 1 0 435.968 3.918 20 0 IHADRO COC(=O)c1cc2c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)[nH]c(Cl)cc-2n1 ZINC001164955639 722020190 /nfs/dbraw/zinc/02/01/90/722020190.db2.gz LOQNDJNWYYEYCK-UHFFFAOYSA-N 1 0 439.947 3.890 20 0 IHADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2)C1 ZINC001164955653 722021697 /nfs/dbraw/zinc/02/16/97/722021697.db2.gz MCVZFRXUQCACRE-NRFANRHFSA-N 1 0 433.600 3.841 20 0 IHADRO Clc1nnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2sccc21 ZINC001164958104 722054141 /nfs/dbraw/zinc/05/41/41/722054141.db2.gz CKUPJCWYCVOUAR-UHFFFAOYSA-N 1 0 429.977 3.859 20 0 IHADRO COc1cc2cnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc2cc1OC ZINC001164960031 722060462 /nfs/dbraw/zinc/06/04/62/722060462.db2.gz DLPPMEKMJFVHDL-UHFFFAOYSA-N 1 0 448.567 3.766 20 0 IHADRO COc1cc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ccc2c(OC)c1 ZINC001164966627 722062181 /nfs/dbraw/zinc/06/21/81/722062181.db2.gz WBEHGAKGAJKFOR-UHFFFAOYSA-N 1 0 448.567 3.766 20 0 IHADRO c1cc2c(nc(C3CCC3)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH]1 ZINC001164966436 722062405 /nfs/dbraw/zinc/06/24/05/722062405.db2.gz STJHNERHKQNIHY-UHFFFAOYSA-N 1 0 432.572 3.739 20 0 IHADRO Fc1cc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1F ZINC001164972448 722111400 /nfs/dbraw/zinc/11/14/00/722111400.db2.gz FOOIHDUAFFRFNW-MGPUTAFESA-N 1 0 445.901 3.684 20 0 IHADRO Fc1cc2nc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1F ZINC001164972449 722111743 /nfs/dbraw/zinc/11/17/43/722111743.db2.gz FOOIHDUAFFRFNW-QRWLVFNGSA-N 1 0 445.901 3.684 20 0 IHADRO Fc1cccc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979081 722112024 /nfs/dbraw/zinc/11/20/24/722112024.db2.gz OVEZCMFCTBVJKU-LPHOPBHVSA-N 1 0 427.911 3.545 20 0 IHADRO Clc1cccc(-c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164983240 722119036 /nfs/dbraw/zinc/11/90/36/722119036.db2.gz YRMBKHAGSYDUTJ-UGKGYDQZSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164974941 722119375 /nfs/dbraw/zinc/11/93/75/722119375.db2.gz JDCXVOVTFKSODJ-IRLDBZIGSA-N 1 0 435.959 3.919 20 0 IHADRO c1ccc(COc2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164980361 722138973 /nfs/dbraw/zinc/13/89/73/722138973.db2.gz NEWMOPWEBAHPAD-ZCYQVOJMSA-N 1 0 430.552 3.783 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983276 722145656 /nfs/dbraw/zinc/14/56/56/722145656.db2.gz SXGIPLRESGPSRA-WIOPSUGQSA-N 1 0 429.568 3.883 20 0 IHADRO Fc1ccc(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164984206 722146457 /nfs/dbraw/zinc/14/64/57/722146457.db2.gz WJPACMMWSPHWGY-UGKGYDQZSA-N 1 0 435.503 3.530 20 0 IHADRO Fc1ccc(COc2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164983796 722147243 /nfs/dbraw/zinc/14/72/43/722147243.db2.gz UXZKQHOMRKTZCY-RCZVLFRGSA-N 1 0 448.542 3.922 20 0 IHADRO c1ccc(CSc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164985449 722149696 /nfs/dbraw/zinc/14/96/96/722149696.db2.gz ZNJRUWMAGVCANO-DHIUTWEWSA-N 1 0 447.608 3.891 20 0 IHADRO c1ccc(CSc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973345 722151224 /nfs/dbraw/zinc/15/12/24/722151224.db2.gz BTGYXFCQXZILRI-XZOQPEGZSA-N 1 0 447.608 3.891 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971655 722153138 /nfs/dbraw/zinc/15/31/38/722153138.db2.gz CNHGMVMJGSEIKN-VQTJNVASSA-N 1 0 429.996 3.759 20 0 IHADRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccccc1F ZINC001164971581 722154807 /nfs/dbraw/zinc/15/48/07/722154807.db2.gz BXHSKBXQOMAWTQ-NZQKXSOJSA-N 1 0 433.531 3.713 20 0 IHADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975295 722158831 /nfs/dbraw/zinc/15/88/31/722158831.db2.gz RPQGSBXPHICOFZ-DYESRHJHSA-N 1 0 448.945 3.891 20 0 IHADRO CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1=O ZINC001164981809 722163348 /nfs/dbraw/zinc/16/33/48/722163348.db2.gz SFFZFDSTSJSXKS-JOCHJYFZSA-N 1 0 444.913 3.781 20 0 IHADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)CC2 ZINC001164992023 722187710 /nfs/dbraw/zinc/18/77/10/722187710.db2.gz RJAYRBZAFDBUCA-FGZHOGPDSA-N 1 0 428.621 3.730 20 0 IHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998507 722213434 /nfs/dbraw/zinc/21/34/34/722213434.db2.gz WHCBRLLSXUCHBA-IVZQSRNASA-N 1 0 432.927 3.791 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(F)ccc1-c1ccc(Cl)nn1)CCC2 ZINC001165003351 722257230 /nfs/dbraw/zinc/25/72/30/722257230.db2.gz ADQDDBUYGBWHAF-UHFFFAOYSA-N 1 0 444.942 3.621 20 0 IHADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000389754857 1126080255 /nfs/dbraw/zinc/08/02/55/1126080255.db2.gz NMXMWTRXRHRVPD-OAHLLOKOSA-N 1 0 429.152 3.913 20 0 IHADRO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc(Br)c1O ZINC000673811988 1126104926 /nfs/dbraw/zinc/10/49/26/1126104926.db2.gz SPYZVRQJBBEWPZ-PBHICJAKSA-N 1 0 434.252 3.787 20 0 IHADRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc(Br)c1O ZINC000673811991 1126105089 /nfs/dbraw/zinc/10/50/89/1126105089.db2.gz SPYZVRQJBBEWPZ-YOEHRIQHSA-N 1 0 434.252 3.787 20 0 IHADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccccc1I)C(F)(F)F ZINC000734843249 1126106555 /nfs/dbraw/zinc/10/65/55/1126106555.db2.gz IBYYTHQAYXKBGH-HOTGVXAUSA-N 1 0 435.227 3.915 20 0 IHADRO CCOc1c(Br)cc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)cc1OC ZINC001179277870 1126151848 /nfs/dbraw/zinc/15/18/48/1126151848.db2.gz OXGMDNXZJKYZNW-NRFANRHFSA-N 1 0 438.362 3.948 20 0 IHADRO COC(=O)c1ccccc1-c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)o1 ZINC001183684690 1126153353 /nfs/dbraw/zinc/15/33/53/1126153353.db2.gz GMWZPFCWHCLXFD-VWLOTQADSA-N 1 0 439.508 3.834 20 0 IHADRO CCOc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)cc(Br)c1OC ZINC001203581557 1126159043 /nfs/dbraw/zinc/15/90/43/1126159043.db2.gz OSLMOLHLZZOWDY-OAQYLSRUSA-N 1 0 438.362 3.948 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc(-c3ccc(O)c(OC)c3)n2)cc1OC ZINC001473840079 1126200353 /nfs/dbraw/zinc/20/03/53/1126200353.db2.gz PSRNGOXWFIDRMG-QHCPKHFHSA-N 1 0 444.553 3.625 20 0 IHADRO OC[C@]1([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCc2cc(Br)ccc2C1 ZINC001560532824 1126211809 /nfs/dbraw/zinc/21/18/09/1126211809.db2.gz XEBJXVODLMMNEY-FQEVSTJZSA-N 1 0 438.749 3.883 20 0 IHADRO COc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000038309271 563097350 /nfs/dbraw/zinc/09/73/50/563097350.db2.gz WLSUHIWUCZVUGX-QGZVFWFLSA-N 1 0 425.447 3.997 20 0 IHADRO O=C1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164392317 718809972 /nfs/dbraw/zinc/80/99/72/718809972.db2.gz KEDJIXVDSLCVHH-UHFFFAOYSA-N 1 0 441.309 3.659 20 0 IHADRO FC(F)(F)[C@@H]1N(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CCC12CC[NH2+]CC2 ZINC001164388934 718814212 /nfs/dbraw/zinc/81/42/12/718814212.db2.gz RQLNYGOPYOLFMH-CQSZACIVSA-N 1 0 439.860 3.786 20 0 IHADRO O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]12 ZINC001164401430 718859602 /nfs/dbraw/zinc/85/96/02/718859602.db2.gz DMCLLJHPAIFPCF-ROUUACIJSA-N 1 0 430.886 3.829 20 0 IHADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414453 718880089 /nfs/dbraw/zinc/88/00/89/718880089.db2.gz UJSDXHMUVQLEJA-LBPRGKRZSA-N 1 0 427.801 3.720 20 0 IHADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164414956 718885947 /nfs/dbraw/zinc/88/59/47/718885947.db2.gz BKWBZDYFRKLOPW-UHFFFAOYSA-N 1 0 436.919 3.699 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164615721 719007034 /nfs/dbraw/zinc/00/70/34/719007034.db2.gz JQMHVJHOGOCPRP-IFXJQAMLSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164617487 719007507 /nfs/dbraw/zinc/00/75/07/719007507.db2.gz OJNWNPWVMVFNFH-IFXJQAMLSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1C)C2 ZINC001164620933 719008911 /nfs/dbraw/zinc/00/89/11/719008911.db2.gz ZTCAAWJNXUYOLR-UZLBHIALSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)ccc1C)C2 ZINC001164619281 719009203 /nfs/dbraw/zinc/00/92/03/719009203.db2.gz VKFFSIWVJVBAAP-FOIQADDNSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C)cc(Cl)n1)C2 ZINC001164616129 719009503 /nfs/dbraw/zinc/00/95/03/719009503.db2.gz KLIAHOUJCRWHPI-MGPUTAFESA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)CC1 ZINC001164614215 719021644 /nfs/dbraw/zinc/02/16/44/719021644.db2.gz PUMKNMDXXKLHMJ-UHFFFAOYSA-N 1 0 437.318 3.572 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)CC2)CC1 ZINC001164616411 719028514 /nfs/dbraw/zinc/02/85/14/719028514.db2.gz DDLXBYYCABSIEX-UHFFFAOYSA-N 1 0 430.927 3.536 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(Cc4ccccc4)n3)CC2)CC1 ZINC001164617545 719030067 /nfs/dbraw/zinc/03/00/67/719030067.db2.gz OEAOADXQNSEVNG-UHFFFAOYSA-N 1 0 442.991 3.965 20 0 IHADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c(Cl)nn1 ZINC001164620607 719126254 /nfs/dbraw/zinc/12/62/54/719126254.db2.gz IZJWOMUFFZCODC-IUODEOHRSA-N 1 0 426.870 3.864 20 0 IHADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCCC(=O)CC3)c21 ZINC001164650332 719286468 /nfs/dbraw/zinc/28/64/68/719286468.db2.gz YZWZCAFLYNTGTJ-UHFFFAOYSA-N 1 0 439.943 3.956 20 0 IHADRO c1cncc(OCc2nn(CC3CC3)c3c2CN(c2ccc(C[NH+]4CCCC4)cn2)CC3)c1 ZINC001164653339 719323398 /nfs/dbraw/zinc/32/33/98/719323398.db2.gz HNZSXYURCMNZOY-UHFFFAOYSA-N 1 0 444.583 3.821 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)CC3CC3)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164654658 719326387 /nfs/dbraw/zinc/32/63/87/719326387.db2.gz MNQCIVGRCCCSSL-NZCWTCFWSA-N 1 0 440.632 3.919 20 0 IHADRO COc1cc(Oc2ccnc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2)ccc1OCc1ccccc1 ZINC001164674277 719421193 /nfs/dbraw/zinc/42/11/93/719421193.db2.gz VQRQDXBQLQQPKK-RDGATRHJSA-N 1 0 447.535 3.981 20 0 IHADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164670173 719443789 /nfs/dbraw/zinc/44/37/89/719443789.db2.gz NRMHWYUMYSIPGM-UXHICEINSA-N 1 0 429.549 3.940 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4ccccc4nn3)CC2)c2ccccc21 ZINC001164684237 719669081 /nfs/dbraw/zinc/66/90/81/719669081.db2.gz SQHYBIRXIFZOFF-NRFANRHFSA-N 1 0 443.595 3.723 20 0 IHADRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2[nH]ccc21 ZINC001164680020 719673447 /nfs/dbraw/zinc/67/34/47/719673447.db2.gz AXHFGAOOXCQHQY-FQEVSTJZSA-N 1 0 445.611 3.965 20 0 IHADRO CCCc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686847 719674509 /nfs/dbraw/zinc/67/45/09/719674509.db2.gz XVDYCDYFEIRIFI-HXUWFJFHSA-N 1 0 435.616 3.523 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C(C)(C)C)nn3)CC2)c2ccccc21 ZINC001164681090 719677243 /nfs/dbraw/zinc/67/72/43/719677243.db2.gz JLFCJORKKLSDSR-HXUWFJFHSA-N 1 0 449.643 3.868 20 0 IHADRO CCCc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680097 719677326 /nfs/dbraw/zinc/67/73/26/719677326.db2.gz CESVYWKCUGFNIY-FQEVSTJZSA-N 1 0 435.616 3.523 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164683750 719727818 /nfs/dbraw/zinc/72/78/18/719727818.db2.gz FXQYQSHDGAKNIQ-UHFFFAOYSA-N 1 0 449.933 3.523 20 0 IHADRO Fc1cccnc1N(c1nc(Cl)ccc1CN1CCCC1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690745 719761220 /nfs/dbraw/zinc/76/12/20/719761220.db2.gz HTTQRCPUBUOBOB-HTAPYJJXSA-N 1 0 431.943 3.524 20 0 IHADRO COC(=O)c1ccc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164692394 719805372 /nfs/dbraw/zinc/80/53/72/719805372.db2.gz NVTZAYQSXWMFLZ-UHFFFAOYSA-N 1 0 437.569 3.816 20 0 IHADRO COc1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c(OC)c1 ZINC001164697108 719893583 /nfs/dbraw/zinc/89/35/83/719893583.db2.gz JTXCGGPAJZKPRP-UHFFFAOYSA-N 1 0 440.569 3.580 20 0 IHADRO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696229 719895941 /nfs/dbraw/zinc/89/59/41/719895941.db2.gz CTFFLKYNDWZKLG-AATRIKPKSA-N 1 0 427.570 3.509 20 0 IHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)C2)c1 ZINC001164707680 719900491 /nfs/dbraw/zinc/90/04/91/719900491.db2.gz UUMZRQAFFBDTRE-UHFFFAOYSA-N 1 0 447.608 3.960 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164717334 720115379 /nfs/dbraw/zinc/11/53/79/720115379.db2.gz NGFWDUXCIMLNMD-IBGZPJMESA-N 1 0 442.007 3.911 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164718044 720117373 /nfs/dbraw/zinc/11/73/73/720117373.db2.gz QVINMTQAFCHCEB-GHTZIAJQSA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164718570 720117628 /nfs/dbraw/zinc/11/76/28/720117628.db2.gz SLQAGRJHVJVGRS-RXVVDRJESA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3Cc1ccccc1)C2 ZINC001164807331 720126443 /nfs/dbraw/zinc/12/64/43/720126443.db2.gz BXRUXGFHBLCELC-BKMJKUGQSA-N 1 0 431.584 3.664 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164714019 720128173 /nfs/dbraw/zinc/12/81/73/720128173.db2.gz VKXFCZHWZHDQKE-KRWDZBQOSA-N 1 0 427.936 3.779 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)OC(C)C)CC2 ZINC001164711754 720152636 /nfs/dbraw/zinc/15/26/36/720152636.db2.gz JSHACBZPFKBTIN-NRFANRHFSA-N 1 0 438.572 3.549 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164817846 720177299 /nfs/dbraw/zinc/17/72/99/720177299.db2.gz QKMCGVGTBUGGNE-ZEQKJWHPSA-N 1 0 435.568 3.623 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164816369 720189804 /nfs/dbraw/zinc/18/98/04/720189804.db2.gz LDGPTVXSGGBWLV-CYFREDJKSA-N 1 0 435.597 3.938 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(Cl)c1)CCC2 ZINC001164810739 720210930 /nfs/dbraw/zinc/21/09/30/720210930.db2.gz CKTBXDYFSCJTCT-UHFFFAOYSA-N 1 0 446.329 3.741 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)ncc1Cl)CCC2 ZINC001164815500 720213220 /nfs/dbraw/zinc/21/32/20/720213220.db2.gz ZZZQIRHAJAIGRL-UHFFFAOYSA-N 1 0 446.329 3.741 20 0 IHADRO COc1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c2cc(Cl)ccc12 ZINC001164814785 720224150 /nfs/dbraw/zinc/22/41/50/720224150.db2.gz ZBGKXYFPRWXWCS-UHFFFAOYSA-N 1 0 441.963 3.704 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc3ccc(F)cc32)CC1 ZINC001164821641 720307065 /nfs/dbraw/zinc/30/70/65/720307065.db2.gz LSHNFXZTRDZGBS-PMACEKPBSA-N 1 0 430.955 3.939 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3nc(Cl)cnc3cc2Cl)CC1 ZINC001164822111 720313470 /nfs/dbraw/zinc/31/34/70/720313470.db2.gz MVLVTZVCIZYBRU-OALUTQOASA-N 1 0 448.398 3.848 20 0 IHADRO COc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2cc(Cl)ccc12 ZINC001164829785 720318511 /nfs/dbraw/zinc/31/85/11/720318511.db2.gz NTJJKUHJMQZHAU-NHCUHLMSSA-N 1 0 442.991 3.808 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164830081 720328870 /nfs/dbraw/zinc/32/88/70/720328870.db2.gz OMWVRBKJFGDYEG-SFTDATJTSA-N 1 0 442.991 3.808 20 0 IHADRO CCCCOc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164829488 720333474 /nfs/dbraw/zinc/33/34/74/720333474.db2.gz MTBCKCQSCGYZRZ-NHCUHLMSSA-N 1 0 435.012 3.825 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828934 720334546 /nfs/dbraw/zinc/33/45/46/720334546.db2.gz KRGPJDQBNSTTOH-RBUKOAKNSA-N 1 0 445.011 3.577 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829861 720334716 /nfs/dbraw/zinc/33/47/16/720334716.db2.gz OIGFSWKAZZOHGS-PKTZIBPZSA-N 1 0 425.621 3.744 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822870 720351477 /nfs/dbraw/zinc/35/14/77/720351477.db2.gz FZWZIDVZWAUQMP-GOTSBHOMSA-N 1 0 437.563 3.503 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828663 720352132 /nfs/dbraw/zinc/35/21/32/720352132.db2.gz PBJSCOODHICWPT-RBUKOAKNSA-N 1 0 432.012 3.617 20 0 IHADRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1-c1ccccc1F ZINC001164829525 720352171 /nfs/dbraw/zinc/35/21/71/720352171.db2.gz SKADRLWVRIMUSC-FGZHOGPDSA-N 1 0 437.563 3.503 20 0 IHADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164725394 720394200 /nfs/dbraw/zinc/39/42/00/720394200.db2.gz NFNHDCMAVNAZSA-DHIUTWEWSA-N 1 0 428.515 3.867 20 0 IHADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c2[nH]cnc21 ZINC001164733603 720428220 /nfs/dbraw/zinc/42/82/20/720428220.db2.gz PYFRQYBBNLVEEY-QZTJIDSGSA-N 1 0 435.532 3.553 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)C1 ZINC001164729277 720510838 /nfs/dbraw/zinc/51/08/38/720510838.db2.gz JKMDRNSKFZXBQD-NSHDSACASA-N 1 0 425.751 3.985 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(OCc4ccccc4)n3)CC[C@@H]21 ZINC001164834335 720519721 /nfs/dbraw/zinc/51/97/21/720519721.db2.gz FPKXAMXIAQPWLT-VJBWXMMDSA-N 1 0 432.572 3.630 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c(Cl)nc2c1 ZINC001164835829 720532596 /nfs/dbraw/zinc/53/25/96/720532596.db2.gz IBUOTFYYULXPDT-LLGFUMIMSA-N 1 0 440.979 3.866 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c(Cl)nc2c1 ZINC001164835830 720532708 /nfs/dbraw/zinc/53/27/08/720532708.db2.gz IBUOTFYYULXPDT-XGHQBKJUSA-N 1 0 440.979 3.866 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2ccccc2Cl)C1 ZINC001164735176 720533352 /nfs/dbraw/zinc/53/33/52/720533352.db2.gz MXFPFOKBFLQELE-CQSZACIVSA-N 1 0 433.343 3.970 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)ccc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835887 720540158 /nfs/dbraw/zinc/54/01/58/720540158.db2.gz IXRFFCWGALFQFP-HLLBOEOZSA-N 1 0 427.902 3.993 20 0 IHADRO COC(=O)c1cc(Cl)nc(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001164736010 720545398 /nfs/dbraw/zinc/54/53/98/720545398.db2.gz UEOYCMXHJXGQPW-CQSZACIVSA-N 1 0 431.911 3.583 20 0 IHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164734485 720546551 /nfs/dbraw/zinc/54/65/51/720546551.db2.gz JASNPPVTTAYHPU-CYBMUJFWSA-N 1 0 431.911 3.583 20 0 IHADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164836328 720592062 /nfs/dbraw/zinc/59/20/62/720592062.db2.gz FTCGCAWHROYDJR-RJGXRXQPSA-N 1 0 433.556 3.596 20 0 IHADRO Fc1cccc(Oc2nc(Cl)ncc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164739593 720593612 /nfs/dbraw/zinc/59/36/12/720593612.db2.gz GDMWISKMYDOUQB-UHFFFAOYSA-N 1 0 442.926 3.916 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cl)c4ccc(F)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844146 720628832 /nfs/dbraw/zinc/62/88/32/720628832.db2.gz ZBKBCMJWZSEHRC-RIFZZMRRSA-N 1 0 428.943 3.997 20 0 IHADRO COc1cc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844172 720637617 /nfs/dbraw/zinc/63/76/17/720637617.db2.gz ZOPDEUCNJBOMJN-DNVFCKCGSA-N 1 0 435.572 3.826 20 0 IHADRO COC(=O)c1cc(Cl)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841932 720672565 /nfs/dbraw/zinc/67/25/65/720672565.db2.gz RDHKXWLRQWPBQN-IBGZPJMESA-N 1 0 429.948 3.782 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164843824 720691951 /nfs/dbraw/zinc/69/19/51/720691951.db2.gz REBMVNALNWCINZ-MRXNPFEDSA-N 1 0 429.977 4.000 20 0 IHADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(OC)c1 ZINC001164842056 720699040 /nfs/dbraw/zinc/69/90/40/720699040.db2.gz LIEHUYXKFKXSSF-OAQYLSRUSA-N 1 0 439.556 3.527 20 0 IHADRO COC(OC)c1cc(C)cnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842336 720705422 /nfs/dbraw/zinc/70/54/22/720705422.db2.gz YMKMJCGVEDYLOD-NRFANRHFSA-N 1 0 425.573 3.941 20 0 IHADRO Cc1ccc(-c2nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164740485 720756170 /nfs/dbraw/zinc/75/61/70/720756170.db2.gz LJFVQHMIJKJOJZ-SFTDATJTSA-N 1 0 438.535 3.737 20 0 IHADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164749212 720787156 /nfs/dbraw/zinc/78/71/56/720787156.db2.gz SEKOERJYIPBKIM-MSOLQXFVSA-N 1 0 436.947 3.546 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164737359 720821606 /nfs/dbraw/zinc/82/16/06/720821606.db2.gz AJTOVBZPDKBXFM-JFIYKMOQSA-N 1 0 444.008 3.624 20 0 IHADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749698 720835888 /nfs/dbraw/zinc/83/58/88/720835888.db2.gz WPUUAUSLSVFVIT-OKZBNKHCSA-N 1 0 436.938 3.559 20 0 IHADRO Clc1cccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164747284 720847611 /nfs/dbraw/zinc/84/76/11/720847611.db2.gz QBYJBQWWFRIOCW-XKCSPQBFSA-N 1 0 449.990 3.768 20 0 IHADRO Clc1cccc(-c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)c1 ZINC001164741670 720849500 /nfs/dbraw/zinc/84/95/00/720849500.db2.gz FMRWGYYDDOYHPK-UNWVZKJWSA-N 1 0 449.990 3.768 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]2C1 ZINC001164857108 720850025 /nfs/dbraw/zinc/85/00/25/720850025.db2.gz XKKIRYJHNXHORG-QFBILLFUSA-N 1 0 425.907 3.607 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]2C1 ZINC001164854242 720850216 /nfs/dbraw/zinc/85/02/16/720850216.db2.gz QJADMZLZKREOFG-VQIMIIECSA-N 1 0 425.907 3.607 20 0 IHADRO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164747594 720851747 /nfs/dbraw/zinc/85/17/47/720851747.db2.gz IDFBQVWXWZGIFJ-GIFXNVAJSA-N 1 0 443.599 3.677 20 0 IHADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747646 720856590 /nfs/dbraw/zinc/85/65/90/720856590.db2.gz IWCINEGPEGVPNZ-GUDVDZBRSA-N 1 0 430.000 3.533 20 0 IHADRO CSc1nc(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750451 720868939 /nfs/dbraw/zinc/86/89/39/720868939.db2.gz JCWNZCJVSBUCHI-URXFXBBRSA-N 1 0 439.629 3.657 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccc4ncccc42)C3)c1 ZINC001164754821 720875827 /nfs/dbraw/zinc/87/58/27/720875827.db2.gz STPAUQLJUYOODK-ATIYNZHBSA-N 1 0 429.568 3.780 20 0 IHADRO c1ccc2c(c1)cnnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753283 720880972 /nfs/dbraw/zinc/88/09/72/720880972.db2.gz OPZWOZYCQSFVIN-JYFHCDHNSA-N 1 0 429.568 3.780 20 0 IHADRO CC(C)(C)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757760 720884754 /nfs/dbraw/zinc/88/47/54/720884754.db2.gz VLJREPGPGPHUHT-BKMJKUGQSA-N 1 0 435.616 3.924 20 0 IHADRO Clc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755928 720886786 /nfs/dbraw/zinc/88/67/86/720886786.db2.gz NJXQBQUMZSOYPR-GCJKJVERSA-N 1 0 448.398 3.934 20 0 IHADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164863673 720889621 /nfs/dbraw/zinc/88/96/21/720889621.db2.gz TYUCYJBBJPKUKF-RXVVDRJESA-N 1 0 446.979 3.658 20 0 IHADRO Fc1cccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164758446 720893646 /nfs/dbraw/zinc/89/36/46/720893646.db2.gz YDPCZOAMQRTJMQ-RLWLMLJZSA-N 1 0 447.558 3.919 20 0 IHADRO COc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755381 720894072 /nfs/dbraw/zinc/89/40/72/720894072.db2.gz LRAMFAFSYZNHRH-RDPSFJRHSA-N 1 0 442.991 3.894 20 0 IHADRO Nc1cc(F)c(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751775 720899821 /nfs/dbraw/zinc/89/98/21/720899821.db2.gz DMDFEFYUSBSJGZ-WZONZLPQSA-N 1 0 445.970 3.606 20 0 IHADRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C2CC2)n1 ZINC001164748073 720921433 /nfs/dbraw/zinc/92/14/33/720921433.db2.gz FOCHMTNDFDUTTA-OZXSUGGESA-N 1 0 433.600 3.813 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)CCCC4)C3)c1 ZINC001164748450 720927128 /nfs/dbraw/zinc/92/71/28/720927128.db2.gz GDZTYBAHXAQPMM-JYFHCDHNSA-N 1 0 433.600 3.506 20 0 IHADRO C[C@@H]1CCc2nnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2C1 ZINC001164754229 720929347 /nfs/dbraw/zinc/92/93/47/720929347.db2.gz UVXOPIFHQXINEY-MHLNXUHPSA-N 1 0 447.627 3.752 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)[C@H]2C ZINC001164863154 720936643 /nfs/dbraw/zinc/93/66/43/720936643.db2.gz YKHMFDLVGWQBKC-KRWDZBQOSA-N 1 0 445.011 3.979 20 0 IHADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164863579 720971560 /nfs/dbraw/zinc/97/15/60/720971560.db2.gz WUHMHBKVXFRYKV-INIZCTEOSA-N 1 0 433.000 3.835 20 0 IHADRO c1ncn2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C[C@H](COCC1CC1)C2 ZINC001164756030 720975577 /nfs/dbraw/zinc/97/55/77/720975577.db2.gz DEKCPXNIRYSLBI-QHCPKHFHSA-N 1 0 443.595 3.899 20 0 IHADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870706 721054803 /nfs/dbraw/zinc/05/48/03/721054803.db2.gz WVHPFXCYXJGWIP-CABCVRRESA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871471 721059771 /nfs/dbraw/zinc/05/97/71/721059771.db2.gz YYVRINMHZJISDL-QZTJIDSGSA-N 1 0 445.901 3.703 20 0 IHADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867081 721074902 /nfs/dbraw/zinc/07/49/02/721074902.db2.gz HOQRZECIDIGFAJ-ROUUACIJSA-N 1 0 445.901 3.703 20 0 IHADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865785 721090826 /nfs/dbraw/zinc/09/08/26/721090826.db2.gz PMEDDAKKQBOPAY-JKSUJKDBSA-N 1 0 433.890 3.636 20 0 IHADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865637 721107130 /nfs/dbraw/zinc/10/71/30/721107130.db2.gz NSZQITCZTLGEHD-RTBURBONSA-N 1 0 445.901 3.703 20 0 IHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866975 721108850 /nfs/dbraw/zinc/10/88/50/721108850.db2.gz WBGMVNWVZCUKMT-IAGOWNOFSA-N 1 0 445.901 3.703 20 0 IHADRO CSc1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164874489 721132987 /nfs/dbraw/zinc/13/29/87/721132987.db2.gz KCLLFFYYAXEYAG-HZPDHXFCSA-N 1 0 440.947 3.877 20 0 IHADRO c1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)nc1 ZINC001164879580 721142524 /nfs/dbraw/zinc/14/25/24/721142524.db2.gz UBGCVXZTNDALDE-RTWAWAEBSA-N 1 0 438.535 3.567 20 0 IHADRO c1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)nc1 ZINC001164879582 721142582 /nfs/dbraw/zinc/14/25/82/721142582.db2.gz UBGCVXZTNDALDE-SFTDATJTSA-N 1 0 438.535 3.567 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164874478 721163486 /nfs/dbraw/zinc/16/34/86/721163486.db2.gz KCCZMJPLFXIWFQ-MOPGFXCFSA-N 1 0 439.922 3.811 20 0 IHADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868258 721188874 /nfs/dbraw/zinc/18/88/74/721188874.db2.gz LJLNTONEJKFBDT-CVEARBPZSA-N 1 0 426.920 3.748 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164768624 721191105 /nfs/dbraw/zinc/19/11/05/721191105.db2.gz LKEWIXLTUWRWFM-XZOQPEGZSA-N 1 0 438.579 3.912 20 0 IHADRO Clc1ccc2c(Cl)ncnc2c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871376 721191531 /nfs/dbraw/zinc/19/15/31/721191531.db2.gz YSXXXXXBTCTUNN-HZPDHXFCSA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164766943 721208645 /nfs/dbraw/zinc/20/86/45/721208645.db2.gz JPYJFMWJBQWFEZ-JKSUJKDBSA-N 1 0 432.906 3.520 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccc(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164766193 721236232 /nfs/dbraw/zinc/23/62/32/721236232.db2.gz SUYMZBPSABQKPH-KGLIPLIRSA-N 1 0 432.302 3.505 20 0 IHADRO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164764677 721238070 /nfs/dbraw/zinc/23/80/70/721238070.db2.gz PKADUFNFRGINIK-RTBURBONSA-N 1 0 438.963 3.923 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ccoc43)C2)C1 ZINC001164777626 721338538 /nfs/dbraw/zinc/33/85/38/721338538.db2.gz OVCKMSKAYZXUKA-NRFANRHFSA-N 1 0 431.924 3.600 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164881750 721345762 /nfs/dbraw/zinc/34/57/62/721345762.db2.gz AMZSRTHSQSNZQT-TZBSWOFLSA-N 1 0 426.605 3.530 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)nc1 ZINC001164881241 721366982 /nfs/dbraw/zinc/36/69/82/721366982.db2.gz ANBFDFGZJAHOPL-XPWALMASSA-N 1 0 438.547 3.778 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164890978 721384193 /nfs/dbraw/zinc/38/41/93/721384193.db2.gz PSWKTBFYSSXQCM-BEFAXECRSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5ccc(F)cc54)C3)O2)CC1 ZINC001164886096 721397717 /nfs/dbraw/zinc/39/77/17/721397717.db2.gz DLAXQVDFGASZJF-CVDCTZTESA-N 1 0 432.971 3.793 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5Cl)nn4)C3)O2)CC1 ZINC001164883485 721422669 /nfs/dbraw/zinc/42/26/69/721422669.db2.gz ACPDIHPFYXTDSO-NTKDMRAZSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896836 721433513 /nfs/dbraw/zinc/43/35/13/721433513.db2.gz SDMPUUOCFHNJPQ-WZONZLPQSA-N 1 0 436.044 3.501 20 0 IHADRO Cc1cccc2cc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164894402 721447955 /nfs/dbraw/zinc/44/79/55/721447955.db2.gz MBDKRDZMOGALGR-RDPSFJRHSA-N 1 0 429.008 3.962 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c(F)cccc45)C3)O2)CC1 ZINC001164884945 721450145 /nfs/dbraw/zinc/45/01/45/721450145.db2.gz CXIVXWQBRNCJDR-SBUREZEXSA-N 1 0 432.971 3.793 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3scc(C)c31)CC2 ZINC001164789309 721450142 /nfs/dbraw/zinc/45/01/42/721450142.db2.gz UPMRFIBDFRWPOM-IBGZPJMESA-N 1 0 430.618 3.734 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164788570 721453509 /nfs/dbraw/zinc/45/35/09/721453509.db2.gz RLTBOGWIGCISRS-HSZRJFAPSA-N 1 0 436.600 3.878 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(OC)ccc31)CC2 ZINC001164785955 721454686 /nfs/dbraw/zinc/45/46/86/721454686.db2.gz KEWWRFWRVWSFQF-QFIPXVFZSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3cc(F)ccc3n1)CC2 ZINC001164785472 721463595 /nfs/dbraw/zinc/46/35/95/721463595.db2.gz LLZJOWKJKCJHDS-OAQYLSRUSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(SC(C)C)nn1)CC2 ZINC001164789516 721469320 /nfs/dbraw/zinc/46/93/20/721469320.db2.gz NMCFZQIMUVUROT-FQEVSTJZSA-N 1 0 434.650 3.711 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164787267 721471150 /nfs/dbraw/zinc/47/11/50/721471150.db2.gz DTEDDDLAWSWQEV-LJQANCHMSA-N 1 0 437.028 3.987 20 0 IHADRO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792433 721490052 /nfs/dbraw/zinc/49/00/52/721490052.db2.gz IZCRTYTWHBHZHF-UHFFFAOYSA-N 1 0 441.601 3.651 20 0 IHADRO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792310 721494668 /nfs/dbraw/zinc/49/46/68/721494668.db2.gz NXQIRARYWBKURQ-UHFFFAOYSA-N 1 0 429.952 3.583 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164897646 721502078 /nfs/dbraw/zinc/50/20/78/721502078.db2.gz NLDUJFMOTHXGRL-YADHBBJMSA-N 1 0 428.621 3.776 20 0 IHADRO COCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164897072 721514381 /nfs/dbraw/zinc/51/43/81/721514381.db2.gz DNHYSTOGWVGBDA-GGAORHGYSA-N 1 0 434.515 3.771 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nccnc4C4SCCCS4)CC[N@@H+]3C2)c1 ZINC001164901041 721525255 /nfs/dbraw/zinc/52/52/55/721525255.db2.gz WDQNNLYGJRGUND-WMZOPIPTSA-N 1 0 432.590 3.826 20 0 IHADRO COC(=O)C[C@H](c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164911103 721550828 /nfs/dbraw/zinc/55/08/28/721550828.db2.gz YMXSYHNTPSTZJM-MZYLBHOOSA-N 1 0 439.531 3.619 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC[N@@H+]3C2)c1 ZINC001164911095 721555230 /nfs/dbraw/zinc/55/52/30/721555230.db2.gz YKBGASAESNVBAJ-GOEBONIOSA-N 1 0 438.881 3.645 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164909645 721560859 /nfs/dbraw/zinc/56/08/59/721560859.db2.gz UMHGQWCYJUIWJW-TZIWHRDSSA-N 1 0 431.515 3.508 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCc3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164800990 721569918 /nfs/dbraw/zinc/56/99/18/721569918.db2.gz GBXUNSRXTSGWPY-ZEVJAHDQSA-N 1 0 430.552 3.924 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2F)[C@H]2CCCO[C@H]12 ZINC001164807508 721582799 /nfs/dbraw/zinc/58/27/99/721582799.db2.gz OHVQEDQUEKKOSE-DWLFOUALSA-N 1 0 427.911 3.686 20 0 IHADRO CCOC(=O)c1ccc(C)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905768 721583648 /nfs/dbraw/zinc/58/36/48/721583648.db2.gz WSXZEHAMFXQFNB-QFIPXVFZSA-N 1 0 430.499 3.699 20 0 IHADRO COC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904103 721586423 /nfs/dbraw/zinc/58/64/23/721586423.db2.gz CYWPUCVYRVBUIL-HXUWFJFHSA-N 1 0 436.890 3.654 20 0 IHADRO COC(=O)c1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905596 721702647 /nfs/dbraw/zinc/70/26/47/721702647.db2.gz KAVXOSIIXGEQHD-HXUWFJFHSA-N 1 0 436.890 3.654 20 0 IHADRO CC(C)(C)C(=O)Nc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164908789 721703682 /nfs/dbraw/zinc/70/36/82/721703682.db2.gz ZKAYTGVOZYVHNJ-QFIPXVFZSA-N 1 0 444.530 3.594 20 0 IHADRO CC(C)(C)NC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164906045 721705893 /nfs/dbraw/zinc/70/58/93/721705893.db2.gz JNATZANOLXTDNB-QHCPKHFHSA-N 1 0 443.542 3.743 20 0 IHADRO CSc1nc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2s1 ZINC001164904835 721716120 /nfs/dbraw/zinc/71/61/20/721716120.db2.gz DHGCLOZXDDUXLQ-IBGZPJMESA-N 1 0 448.568 3.941 20 0 IHADRO FC1(F)CCN(c2nc[nH]c3nc(=S)sc2-3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907400 721721171 /nfs/dbraw/zinc/72/11/71/721721171.db2.gz ROWZVXOVQNDJAW-GOSISDBHSA-N 1 0 434.541 3.508 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC001165011100 721736500 /nfs/dbraw/zinc/73/65/00/721736500.db2.gz LEFDNOHUHILIQH-UHFFFAOYSA-N 1 0 429.568 3.820 20 0 IHADRO C[NH+](C)Cc1ccnc(N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001164911860 721742700 /nfs/dbraw/zinc/74/27/00/721742700.db2.gz LOMNRDSGQMAZPX-JYFHCDHNSA-N 1 0 427.552 3.565 20 0 IHADRO CSc1ccc(Oc2cc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ncn2)cc1 ZINC001165011391 721742983 /nfs/dbraw/zinc/74/29/83/721742983.db2.gz WDIRAVVOQZLEJI-UHFFFAOYSA-N 1 0 441.601 3.514 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165021852 721785468 /nfs/dbraw/zinc/78/54/68/721785468.db2.gz PTZUXWNJYNFUAL-RDGATRHJSA-N 1 0 434.588 3.832 20 0 IHADRO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165027249 721804359 /nfs/dbraw/zinc/80/43/59/721804359.db2.gz UXVCZMFEXATELX-HARLFGEKSA-N 1 0 431.540 3.548 20 0 IHADRO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncc21 ZINC001165025913 721807203 /nfs/dbraw/zinc/80/72/03/721807203.db2.gz PVIPZFTWCRJGOL-LXBDKUERSA-N 1 0 431.540 3.548 20 0 IHADRO COc1cc2ncc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165020768 721810278 /nfs/dbraw/zinc/81/02/78/721810278.db2.gz CWERIWZWZTYKEP-LQBOVUBWSA-N 1 0 433.556 3.779 20 0 IHADRO COc1cc2ncc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165020760 721810432 /nfs/dbraw/zinc/81/04/32/721810432.db2.gz CWERIWZWZTYKEP-JLMWRMLUSA-N 1 0 433.556 3.779 20 0 IHADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1OCC ZINC001165027296 721811046 /nfs/dbraw/zinc/81/10/46/721811046.db2.gz UAESLACHSSLURF-NYVOZVTQSA-N 1 0 438.572 3.789 20 0 IHADRO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027399 721816730 /nfs/dbraw/zinc/81/67/30/721816730.db2.gz UQUQWPDQRPLVEW-PMVMPFDFSA-N 1 0 443.599 3.737 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@@H]21 ZINC001165027414 721821523 /nfs/dbraw/zinc/82/15/23/721821523.db2.gz SCCGDFRCPQEMMW-DKSSEZFCSA-N 1 0 449.933 3.511 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164926157 721854228 /nfs/dbraw/zinc/85/42/28/721854228.db2.gz HSTLFOWPCVDTIB-HOTGVXAUSA-N 1 0 430.330 3.696 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164930322 721880855 /nfs/dbraw/zinc/88/08/55/721880855.db2.gz CVSCTYXFIAPLHB-HOTGVXAUSA-N 1 0 427.952 3.618 20 0 IHADRO C[NH+](C)[C@H]1CCCN(c2ccc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)C1 ZINC001165034489 721887169 /nfs/dbraw/zinc/88/71/69/721887169.db2.gz GMAGHHYTHUJKIZ-SFHVURJKSA-N 1 0 431.519 3.558 20 0 IHADRO C[NH+](C)[C@H]1CCCN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)C1 ZINC001165038980 721892778 /nfs/dbraw/zinc/89/27/78/721892778.db2.gz KWFIUIAULDPPFL-HRAATJIYSA-N 1 0 438.378 3.948 20 0 IHADRO c1ccc(-c2ncc3c(n2)[C@@]2(CCN(c4ccc(C[NH+]5CCCC5)cn4)C2)COC3)cc1 ZINC001164927153 721899205 /nfs/dbraw/zinc/89/92/05/721899205.db2.gz GYXYHWDULXYUBK-AREMUKBSSA-N 1 0 427.552 3.813 20 0 IHADRO COC(=O)c1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)ncc2c1 ZINC001164939345 721922638 /nfs/dbraw/zinc/92/26/38/721922638.db2.gz JJGSAAZZMYBTQF-UHFFFAOYSA-N 1 0 446.551 3.596 20 0 IHADRO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939671 721929694 /nfs/dbraw/zinc/92/96/94/721929694.db2.gz NYKVYHRZISAQDE-CMDGGOBGSA-N 1 0 435.568 3.756 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc1 ZINC001164948300 721962064 /nfs/dbraw/zinc/96/20/64/721962064.db2.gz SVMCNSRSKQFDFE-TZRRMPRUSA-N 1 0 439.604 3.713 20 0 IHADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21 ZINC001164952494 722004590 /nfs/dbraw/zinc/00/45/90/722004590.db2.gz MXJKXMYQKQMVTK-SFTDATJTSA-N 1 0 429.568 3.733 20 0 IHADRO CSc1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164965470 722061729 /nfs/dbraw/zinc/06/17/29/722061729.db2.gz KFHBKBVKMFDQOM-UHFFFAOYSA-N 1 0 435.597 3.866 20 0 IHADRO Fc1ccc2c(Cl)ncnc2c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966510 722062478 /nfs/dbraw/zinc/06/24/78/722062478.db2.gz VLGLSLYVIHSNQJ-UHFFFAOYSA-N 1 0 441.938 3.936 20 0 IHADRO Cc1cncc(COCc2cnc3n2CCN(c2ccc(C[N@H+](C)C4CC4)cn2)[C@H]3C)c1 ZINC001164966024 722063499 /nfs/dbraw/zinc/06/34/99/722063499.db2.gz NMZVOBOJSLGKOH-IBGZPJMESA-N 1 0 432.572 3.874 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164971877 722109345 /nfs/dbraw/zinc/10/93/45/722109345.db2.gz CYMONOMHBXRMTI-WMZOPIPTSA-N 1 0 429.977 3.775 20 0 IHADRO CSc1nc2ccsc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975091 722113082 /nfs/dbraw/zinc/11/30/82/722113082.db2.gz JKEXGPQUHTVFFX-FUHWJXTLSA-N 1 0 427.599 3.536 20 0 IHADRO c1cn(C2CCCC2)c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971377 722122029 /nfs/dbraw/zinc/12/20/29/722122029.db2.gz BQBRTTLUMMOFOF-REWPJTCUSA-N 1 0 432.572 3.669 20 0 IHADRO Fc1cccc(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164983888 722135030 /nfs/dbraw/zinc/13/50/30/722135030.db2.gz VYWZZSUHIJGZTR-KNQAVFIVSA-N 1 0 435.503 3.530 20 0 IHADRO Clc1ccc2[nH]c3ncnc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c3c2c1 ZINC001164976982 722136625 /nfs/dbraw/zinc/13/66/25/722136625.db2.gz HMJZJZOPCKHAFF-LAUBAEHRSA-N 1 0 448.958 3.887 20 0 IHADRO c1ccc(COc2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164980359 722139001 /nfs/dbraw/zinc/13/90/01/722139001.db2.gz NEWMOPWEBAHPAD-UKILVPOCSA-N 1 0 430.552 3.783 20 0 IHADRO Clc1cccc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164984957 722144493 /nfs/dbraw/zinc/14/44/93/722144493.db2.gz YMBDYVNLJIMDNJ-NZQKXSOJSA-N 1 0 435.959 3.919 20 0 IHADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980946 722146814 /nfs/dbraw/zinc/14/68/14/722146814.db2.gz OAUPTISWGLZOBL-HRAATJIYSA-N 1 0 427.911 3.545 20 0 IHADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984264 722147939 /nfs/dbraw/zinc/14/79/39/722147939.db2.gz XCCXMSMHIBQNFJ-RCZVLFRGSA-N 1 0 445.567 3.665 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971710 722153741 /nfs/dbraw/zinc/15/37/41/722153741.db2.gz DIUWGJXHQILCEF-URXFXBBRSA-N 1 0 433.531 3.713 20 0 IHADRO Clc1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C2CC2)n1 ZINC001164972616 722156373 /nfs/dbraw/zinc/15/63/73/722156373.db2.gz IRLRMWHXCWYFCS-SJORKVTESA-N 1 0 434.371 3.783 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1 ZINC001165002104 722248174 /nfs/dbraw/zinc/24/81/74/722248174.db2.gz WGYRKJZEVRWIIZ-HXUWFJFHSA-N 1 0 432.528 3.827 20 0 IHADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2N)cc1 ZINC000467354107 1126094368 /nfs/dbraw/zinc/09/43/68/1126094368.db2.gz LNSLFEHHDSMXFY-OAHLLOKOSA-N 1 0 428.168 3.795 20 0 IHADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000523840176 1126095933 /nfs/dbraw/zinc/09/59/33/1126095933.db2.gz XJKYXTGDRVONQV-INIZCTEOSA-N 1 0 431.330 3.785 20 0 IHADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000800239082 1126110563 /nfs/dbraw/zinc/11/05/63/1126110563.db2.gz KEVZEOUKVINLKJ-JOCHJYFZSA-N 1 0 432.590 3.607 20 0 IHADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC001175708833 1126149428 /nfs/dbraw/zinc/14/94/28/1126149428.db2.gz VULJKOHMAHDFBO-QFIPXVFZSA-N 1 0 425.510 3.749 20 0 IHADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c(Br)c1 ZINC001183419362 1126153372 /nfs/dbraw/zinc/15/33/72/1126153372.db2.gz NKNSXESFEHKQTQ-IBGZPJMESA-N 1 0 426.738 3.972 20 0 IHADRO COC(=O)c1ccc(Br)c(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c1 ZINC001308117815 1126163658 /nfs/dbraw/zinc/16/36/58/1126163658.db2.gz ZXUNEGZUGWMRCC-IBGZPJMESA-N 1 0 426.738 3.972 20 0 IHADRO CCn1c(Br)c(Br)nc1C[NH2+][C@@](C)(CO)Cc1ccc(F)cc1 ZINC001308479255 1126166476 /nfs/dbraw/zinc/16/64/76/1126166476.db2.gz HVLPCEHNAIJNDH-MRXNPFEDSA-N 1 0 449.162 3.650 20 0 IHADRO COC(=O)c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)[nH]c1C(C)C ZINC001462430926 1126197646 /nfs/dbraw/zinc/19/76/46/1126197646.db2.gz VLZSFFBJJRRDSR-NRFANRHFSA-N 1 0 435.362 3.697 20 0 IHADRO OC[C@@]1([NH2+]Cc2nc(-c3ccccc3F)no2)CCc2cc(Br)ccc2C1 ZINC001473641492 1126198408 /nfs/dbraw/zinc/19/84/08/1126198408.db2.gz PQSFMWQNPUCPGI-HXUWFJFHSA-N 1 0 432.293 3.648 20 0 IHADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1C ZINC001474169237 1126201980 /nfs/dbraw/zinc/20/19/80/1126201980.db2.gz AQSZECDSDVNUQV-NRFANRHFSA-N 1 0 443.588 3.647 20 0 IHADRO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@@](C)(CO)Cc1ccc(Cl)cc1)n2CC ZINC001560183856 1126209786 /nfs/dbraw/zinc/20/97/86/1126209786.db2.gz YOGOQGMNBJUSJZ-HSZRJFAPSA-N 1 0 429.948 3.970 20 0 IHADRO O=C(OCc1ccccc1)c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c[nH]1 ZINC001560330070 1126209952 /nfs/dbraw/zinc/20/99/52/1126209952.db2.gz BZFBEVPERKRGOM-FPOVZHCZSA-N 1 0 432.442 3.996 20 0 IHADRO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001559997050 1126207088 /nfs/dbraw/zinc/20/70/88/1126207088.db2.gz LWKRCAOLWASWAZ-JOCHJYFZSA-N 1 0 426.358 3.953 20 0 IHADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1C ZINC001560495179 1126211443 /nfs/dbraw/zinc/21/14/43/1126211443.db2.gz LZXPOPQVMZWPTL-OAQYLSRUSA-N 1 0 433.390 3.596 20 0 IHADRO COC(=O)c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)cnc1Cl ZINC001164387527 718814234 /nfs/dbraw/zinc/81/42/34/718814234.db2.gz HLDBZKUMZCUSMD-CQSZACIVSA-N 1 0 427.801 3.577 20 0 IHADRO Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)cc1 ZINC001164408078 718839952 /nfs/dbraw/zinc/83/99/52/718839952.db2.gz YBRHVSSZOQELEK-HXUWFJFHSA-N 1 0 442.592 3.823 20 0 IHADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c2ccccc21 ZINC001164400906 718863248 /nfs/dbraw/zinc/86/32/48/718863248.db2.gz AUTUPGDHSMTZKD-AUUYWEPGSA-N 1 0 447.917 3.648 20 0 IHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413759 718880125 /nfs/dbraw/zinc/88/01/25/718880125.db2.gz MDPGBFVIZASMRD-NSHDSACASA-N 1 0 427.801 3.720 20 0 IHADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001164446933 718997728 /nfs/dbraw/zinc/99/77/28/718997728.db2.gz ACNVUAATYQIPNS-CABCVRRESA-N 1 0 443.281 3.626 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc(Cc4ccccc4)n3)CC2)CC1 ZINC001164614212 719025452 /nfs/dbraw/zinc/02/54/52/719025452.db2.gz PTRBDIKEDMMGBY-UHFFFAOYSA-N 1 0 442.991 3.965 20 0 IHADRO c1ccc(CN2CCc3c(ncnc3N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)C2)cc1 ZINC001164625391 719045542 /nfs/dbraw/zinc/04/55/42/719045542.db2.gz PLQQZWZTTRTIBU-RPLLCQBOSA-N 1 0 425.580 3.618 20 0 IHADRO Clc1nnc(Cl)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1N1CCOCC1 ZINC001164627435 719114553 /nfs/dbraw/zinc/11/45/53/719114553.db2.gz KLKOCBPGJFKXNA-QZTJIDSGSA-N 1 0 448.398 3.721 20 0 IHADRO CC(C)N(C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2F)c2c1CC[NH2+]C2 ZINC001164682828 719649245 /nfs/dbraw/zinc/64/92/45/719649245.db2.gz TUIHUCKHKFSTFO-UHFFFAOYSA-N 1 0 430.915 3.733 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4ccsc43)CC2)c2ccccc21 ZINC001164681048 719657436 /nfs/dbraw/zinc/65/74/36/719657436.db2.gz LVNOHBWBZBSGAC-SFHVURJKSA-N 1 0 449.624 3.785 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4ncccc43)CC2)c2ccccc21 ZINC001164683135 719659735 /nfs/dbraw/zinc/65/97/35/719659735.db2.gz UUHCKVJGZQXHPU-FQEVSTJZSA-N 1 0 443.595 3.723 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)ccc3F)CC2)c2ccccc21 ZINC001164684018 719661626 /nfs/dbraw/zinc/66/16/26/719661626.db2.gz VYYJCQIGSUCHHH-QGZVFWFLSA-N 1 0 444.982 3.968 20 0 IHADRO CC(C)Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164686135 719678259 /nfs/dbraw/zinc/67/82/59/719678259.db2.gz WQRIJHRFOBQSOB-NRFANRHFSA-N 1 0 449.643 3.769 20 0 IHADRO CCOc1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682059 719680871 /nfs/dbraw/zinc/68/08/71/719680871.db2.gz BQLNVMNGWRQWKV-HXUWFJFHSA-N 1 0 436.600 3.574 20 0 IHADRO CCc1cccc(Oc2nc(Cl)ncc2N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c1 ZINC001164689364 719755670 /nfs/dbraw/zinc/75/56/70/719755670.db2.gz CTQBIAZAZJDUFT-UHFFFAOYSA-N 1 0 443.979 3.666 20 0 IHADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695294 719886806 /nfs/dbraw/zinc/88/68/06/719886806.db2.gz LROVKTSTAZQRIV-FPLPWBNLSA-N 1 0 427.570 3.591 20 0 IHADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc(OCc5ccccc5)cnn4)CC3)C2)c1 ZINC001164698297 719894774 /nfs/dbraw/zinc/89/47/74/719894774.db2.gz RCSIVNCAWUSLMQ-UHFFFAOYSA-N 1 0 436.581 3.989 20 0 IHADRO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698187 719895114 /nfs/dbraw/zinc/89/51/14/719895114.db2.gz PKUCASKQUZZQDQ-UHFFFAOYSA-N 1 0 437.565 3.954 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697669 719896020 /nfs/dbraw/zinc/89/60/20/719896020.db2.gz MWOFEYRMWHJIDD-UHFFFAOYSA-N 1 0 447.008 3.994 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001164710209 720092265 /nfs/dbraw/zinc/09/22/65/720092265.db2.gz HEIHZSVMXWYPDS-QGZVFWFLSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164713009 720103122 /nfs/dbraw/zinc/10/31/22/720103122.db2.gz ZWPWRVWLFZFTRT-GOSISDBHSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164711588 720103349 /nfs/dbraw/zinc/10/33/49/720103349.db2.gz RFBRVWJPODOWRM-GOSISDBHSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(OC)n1)CC2 ZINC001164714230 720124738 /nfs/dbraw/zinc/12/47/38/720124738.db2.gz AXJKCQBDCAOUDS-FQEVSTJZSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164714022 720128447 /nfs/dbraw/zinc/12/84/47/720128447.db2.gz VKXFCZHWZHDQKE-QGZVFWFLSA-N 1 0 427.936 3.779 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cnc1SC)CC2 ZINC001164714368 720137052 /nfs/dbraw/zinc/13/70/52/720137052.db2.gz WOZBNQQSCPFUSV-QGZVFWFLSA-N 1 0 434.009 3.754 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccncc3)n1)CC2 ZINC001164712709 720138145 /nfs/dbraw/zinc/13/81/45/720138145.db2.gz ONKQTZNRJMHAOV-QHCPKHFHSA-N 1 0 444.583 3.750 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164811559 720139599 /nfs/dbraw/zinc/13/95/99/720139599.db2.gz MLHFUJZENPSIOA-OPAMFIHVSA-N 1 0 447.942 3.641 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164811558 720140887 /nfs/dbraw/zinc/14/08/87/720140887.db2.gz MLHFUJZENPSIOA-KSFYIVLOSA-N 1 0 447.942 3.641 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(SC(C)C)nn1)CC2 ZINC001164711150 720149022 /nfs/dbraw/zinc/14/90/22/720149022.db2.gz FRDOPVXVNDXVHB-HXUWFJFHSA-N 1 0 427.618 3.880 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(-c3nccs3)n1)CC2 ZINC001164713868 720156436 /nfs/dbraw/zinc/15/64/36/720156436.db2.gz MEFAHIRSSVQFAG-LJQANCHMSA-N 1 0 436.585 3.503 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164810834 720194889 /nfs/dbraw/zinc/19/48/89/720194889.db2.gz DOKAVYYVJBPAMI-GBXCKJPGSA-N 1 0 442.991 3.894 20 0 IHADRO Cc1cccc2cc(Cl)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164716672 720203640 /nfs/dbraw/zinc/20/36/40/720203640.db2.gz RHBTUHQHFITBQD-IBGZPJMESA-N 1 0 440.979 3.541 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(Cl)cc3)nn1)CCC2 ZINC001164813324 720214711 /nfs/dbraw/zinc/21/47/11/720214711.db2.gz OIXWHWOSQKNHAS-UHFFFAOYSA-N 1 0 438.963 3.604 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc3ccc(F)cc31)CCC2 ZINC001164812807 720217306 /nfs/dbraw/zinc/21/73/06/720217306.db2.gz JBKBWZQCNFVJSJ-UHFFFAOYSA-N 1 0 429.927 3.835 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccc(Cl)cc3nc1Cl)CCC2 ZINC001164812667 720218773 /nfs/dbraw/zinc/21/87/73/720218773.db2.gz IAXMXCMLWLFLKU-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(Cl)cccc3nc1Cl)CCC2 ZINC001164816115 720244402 /nfs/dbraw/zinc/24/44/02/720244402.db2.gz GWWGUMAIFLZMTO-UHFFFAOYSA-N 1 0 447.370 3.744 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3ccc(Cl)cc32)CC1 ZINC001164817281 720288160 /nfs/dbraw/zinc/28/81/60/720288160.db2.gz CCKVFRCUSPJJRT-MOPGFXCFSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccc(Cl)cc3nc2Cl)CC1 ZINC001164821353 720310476 /nfs/dbraw/zinc/31/04/76/720310476.db2.gz KDTJBLLLXRBDMC-RTBURBONSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc3c(Cl)ccnc32)CC1 ZINC001164832544 720316324 /nfs/dbraw/zinc/31/63/24/720316324.db2.gz UIEJAVSGJJIRTE-ZWKOTPCHSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1sc2nc(C)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164834203 720316401 /nfs/dbraw/zinc/31/64/01/720316401.db2.gz YSPSRIXARGSUJL-MOPGFXCFSA-N 1 0 427.618 3.528 20 0 IHADRO COc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2cc(Cl)ccc12 ZINC001164829787 720318591 /nfs/dbraw/zinc/31/85/91/720318591.db2.gz NTJJKUHJMQZHAU-RTWAWAEBSA-N 1 0 442.991 3.808 20 0 IHADRO Cc1cc2nc(Cl)c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1C ZINC001164823368 720327328 /nfs/dbraw/zinc/32/73/28/720327328.db2.gz AXJFYJZCKDBZSX-SFTDATJTSA-N 1 0 442.007 3.812 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC001164829430 720327911 /nfs/dbraw/zinc/32/79/11/720327911.db2.gz LVHNTQSOMQEWIS-YADHBBJMSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(OCc3ccccc3)n2)CC1 ZINC001164832463 720331165 /nfs/dbraw/zinc/33/11/65/720331165.db2.gz TYXKORWDBFPRIY-XZOQPEGZSA-N 1 0 434.584 3.572 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(C(F)F)nc3ccc(F)cc32)CC1 ZINC001164826543 720350420 /nfs/dbraw/zinc/35/04/20/720350420.db2.gz KGTXWKHQBZPQKW-RBUKOAKNSA-N 1 0 447.505 3.618 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828658 720352329 /nfs/dbraw/zinc/35/23/29/720352329.db2.gz PBJSCOODHICWPT-MOPGFXCFSA-N 1 0 432.012 3.617 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(Cl)ccc3c(Cl)ncnc32)CC1 ZINC001164831684 720354340 /nfs/dbraw/zinc/35/43/40/720354340.db2.gz ZMVGIDPJMGTEEV-ZWKOTPCHSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)O2)n1 ZINC001164832048 720403451 /nfs/dbraw/zinc/40/34/51/720403451.db2.gz YJEKGJIKLDZTED-VJBWXMMDSA-N 1 0 431.540 3.830 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@H]3C2)nc1 ZINC001164824931 720424020 /nfs/dbraw/zinc/42/40/20/720424020.db2.gz MSSVAMFMZHFPCM-SSGKUCQKSA-N 1 0 428.621 3.632 20 0 IHADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727014 720455621 /nfs/dbraw/zinc/45/56/21/720455621.db2.gz CTVYDPWSOMAHIL-FCHUYYIVSA-N 1 0 429.524 3.553 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)nc1 ZINC001164832940 720503382 /nfs/dbraw/zinc/50/33/82/720503382.db2.gz CAHPQSYBBKNXHW-YCAMKHIRSA-N 1 0 440.632 3.872 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)C1 ZINC001164729910 720509254 /nfs/dbraw/zinc/50/92/54/720509254.db2.gz KNNMJGHIHBQETK-LBPRGKRZSA-N 1 0 441.313 3.876 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)c3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832375 720511358 /nfs/dbraw/zinc/51/13/58/720511358.db2.gz AJLAOUXCEHNNRS-YQQAZPJKSA-N 1 0 427.902 3.993 20 0 IHADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834677 720527794 /nfs/dbraw/zinc/52/77/94/720527794.db2.gz HATSHBBLUQIBDH-GBESFXJTSA-N 1 0 445.995 3.794 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4cccc(F)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840246 720528796 /nfs/dbraw/zinc/52/87/96/720528796.db2.gz SIZJDVXYAWITNO-JTDSTZFVSA-N 1 0 428.943 3.997 20 0 IHADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)C1 ZINC001164736539 720531264 /nfs/dbraw/zinc/53/12/64/720531264.db2.gz ZIFFGCKNYOSLPW-CYBMUJFWSA-N 1 0 435.334 3.984 20 0 IHADRO CCc1ccc(Oc2nc(Cl)ncc2N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC001164735855 720533707 /nfs/dbraw/zinc/53/37/07/720533707.db2.gz SKHYACUFIPKLSZ-KRWDZBQOSA-N 1 0 426.952 3.879 20 0 IHADRO CSc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)n1)CCCC2 ZINC001164839582 720538186 /nfs/dbraw/zinc/53/81/86/720538186.db2.gz QQQFXLANFFYYJE-BBTUJRGHSA-N 1 0 426.634 3.652 20 0 IHADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccccc21 ZINC001164837364 720540009 /nfs/dbraw/zinc/54/00/09/720540009.db2.gz MBGMVRNFPBGERN-JXALWOEJSA-N 1 0 447.583 3.986 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840673 720542170 /nfs/dbraw/zinc/54/21/70/720542170.db2.gz SMMBVVNLOZTVIK-ZIFCJYIRSA-N 1 0 440.979 3.866 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)OC(C)(C)C)cn3)CC[C@@H]21 ZINC001164836355 720543099 /nfs/dbraw/zinc/54/30/99/720543099.db2.gz JRDQOPAHPBPASY-ACRUOGEOSA-N 1 0 425.577 3.611 20 0 IHADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164733599 720543570 /nfs/dbraw/zinc/54/35/70/720543570.db2.gz CYUCQINBWHCVQT-OAHLLOKOSA-N 1 0 443.970 3.791 20 0 IHADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736169 720576106 /nfs/dbraw/zinc/57/61/06/720576106.db2.gz GBCKZCCGWHKDRU-UHFFFAOYSA-N 1 0 448.905 3.563 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842538 720577432 /nfs/dbraw/zinc/57/74/32/720577432.db2.gz YCRJUNFMKTYECC-SQNIBIBYSA-N 1 0 442.999 3.635 20 0 IHADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164842243 720587841 /nfs/dbraw/zinc/58/78/41/720587841.db2.gz UWSKGCIKVYAZKI-KVSKMBFKSA-N 1 0 427.984 3.748 20 0 IHADRO CC(C)(C)OC(=O)c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1 ZINC001164736772 720590907 /nfs/dbraw/zinc/59/09/07/720590907.db2.gz TTWNAXWBSJKBHX-UHFFFAOYSA-N 1 0 431.968 3.545 20 0 IHADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164836331 720592148 /nfs/dbraw/zinc/59/21/48/720592148.db2.gz FTCGCAWHROYDJR-XPWALMASSA-N 1 0 433.556 3.596 20 0 IHADRO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164835258 720603983 /nfs/dbraw/zinc/60/39/83/720603983.db2.gz AUGPPODDPAXUPI-TXTKFYIRSA-N 1 0 432.572 3.727 20 0 IHADRO COc1cccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c1 ZINC001164837766 720604890 /nfs/dbraw/zinc/60/48/90/720604890.db2.gz JHTHEPOMPZBRNR-ZFGGDYGUSA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841640 720615774 /nfs/dbraw/zinc/61/57/74/720615774.db2.gz UABQQCQSTWDUOP-HLLBOEOZSA-N 1 0 449.937 3.731 20 0 IHADRO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)s1 ZINC001164843141 720629354 /nfs/dbraw/zinc/62/93/54/720629354.db2.gz WXDHQXIOYQZGAB-QKNQBKEWSA-N 1 0 437.617 3.791 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C(N)=S)c4ccsc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843191 720650665 /nfs/dbraw/zinc/65/06/65/720650665.db2.gz URYNYTHQRHCIQK-JTDSTZFVSA-N 1 0 440.642 3.505 20 0 IHADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842005 720659081 /nfs/dbraw/zinc/65/90/81/720659081.db2.gz RPIXWJHWSUYBLF-GOSISDBHSA-N 1 0 444.963 3.567 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164837704 720702772 /nfs/dbraw/zinc/70/27/72/720702772.db2.gz GYIOZOKVKASRTM-HXUWFJFHSA-N 1 0 433.531 3.938 20 0 IHADRO Cc1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)s1 ZINC001164745419 720776351 /nfs/dbraw/zinc/77/63/51/720776351.db2.gz VRUPFWWDWBOYSG-ROUUACIJSA-N 1 0 444.564 3.799 20 0 IHADRO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164749219 720785798 /nfs/dbraw/zinc/78/57/98/720785798.db2.gz SEKOERJYIPBKIM-ZWKOTPCHSA-N 1 0 436.947 3.546 20 0 IHADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746799 720822175 /nfs/dbraw/zinc/82/21/75/720822175.db2.gz ZDPSVQMGVOEAQY-NLWGTHIKSA-N 1 0 437.979 3.563 20 0 IHADRO Cc1cccc2c(Cl)nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740194 720826661 /nfs/dbraw/zinc/82/66/61/720826661.db2.gz JLBSTYDDGRFPGZ-NLWGTHIKSA-N 1 0 437.979 3.563 20 0 IHADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743265 720829542 /nfs/dbraw/zinc/82/95/42/720829542.db2.gz RRYKBSSTYNOERD-ZWCUEREDSA-N 1 0 437.979 3.563 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]2C1 ZINC001164857106 720850154 /nfs/dbraw/zinc/85/01/54/720850154.db2.gz XKKIRYJHNXHORG-APWZRJJASA-N 1 0 425.907 3.607 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]2C1 ZINC001164854240 720850210 /nfs/dbraw/zinc/85/02/10/720850210.db2.gz QJADMZLZKREOFG-LPHOPBHVSA-N 1 0 425.907 3.607 20 0 IHADRO Fc1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1Cl ZINC001164750295 720856123 /nfs/dbraw/zinc/85/61/23/720856123.db2.gz PICLTINOISCLCK-NJNPRVFISA-N 1 0 440.954 3.998 20 0 IHADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccccc1F ZINC001164746101 720858146 /nfs/dbraw/zinc/85/81/46/720858146.db2.gz FQDZAIBBPMPXGC-SXWKCWPCSA-N 1 0 447.562 3.562 20 0 IHADRO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747654 720861655 /nfs/dbraw/zinc/86/16/55/720861655.db2.gz IWVWKPXIOQOEQH-WSTZPKSXSA-N 1 0 440.954 3.998 20 0 IHADRO CSc1nc(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750455 720869225 /nfs/dbraw/zinc/86/92/25/720869225.db2.gz JCWNZCJVSBUCHI-ZJSXRUAMSA-N 1 0 439.629 3.657 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(C)cc4)c4ccccc43)CC[C@H]2C1 ZINC001164853313 720873417 /nfs/dbraw/zinc/87/34/17/720873417.db2.gz BTBPZJWIBNDMKW-XUZZJYLKSA-N 1 0 432.568 3.779 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccc4ncccc42)C3)c1 ZINC001164754823 720875495 /nfs/dbraw/zinc/87/54/95/720875495.db2.gz STPAUQLJUYOODK-GJZUVCINSA-N 1 0 429.568 3.780 20 0 IHADRO Fc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164748487 720875769 /nfs/dbraw/zinc/87/57/69/720875769.db2.gz FNYOADVEPVHRBY-LVXARBLLSA-N 1 0 447.558 3.919 20 0 IHADRO COc1cc(Cl)ncc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758214 720882925 /nfs/dbraw/zinc/88/29/25/720882925.db2.gz XVIGREDGBPSYOX-YKSBVNFPSA-N 1 0 442.991 3.894 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)CC[C@H]2C1 ZINC001164855930 720886886 /nfs/dbraw/zinc/88/68/86/720886886.db2.gz IDUGGEQCBLRRPF-NZQKXSOJSA-N 1 0 445.007 3.511 20 0 IHADRO Clc1cnc(Cl)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755929 720887000 /nfs/dbraw/zinc/88/70/00/720887000.db2.gz NJXQBQUMZSOYPR-PGRDOPGGSA-N 1 0 448.398 3.934 20 0 IHADRO C=C(OCC)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164751733 720890245 /nfs/dbraw/zinc/89/02/45/720890245.db2.gz DDNJRHCDLMQSBC-JYFHCDHNSA-N 1 0 449.599 3.634 20 0 IHADRO Cc1nc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164757456 720891182 /nfs/dbraw/zinc/89/11/82/720891182.db2.gz UZQKPJVFSRAGDN-URXFXBBRSA-N 1 0 442.007 3.897 20 0 IHADRO c1ccc2nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2c1 ZINC001164756306 720891630 /nfs/dbraw/zinc/89/16/30/720891630.db2.gz PKVISMDTCYUUQR-OZXSUGGESA-N 1 0 429.568 3.780 20 0 IHADRO c1nc2c(ccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164755417 720893214 /nfs/dbraw/zinc/89/32/14/720893214.db2.gz LYYMKBUUHAWTKX-RDPSFJRHSA-N 1 0 435.597 3.841 20 0 IHADRO c1nc2c(ccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164755416 720893476 /nfs/dbraw/zinc/89/34/76/720893476.db2.gz LYYMKBUUHAWTKX-HYBUGGRVSA-N 1 0 435.597 3.841 20 0 IHADRO FC(F)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755058 720931643 /nfs/dbraw/zinc/93/16/43/720931643.db2.gz XZRIAQKLGMZYSH-NZQKXSOJSA-N 1 0 429.515 3.564 20 0 IHADRO CCc1cc(CC)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753735 720934248 /nfs/dbraw/zinc/93/42/48/720934248.db2.gz SJAFJTGBARLMBF-NVQXNPDNSA-N 1 0 435.616 3.752 20 0 IHADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862676 720963453 /nfs/dbraw/zinc/96/34/53/720963453.db2.gz WXPXXAOSRFMLOM-AWEZNQCLSA-N 1 0 442.951 3.688 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)[C@H]2C ZINC001164864185 720971526 /nfs/dbraw/zinc/97/15/26/720971526.db2.gz ZBGJKHBTVBNICT-HNNXBMFYSA-N 1 0 433.000 3.881 20 0 IHADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(NC(=O)c2ccccc2)n1 ZINC001164863920 721014555 /nfs/dbraw/zinc/01/45/55/721014555.db2.gz WAMBOQPVYGCVJT-GOSISDBHSA-N 1 0 433.560 3.655 20 0 IHADRO COc1ccc(CN(C)c2ccnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)n2)cc1 ZINC001164857357 721015987 /nfs/dbraw/zinc/01/59/87/721015987.db2.gz DIJDHWIGOJJNJK-IBGZPJMESA-N 1 0 449.603 3.740 20 0 IHADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867359 721050764 /nfs/dbraw/zinc/05/07/64/721050764.db2.gz INROFADFUGAHOW-HUUCEWRRSA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865838 721054640 /nfs/dbraw/zinc/05/46/40/721054640.db2.gz AKOMCGFAVFEINF-CABCVRRESA-N 1 0 429.298 3.808 20 0 IHADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871473 721060286 /nfs/dbraw/zinc/06/02/86/721060286.db2.gz YYVRINMHZJISDL-ZWKOTPCHSA-N 1 0 445.901 3.703 20 0 IHADRO Clc1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1Cl ZINC001164866174 721119276 /nfs/dbraw/zinc/11/92/76/721119276.db2.gz RPYZIWWIKVYXQE-CVEARBPZSA-N 1 0 430.339 3.811 20 0 IHADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164872743 721154284 /nfs/dbraw/zinc/15/42/84/721154284.db2.gz IFXKJKOYZQYMQX-IAGOWNOFSA-N 1 0 445.901 3.703 20 0 IHADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869275 721187053 /nfs/dbraw/zinc/18/70/53/721187053.db2.gz PWKSGWYWBLCQHT-GDBMZVCRSA-N 1 0 445.297 3.688 20 0 IHADRO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868873 721195388 /nfs/dbraw/zinc/19/53/88/721195388.db2.gz ORWFFLOCVZWVPI-DLBZAZTESA-N 1 0 434.918 3.643 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1 ZINC001164765840 721214241 /nfs/dbraw/zinc/21/42/41/721214241.db2.gz IMFTZDKDWPMPNW-ROUUACIJSA-N 1 0 426.927 3.628 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164762588 721223424 /nfs/dbraw/zinc/22/34/24/721223424.db2.gz CWMSIRPUTAKKCC-MOPGFXCFSA-N 1 0 447.568 3.552 20 0 IHADRO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]32)N=C1C ZINC001164872885 721227702 /nfs/dbraw/zinc/22/77/02/721227702.db2.gz OWDROBHRDPHSFA-MRCUYLHHSA-N 1 0 443.595 3.505 20 0 IHADRO Fc1ccc(-c2ncnc3c2CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cc1 ZINC001164777274 721315871 /nfs/dbraw/zinc/31/58/71/721315871.db2.gz JHVZORQLEPXIDV-UHFFFAOYSA-N 1 0 433.531 3.758 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164876774 721329875 /nfs/dbraw/zinc/32/98/75/721329875.db2.gz QBRZGWAUFQBCMO-LEWJYISDSA-N 1 0 445.571 3.944 20 0 IHADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(OCC(C)C)n3)C2)C1 ZINC001164780296 721362169 /nfs/dbraw/zinc/36/21/69/721362169.db2.gz FTXJEFPHWAACFD-XMMPIXPASA-N 1 0 428.577 3.840 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(C(C)(C)C)n3)C2)C1 ZINC001164781429 721368319 /nfs/dbraw/zinc/36/83/19/721368319.db2.gz JDERWYZHZLXQAD-DEOSSOPVSA-N 1 0 427.593 3.806 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)C3)O2)CC1 ZINC001164888555 721389728 /nfs/dbraw/zinc/38/97/28/721389728.db2.gz KBWADQRUUPNJKA-XUZZJYLKSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5Cl)nn4)C3)O2)CC1 ZINC001164883486 721422560 /nfs/dbraw/zinc/42/25/60/721422560.db2.gz ACPDIHPFYXTDSO-YADARESESA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)C3)O2)CC1 ZINC001164899972 721435111 /nfs/dbraw/zinc/43/51/11/721435111.db2.gz ZRUAUZYNDDLBKE-QPPBQGQZSA-N 1 0 442.007 3.562 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164789346 721460976 /nfs/dbraw/zinc/46/09/76/721460976.db2.gz XDFHCUKPJNDGJE-NRFANRHFSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164786688 721461228 /nfs/dbraw/zinc/46/12/28/721461228.db2.gz PDUTVQVGTFHLQZ-IBGZPJMESA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164788078 721469412 /nfs/dbraw/zinc/46/94/12/721469412.db2.gz IDEDTPIBLYLPKB-NRFANRHFSA-N 1 0 440.588 3.779 20 0 IHADRO COC(=O)c1cccc2nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)ncc21 ZINC001164792245 721493249 /nfs/dbraw/zinc/49/32/49/721493249.db2.gz LKVZGBCDOGSQGB-UHFFFAOYSA-N 1 0 431.540 3.692 20 0 IHADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909264 721545822 /nfs/dbraw/zinc/54/58/22/721545822.db2.gz RCMIDUCICNYHMF-RDJZCZTQSA-N 1 0 430.915 3.542 20 0 IHADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908220 721550837 /nfs/dbraw/zinc/55/08/37/721550837.db2.gz PZUQXICYCMKRMU-ICSRJNTNSA-N 1 0 428.508 3.910 20 0 IHADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164909653 721562512 /nfs/dbraw/zinc/56/25/12/721562512.db2.gz UMYZEWLWPUQJDP-ICSRJNTNSA-N 1 0 439.922 3.981 20 0 IHADRO CC(C)c1noc(-c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2)n1 ZINC001164805156 721585226 /nfs/dbraw/zinc/58/52/26/721585226.db2.gz KTRBBUDFOCYVNW-RZUBCFFCSA-N 1 0 434.544 3.518 20 0 IHADRO FC(F)(c1nccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907901 721586869 /nfs/dbraw/zinc/58/68/69/721586869.db2.gz WFHAZMKQQLLWBI-QGZVFWFLSA-N 1 0 429.849 3.808 20 0 IHADRO COC(=O)c1cc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907462 721693155 /nfs/dbraw/zinc/69/31/55/721693155.db2.gz TYHQSJHUIDEUNW-HXUWFJFHSA-N 1 0 436.890 3.654 20 0 IHADRO F[C@@H](Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907815 721704348 /nfs/dbraw/zinc/70/43/48/721704348.db2.gz UJLLHMRJZFDVFQ-RTBURBONSA-N 1 0 426.870 3.995 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3ncsc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908282 721705645 /nfs/dbraw/zinc/70/56/45/721705645.db2.gz WXHWCEIPUBCLTK-GOSISDBHSA-N 1 0 436.919 3.872 20 0 IHADRO COc1ccc2ncc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907429 721705924 /nfs/dbraw/zinc/70/59/24/721705924.db2.gz RYDDUWIHMTWRDL-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO COC(OC)c1cc(C)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906938 721718778 /nfs/dbraw/zinc/71/87/78/721718778.db2.gz PBEPSSIRIJFUMN-QFIPXVFZSA-N 1 0 432.515 3.814 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(CN(C)C(C)C)nnc3C2)nc1 ZINC001165011019 721719024 /nfs/dbraw/zinc/71/90/24/721719024.db2.gz MDIQEQJAVAAQMT-OAQYLSRUSA-N 1 0 425.625 3.861 20 0 IHADRO FC1(F)CCN(c2cncc(N3CCCCCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909102 721731351 /nfs/dbraw/zinc/73/13/51/721731351.db2.gz BGRLCNJJQWECDH-HSZRJFAPSA-N 1 0 442.558 3.990 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@H]21 ZINC001165019509 721801535 /nfs/dbraw/zinc/80/15/35/721801535.db2.gz CMCLSZMMPVHDCB-BMGDILEWSA-N 1 0 449.933 3.511 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@H]21 ZINC001165026607 721802163 /nfs/dbraw/zinc/80/21/63/721802163.db2.gz RKOXILBUFVGOHA-TUACAJSNSA-N 1 0 433.600 3.840 20 0 IHADRO COC(=O)c1ccc2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2c1 ZINC001165028050 721803877 /nfs/dbraw/zinc/80/38/77/721803877.db2.gz XZNZOBVHNHNFNB-WPYKKVEZSA-N 1 0 431.540 3.548 20 0 IHADRO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028208 721821335 /nfs/dbraw/zinc/82/13/35/721821335.db2.gz UVSQJMAYGWEYNN-YXJHDRRASA-N 1 0 437.922 3.815 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@H]21 ZINC001165027418 721821774 /nfs/dbraw/zinc/82/17/74/721821774.db2.gz SCCGDFRCPQEMMW-LSBZLQRGSA-N 1 0 449.933 3.511 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@H]21 ZINC001165027423 721821885 /nfs/dbraw/zinc/82/18/85/721821885.db2.gz SCCGDFRCPQEMMW-POZUXBRTSA-N 1 0 449.933 3.511 20 0 IHADRO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)no1 ZINC001165024627 721823030 /nfs/dbraw/zinc/82/30/30/721823030.db2.gz KUTMOACAFDGEOD-NYVOZVTQSA-N 1 0 446.555 3.762 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)C[C@H]21 ZINC001165019087 721828531 /nfs/dbraw/zinc/82/85/31/721828531.db2.gz AUBYNVZONXIASQ-NUEKZKHPSA-N 1 0 444.370 3.859 20 0 IHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020687 721831234 /nfs/dbraw/zinc/83/12/34/721831234.db2.gz DEGLGTTZURCETO-UKBAYJJMSA-N 1 0 443.979 3.538 20 0 IHADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020685 721831431 /nfs/dbraw/zinc/83/14/31/721831431.db2.gz DEGLGTTZURCETO-NEPXVJNWSA-N 1 0 443.979 3.538 20 0 IHADRO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)n1 ZINC001165029697 721831878 /nfs/dbraw/zinc/83/18/78/721831878.db2.gz XMRZVHKHMRNPNC-XIRDDKMYSA-N 1 0 437.922 3.815 20 0 IHADRO CCOC(=O)/C=C/c1cccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022265 721838109 /nfs/dbraw/zinc/83/81/09/721838109.db2.gz QRWVEZBIIGPGEM-VAWYXSNFSA-N 1 0 439.556 3.776 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2ccn3C)CC1 ZINC001165020306 721840036 /nfs/dbraw/zinc/84/00/36/721840036.db2.gz HPPRTUKVRQTFIK-UHFFFAOYSA-N 1 0 429.952 3.740 20 0 IHADRO COC(=O)c1c(C)cc(C)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022464 721840894 /nfs/dbraw/zinc/84/08/94/721840894.db2.gz TTWBEXYGDSNEES-UHFFFAOYSA-N 1 0 427.545 3.603 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N3CCCCC3)ncn2)CC1 ZINC001165021246 721843317 /nfs/dbraw/zinc/84/33/17/721843317.db2.gz JGCAXIHDBLYRQW-UHFFFAOYSA-N 1 0 425.577 3.585 20 0 IHADRO C=Cc1nc(Cl)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1OC ZINC001165023260 721843348 /nfs/dbraw/zinc/84/33/48/721843348.db2.gz ZLUMCXJFMMBUHD-UHFFFAOYSA-N 1 0 432.952 3.900 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164933993 721890157 /nfs/dbraw/zinc/89/01/57/721890157.db2.gz NVUTVPVZDUZRMK-OALUTQOASA-N 1 0 439.913 3.696 20 0 IHADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[NH+](CCOc4ccccc4)CC3)c2n1 ZINC001165045348 721954375 /nfs/dbraw/zinc/95/43/75/721954375.db2.gz SMBRYUHBQNXVQH-UHFFFAOYSA-N 1 0 439.734 3.581 20 0 IHADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]21 ZINC001164952491 722004540 /nfs/dbraw/zinc/00/45/40/722004540.db2.gz MXJKXMYQKQMVTK-LEWJYISDSA-N 1 0 429.568 3.733 20 0 IHADRO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164950092 722006195 /nfs/dbraw/zinc/00/61/95/722006195.db2.gz BPPOMPOFZFLHCE-UHFFFAOYSA-N 1 0 444.583 3.681 20 0 IHADRO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955549 722013484 /nfs/dbraw/zinc/01/34/84/722013484.db2.gz WJZDVEPMACKZSS-UHFFFAOYSA-N 1 0 441.579 3.899 20 0 IHADRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ncccc2C[NH+]2CCCC2)C3)n1 ZINC001164959687 722027691 /nfs/dbraw/zinc/02/76/91/722027691.db2.gz ICNWFAUQUGUYDL-RSXGOPAZSA-N 1 0 436.600 3.973 20 0 IHADRO COc1cccc(-c2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)c1 ZINC001164960675 722058210 /nfs/dbraw/zinc/05/82/10/722058210.db2.gz GXCIXKRVPHVHIW-UHFFFAOYSA-N 1 0 445.567 3.666 20 0 IHADRO c1ccc2c(c1)CCc1cnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc1-2 ZINC001164959960 722058861 /nfs/dbraw/zinc/05/88/61/722058861.db2.gz APLOGFLRIWVJFJ-UHFFFAOYSA-N 1 0 441.579 3.756 20 0 IHADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4cc(-c5nc(C6CC6)no5)ccn4)CC3)C2)ccn1 ZINC001164961672 722061442 /nfs/dbraw/zinc/06/14/42/722061442.db2.gz NWYBUXJWKKWIPZ-UHFFFAOYSA-N 1 0 446.555 3.523 20 0 IHADRO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164963641 722064307 /nfs/dbraw/zinc/06/43/07/722064307.db2.gz BVMWIXMQTGKHOE-DHIUTWEWSA-N 1 0 445.592 3.590 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCN3C(=O)c2cscn2)nc1 ZINC001164966516 722065606 /nfs/dbraw/zinc/06/56/06/722065606.db2.gz VNJRFZVFENHACU-NJDAHSKKSA-N 1 0 425.602 3.969 20 0 IHADRO Fc1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977172 722104306 /nfs/dbraw/zinc/10/43/06/722104306.db2.gz DVRMVTTUIDYYNC-DOTOQJQBSA-N 1 0 426.870 3.541 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983273 722145763 /nfs/dbraw/zinc/14/57/63/722145763.db2.gz SXGIPLRESGPSRA-DHLKQENFSA-N 1 0 429.568 3.883 20 0 IHADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995518 722200505 /nfs/dbraw/zinc/20/05/05/722200505.db2.gz NXPKPELBHDHVOC-QFIPXVFZSA-N 1 0 432.927 3.620 20 0 IHADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164994754 722213464 /nfs/dbraw/zinc/21/34/64/722213464.db2.gz DAFPOLADWHNSTL-KBMIEXCESA-N 1 0 438.547 3.529 20 0 IHADRO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998788 722213745 /nfs/dbraw/zinc/21/37/45/722213745.db2.gz XUSRUIZYKYAOHZ-QFIPXVFZSA-N 1 0 431.943 3.654 20 0 IHADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998508 722213778 /nfs/dbraw/zinc/21/37/78/722213778.db2.gz WHCBRLLSXUCHBA-NYHFZMIOSA-N 1 0 432.927 3.791 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](OCCOC)[C@@H]2Cc2cnn(C)c2)nc1 ZINC001164998740 722225172 /nfs/dbraw/zinc/22/51/72/722225172.db2.gz FECIZPKDHOXPBN-SGNDLWITSA-N 1 0 441.620 3.605 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccccc3)nc3ccccc31)CCC2 ZINC001165000444 722252664 /nfs/dbraw/zinc/25/26/64/722252664.db2.gz PRSUSNCNUPBAIN-UHFFFAOYSA-N 1 0 442.567 3.982 20 0 IHADRO COc1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c2cc(Cl)ccc12 ZINC001165001511 722253795 /nfs/dbraw/zinc/25/37/95/722253795.db2.gz AKMZTZXUEGIQQO-UHFFFAOYSA-N 1 0 429.952 3.582 20 0 IHADRO COc1cc2c(cc1F)cc(Cl)nc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004478 722258136 /nfs/dbraw/zinc/25/81/36/722258136.db2.gz SFFQGUPJEFYEON-UHFFFAOYSA-N 1 0 447.942 3.721 20 0 IHADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2)C(F)(F)F ZINC000604766038 1126099808 /nfs/dbraw/zinc/09/98/08/1126099808.db2.gz MZWAXACBMOHJGO-YOEHRIQHSA-N 1 0 432.236 3.802 20 0 IHADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001175686221 1126148902 /nfs/dbraw/zinc/14/89/02/1126148902.db2.gz CSDPFZKXBRHJBE-NHCUHLMSSA-N 1 0 432.442 3.834 20 0 IHADRO CCOc1cc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)cc(Br)c1OC ZINC001179278334 1126152023 /nfs/dbraw/zinc/15/20/23/1126152023.db2.gz UYVOVOAMPUXQCR-NRFANRHFSA-N 1 0 438.362 3.948 20 0 IHADRO CCn1c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc2c1cccc2F ZINC001307928351 1126162033 /nfs/dbraw/zinc/16/20/33/1126162033.db2.gz HNTUTSNSXUBTBO-NRFANRHFSA-N 1 0 432.337 3.967 20 0 IHADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H](CO)Cc2ccccc2)cc1Br ZINC001308379017 1126165584 /nfs/dbraw/zinc/16/55/84/1126165584.db2.gz SBBWCHYVGUANDR-WMLDXEAASA-N 1 0 426.326 3.963 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3ccc(Br)cc3o2)cc1OC ZINC001460869838 1126193102 /nfs/dbraw/zinc/19/31/02/1126193102.db2.gz OLKRXCAHDIGJTD-FQEVSTJZSA-N 1 0 435.318 3.691 20 0 IHADRO CC(C)n1ncc2cc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cnc21 ZINC001559996688 1126206988 /nfs/dbraw/zinc/20/69/88/1126206988.db2.gz DIVXFMPQWTVGJO-NRFANRHFSA-N 1 0 429.362 3.784 20 0 IHADRO C[NH+](C)[C@H](CNC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 ZINC000012594821 522070719 /nfs/dbraw/zinc/07/07/19/522070719.db2.gz WVUCJPOLVOIVIR-LJQANCHMSA-N 1 0 441.626 3.777 20 0 IHADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164388542 718815062 /nfs/dbraw/zinc/81/50/62/718815062.db2.gz PLNWSXHFNXYVKM-CQSZACIVSA-N 1 0 427.801 3.577 20 0 IHADRO Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1C ZINC001164401831 718839977 /nfs/dbraw/zinc/83/99/77/718839977.db2.gz BQJPTDPLMSPLQA-INIZCTEOSA-N 1 0 445.539 3.670 20 0 IHADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)C2 ZINC001164401559 718854806 /nfs/dbraw/zinc/85/48/06/718854806.db2.gz BOXAWMNJOBESOV-SZNDQCEHSA-N 1 0 430.886 3.513 20 0 IHADRO O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]12 ZINC001164401431 718859811 /nfs/dbraw/zinc/85/98/11/718859811.db2.gz DMCLLJHPAIFPCF-ZWKOTPCHSA-N 1 0 430.886 3.829 20 0 IHADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001164446943 718997723 /nfs/dbraw/zinc/99/77/23/718997723.db2.gz ACNVUAATYQIPNS-LSDHHAIUSA-N 1 0 443.281 3.626 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C)cc(Cl)n1)C2 ZINC001164616130 719009481 /nfs/dbraw/zinc/00/94/81/719009481.db2.gz KLIAHOUJCRWHPI-QRWLVFNGSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164615373 719018491 /nfs/dbraw/zinc/01/84/91/719018491.db2.gz IMLAQEBBGJYITJ-OCBCSQNSSA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)ncc3Cl)CC2)CC1 ZINC001164614678 719023129 /nfs/dbraw/zinc/02/31/29/719023129.db2.gz WPNMXWJRDUPXOI-UHFFFAOYSA-N 1 0 437.318 3.572 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ccc3CN3CCCC3)CC2)CC1 ZINC001164618003 719027977 /nfs/dbraw/zinc/02/79/77/719027977.db2.gz UJEIRNMUPWFRLN-UHFFFAOYSA-N 1 0 435.012 3.575 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(Oc4cccc(OC)c4)n3)CC2)CC1 ZINC001164617872 719029614 /nfs/dbraw/zinc/02/96/14/719029614.db2.gz QOGMOGZQFJTWSC-UHFFFAOYSA-N 1 0 440.544 3.521 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4c(F)cccc4F)nn3)CC2)CC1 ZINC001164617206 719033186 /nfs/dbraw/zinc/03/31/86/719033186.db2.gz JWOHMJMPSFRGEF-UHFFFAOYSA-N 1 0 430.499 3.666 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(-c4cccc(F)c4)cc3C)CC2)CC1 ZINC001164617592 719034347 /nfs/dbraw/zinc/03/43/47/719034347.db2.gz MKFODVRFLCYOKE-UHFFFAOYSA-N 1 0 426.536 3.835 20 0 IHADRO Cc1cc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc(N3CCOCC3)c2s1 ZINC001164621017 719085374 /nfs/dbraw/zinc/08/53/74/719085374.db2.gz GDPIMJGWDLYWQP-IFMALSPDSA-N 1 0 449.624 3.937 20 0 IHADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC001164625968 719095053 /nfs/dbraw/zinc/09/50/53/719095053.db2.gz HTCUYUNGPNPJRF-VQIMIIECSA-N 1 0 439.947 3.509 20 0 IHADRO CCOC(=O)c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C(=O)OCC ZINC001164621625 719114424 /nfs/dbraw/zinc/11/44/24/719114424.db2.gz AJGDCPDXRUMBDX-FPOVZHCZSA-N 1 0 437.540 3.536 20 0 IHADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164620579 719123036 /nfs/dbraw/zinc/12/30/36/719123036.db2.gz ILELBPKFVXOJBE-RDJZCZTQSA-N 1 0 429.609 3.679 20 0 IHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)n1 ZINC001164619507 719124313 /nfs/dbraw/zinc/12/43/13/719124313.db2.gz DSMKBYQUDAXDHW-WMZOPIPTSA-N 1 0 425.577 3.933 20 0 IHADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164631025 719163777 /nfs/dbraw/zinc/16/37/77/719163777.db2.gz ADBJWIOTNRSGTE-DLBZAZTESA-N 1 0 431.519 3.556 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164677482 719561340 /nfs/dbraw/zinc/56/13/40/719561340.db2.gz OFWXTSAIFHZFJW-DHIUTWEWSA-N 1 0 438.616 3.650 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc1 ZINC001164684788 719599522 /nfs/dbraw/zinc/59/95/22/719599522.db2.gz JYVSMKBEKVUNJA-NFBKMPQASA-N 1 0 432.572 3.940 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4ccccc43)CC2)c2ccccc21 ZINC001164681001 719658456 /nfs/dbraw/zinc/65/84/56/719658456.db2.gz LAZSSUAZAQYJAW-FQEVSTJZSA-N 1 0 443.595 3.723 20 0 IHADRO CCOc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680294 719664852 /nfs/dbraw/zinc/66/48/52/719664852.db2.gz FBNZIIQFBWEQSN-FQEVSTJZSA-N 1 0 436.600 3.574 20 0 IHADRO CSc1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686908 719671102 /nfs/dbraw/zinc/67/11/02/719671102.db2.gz YZIHGYUKQBJMKU-IBGZPJMESA-N 1 0 438.641 3.897 20 0 IHADRO CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164695567 719793183 /nfs/dbraw/zinc/79/31/83/719793183.db2.gz MHHUXFAZSQTNAF-UHFFFAOYSA-N 1 0 449.933 3.839 20 0 IHADRO CC1(C)OCc2c1nc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694754 719889931 /nfs/dbraw/zinc/88/99/31/719889931.db2.gz FGPQZAKJPKXEOR-UHFFFAOYSA-N 1 0 434.993 3.828 20 0 IHADRO COc1cc(OC)c2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164705517 719906207 /nfs/dbraw/zinc/90/62/07/719906207.db2.gz CSXGNRPGNKCWGE-UHFFFAOYSA-N 1 0 440.569 3.580 20 0 IHADRO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707549 719907177 /nfs/dbraw/zinc/90/71/77/719907177.db2.gz TYQIBGIRJWFRCC-UHFFFAOYSA-N 1 0 444.935 3.616 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164712961 720099064 /nfs/dbraw/zinc/09/90/64/720099064.db2.gz ZGROUEVRMQLCAC-GOSISDBHSA-N 1 0 427.980 3.521 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164718045 720118015 /nfs/dbraw/zinc/11/80/15/720118015.db2.gz QVINMTQAFCHCEB-NQIIRXRSSA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164719605 720118953 /nfs/dbraw/zinc/11/89/53/720118953.db2.gz ZNODHUVZPSOIGC-GOSISDBHSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cccc(OC)c3n1)CC2 ZINC001164719436 720120409 /nfs/dbraw/zinc/12/04/09/720120409.db2.gz WSUIJXNZBOVUJJ-NRFANRHFSA-N 1 0 433.556 3.541 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164714824 720124486 /nfs/dbraw/zinc/12/44/86/720124486.db2.gz CFESDCOZIJKUKR-QGZVFWFLSA-N 1 0 426.952 3.514 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164713990 720133979 /nfs/dbraw/zinc/13/39/79/720133979.db2.gz USDYAHUGCHDWNE-QGZVFWFLSA-N 1 0 426.952 3.514 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164818170 720166444 /nfs/dbraw/zinc/16/64/44/720166444.db2.gz RYHVNFPQNJFCDN-RXFWQSSRSA-N 1 0 429.568 3.877 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164813018 720171600 /nfs/dbraw/zinc/17/16/00/720171600.db2.gz BOHHUOYNVLWSPF-DVECYGJZSA-N 1 0 435.597 3.938 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)C2 ZINC001164813000 720192253 /nfs/dbraw/zinc/19/22/53/720192253.db2.gz BJEIMSPNZGHBPP-NLFFAJNJSA-N 1 0 438.572 3.771 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164817088 720193613 /nfs/dbraw/zinc/19/36/13/720193613.db2.gz NYELSRUIXJIOIX-JPYJTQIMSA-N 1 0 435.996 3.875 20 0 IHADRO CC(C)c1cc2c(ncnc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)s1 ZINC001164814157 720208437 /nfs/dbraw/zinc/20/84/37/720208437.db2.gz TXYAOPUXUCKHFL-UHFFFAOYSA-N 1 0 426.590 3.622 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3cc(F)c(Cl)cc31)CCC2 ZINC001164817781 720244020 /nfs/dbraw/zinc/24/40/20/720244020.db2.gz UNMFDJNMJZYVRA-UHFFFAOYSA-N 1 0 429.927 3.835 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3ccc(Cl)cc32)CC1 ZINC001164817284 720288743 /nfs/dbraw/zinc/28/87/43/720288743.db2.gz CCKVFRCUSPJJRT-RTBURBONSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)c2Cl)CC1 ZINC001164822616 720298182 /nfs/dbraw/zinc/29/81/82/720298182.db2.gz NNYFPRJPJVOSFG-JKSUJKDBSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ccc(Cl)cc3nc2Cl)CC1 ZINC001164821350 720310263 /nfs/dbraw/zinc/31/02/63/720310263.db2.gz KDTJBLLLXRBDMC-MOPGFXCFSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3cc(Cl)ccc32)CC1 ZINC001164824711 720317825 /nfs/dbraw/zinc/31/78/25/720317825.db2.gz CTSYOTCJGIAOJJ-RTBURBONSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3cccc(Cl)c3)nn2)CC1 ZINC001164827502 720339302 /nfs/dbraw/zinc/33/93/02/720339302.db2.gz MKAQOAPDCIAYJL-FCHUYYIVSA-N 1 0 439.991 3.709 20 0 IHADRO CC(C)c1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)(C)C)n1 ZINC001164823470 720345410 /nfs/dbraw/zinc/34/54/10/720345410.db2.gz GHNDGLOIWIUGBM-LEWJYISDSA-N 1 0 427.637 3.809 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3cc(F)c(Cl)cc32)CC1 ZINC001164825895 720350087 /nfs/dbraw/zinc/35/00/87/720350087.db2.gz JVGIISNTHLYVFT-NHCUHLMSSA-N 1 0 430.955 3.939 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821765 720355767 /nfs/dbraw/zinc/35/57/67/720355767.db2.gz BUJJFZVLHCPMOT-PMACEKPBSA-N 1 0 442.991 3.808 20 0 IHADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722658 720359664 /nfs/dbraw/zinc/35/96/64/720359664.db2.gz GEXDBJUTIISQED-VQTJNVASSA-N 1 0 445.958 3.776 20 0 IHADRO Clc1nc2c(c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)C2 ZINC001164726663 720360100 /nfs/dbraw/zinc/36/01/00/720360100.db2.gz QYANJMKWOPGJIC-GOTSBHOMSA-N 1 0 446.986 3.894 20 0 IHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723106 720370561 /nfs/dbraw/zinc/37/05/61/720370561.db2.gz GESJLMMYRZTOKG-OALUTQOASA-N 1 0 435.553 3.630 20 0 IHADRO C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CCN(c5ccccc5)C4)C3)n2)CC1 ZINC001164820961 720395070 /nfs/dbraw/zinc/39/50/70/720395070.db2.gz DIDOUBMDOWJJOR-HSZRJFAPSA-N 1 0 427.543 3.576 20 0 IHADRO O=C(c1cccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)N1CCc2ccccc21 ZINC001164733795 720434036 /nfs/dbraw/zinc/43/40/36/720434036.db2.gz QBUDQFHOTPYDHK-BJKOFHAPSA-N 1 0 425.536 3.533 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837916 720508477 /nfs/dbraw/zinc/50/84/77/720508477.db2.gz QOYNYWKUEOFBRK-IJEWVQPXSA-N 1 0 434.375 3.839 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)C1 ZINC001164729350 720516234 /nfs/dbraw/zinc/51/62/34/720516234.db2.gz MRDWZIJCVKYAIB-LBPRGKRZSA-N 1 0 441.313 3.876 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(F)c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836080 720516237 /nfs/dbraw/zinc/51/62/37/720516237.db2.gz MFKQDEKTFNBXRQ-HLLBOEOZSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cl)cc3-c3ccncc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841729 720517040 /nfs/dbraw/zinc/51/70/40/720517040.db2.gz ZUCZNOZRSINMOQ-SVFBPWRDSA-N 1 0 437.979 3.766 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)C1 ZINC001164732201 720518894 /nfs/dbraw/zinc/51/88/94/720518894.db2.gz ZVTDFFPITCYZQH-HNNXBMFYSA-N 1 0 432.906 3.736 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842557 720528997 /nfs/dbraw/zinc/52/89/97/720528997.db2.gz YHXMNBXDMIWTHA-SLFFLAALSA-N 1 0 437.979 3.766 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164842558 720529152 /nfs/dbraw/zinc/52/91/52/720529152.db2.gz YHXMNBXDMIWTHA-UFYCRDLUSA-N 1 0 437.979 3.766 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4cccc(F)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840247 720529203 /nfs/dbraw/zinc/52/92/03/720529203.db2.gz SIZJDVXYAWITNO-TXPKVOOTSA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)CC[C@@H]21 ZINC001164841430 720537317 /nfs/dbraw/zinc/53/73/17/720537317.db2.gz VTOHYNSLPMQXEP-HFTRVMKXSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)OC(C)(C)C)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836357 720544091 /nfs/dbraw/zinc/54/40/91/720544091.db2.gz JRDQOPAHPBPASY-PCCBWWKXSA-N 1 0 425.577 3.611 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837380 720548252 /nfs/dbraw/zinc/54/82/52/720548252.db2.gz MCTHPDALFLYFRA-XGHQBKJUSA-N 1 0 440.979 3.866 20 0 IHADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164838026 720557767 /nfs/dbraw/zinc/55/77/67/720557767.db2.gz NJEUHAYCUCTLFN-GVDBMIGSSA-N 1 0 439.938 3.863 20 0 IHADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164838031 720558248 /nfs/dbraw/zinc/55/82/48/720558248.db2.gz NJEUHAYCUCTLFN-YESZJQIVSA-N 1 0 439.938 3.863 20 0 IHADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729656 720559704 /nfs/dbraw/zinc/55/97/04/720559704.db2.gz SHDSMLMOTDCOKI-UHFFFAOYSA-N 1 0 432.906 3.683 20 0 IHADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836350 720567799 /nfs/dbraw/zinc/56/77/99/720567799.db2.gz JPTYXEBVAJRHAF-MIZPHKNDSA-N 1 0 433.556 3.596 20 0 IHADRO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841411 720576468 /nfs/dbraw/zinc/57/64/68/720576468.db2.gz VBGDEGDILKOAPW-BHIFYINESA-N 1 0 425.625 3.677 20 0 IHADRO O=C(c1ccccc1)n1ccc2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc21 ZINC001164736121 720579679 /nfs/dbraw/zinc/57/96/79/720579679.db2.gz DCQWTLNSRXMJJA-UHFFFAOYSA-N 1 0 440.551 3.580 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843562 720583264 /nfs/dbraw/zinc/58/32/64/720583264.db2.gz YEFXMVFHAWLWDJ-UMXIMWEHSA-N 1 0 445.615 3.784 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@@H]21 ZINC001164836707 720594985 /nfs/dbraw/zinc/59/49/85/720594985.db2.gz GOMWQEGUBBRSPO-VYDXJSESSA-N 1 0 446.386 3.906 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@@H]21 ZINC001164844156 720621207 /nfs/dbraw/zinc/62/12/07/720621207.db2.gz ZLVFPOQOQFBGFC-FGSXEWAUSA-N 1 0 438.526 3.996 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838726 720633588 /nfs/dbraw/zinc/63/35/88/720633588.db2.gz LDEUBPRQJGCVKY-QHAWAJNXSA-N 1 0 433.560 3.583 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(F)ccc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164842610 720648448 /nfs/dbraw/zinc/64/84/48/720648448.db2.gz SOUZZQGYRQKXIT-BXWFABGCSA-N 1 0 428.943 3.997 20 0 IHADRO Cc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164738415 720675830 /nfs/dbraw/zinc/67/58/30/720675830.db2.gz JJGDQOGHPZGNAO-RBUKOAKNSA-N 1 0 444.564 3.799 20 0 IHADRO CN(C)C(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164837555 720714915 /nfs/dbraw/zinc/71/49/15/720714915.db2.gz DMSYTWMXIPEPPN-HXUWFJFHSA-N 1 0 442.991 3.697 20 0 IHADRO Cc1cc(Cl)ncc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843500 720742339 /nfs/dbraw/zinc/74/23/39/720742339.db2.gz LQUYWVIVVQBIGV-UHFFFAOYSA-N 1 0 444.917 3.946 20 0 IHADRO Clc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164752619 720815081 /nfs/dbraw/zinc/81/50/81/720815081.db2.gz ZIPOMQICYKLVOQ-XKCSPQBFSA-N 1 0 449.990 3.768 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164737364 720821180 /nfs/dbraw/zinc/82/11/80/720821180.db2.gz AJTOVBZPDKBXFM-SOLBZPMBSA-N 1 0 444.008 3.624 20 0 IHADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746751 720829599 /nfs/dbraw/zinc/82/95/99/720829599.db2.gz YVFVSJBUGJYVPZ-DBXWQHBBSA-N 1 0 437.979 3.563 20 0 IHADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743261 720829754 /nfs/dbraw/zinc/82/97/54/720829754.db2.gz RRYKBSSTYNOERD-LRXVAGHRSA-N 1 0 437.979 3.563 20 0 IHADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739254 720830303 /nfs/dbraw/zinc/83/03/03/720830303.db2.gz HWSFNHUKLBEZPD-JAXLGGSGSA-N 1 0 449.990 3.768 20 0 IHADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164739975 720834281 /nfs/dbraw/zinc/83/42/81/720834281.db2.gz BEYAJYOZWAFEOS-KZNAEPCWSA-N 1 0 436.938 3.559 20 0 IHADRO c1ncn(C[C@H]2C[C@H]3CN(c4ncccc4OCc4ccccc4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749546 720845910 /nfs/dbraw/zinc/84/59/10/720845910.db2.gz WCMSHJHKLVLMMG-RBZQAINGSA-N 1 0 444.583 3.632 20 0 IHADRO CC(C)c1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164742395 720848551 /nfs/dbraw/zinc/84/85/51/720848551.db2.gz GHAGFBWKDVXITB-AWRGLXIESA-N 1 0 431.588 3.724 20 0 IHADRO Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cs1 ZINC001164751998 720865747 /nfs/dbraw/zinc/86/57/47/720865747.db2.gz SCVOSIVDAUMBLO-QGZVFWFLSA-N 1 0 426.920 3.999 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164854816 720867464 /nfs/dbraw/zinc/86/74/64/720867464.db2.gz KVRNAUCXYJAFPB-HNAYVOBHSA-N 1 0 425.907 3.607 20 0 IHADRO CSc1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754946 720889587 /nfs/dbraw/zinc/88/95/87/720889587.db2.gz JXQPKTFTCCMPEE-QPPBQGQZSA-N 1 0 439.629 3.657 20 0 IHADRO c1c[nH]c(-c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)n1 ZINC001164754380 720899393 /nfs/dbraw/zinc/89/93/93/720899393.db2.gz IPRKOEKUMJOPOS-ZEQKJWHPSA-N 1 0 444.583 3.622 20 0 IHADRO Fc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2[nH]ccc21 ZINC001164757883 720901335 /nfs/dbraw/zinc/90/13/35/720901335.db2.gz WBLNTHIFIPQLDF-CJFMBICVSA-N 1 0 435.547 3.852 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)[C@H]2C ZINC001164864816 721009961 /nfs/dbraw/zinc/00/99/61/721009961.db2.gz ZTQJJSNXHJWYHE-SFHVURJKSA-N 1 0 448.571 3.923 20 0 IHADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869516 721049479 /nfs/dbraw/zinc/04/94/79/721049479.db2.gz UCBPQLLVJYURTB-HZPDHXFCSA-N 1 0 429.298 3.808 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C[C@@H]3C2)cn1 ZINC001164771335 721118604 /nfs/dbraw/zinc/11/86/04/721118604.db2.gz SDYHCVZFHYYJNJ-HOTGVXAUSA-N 1 0 432.906 3.520 20 0 IHADRO Clc1ccc2[nH]c3ncnc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3c2c1 ZINC001164877010 721132396 /nfs/dbraw/zinc/13/23/96/721132396.db2.gz NUMTWPOJPAOLDJ-QZTJIDSGSA-N 1 0 434.931 3.639 20 0 IHADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871581 721157762 /nfs/dbraw/zinc/15/77/62/721157762.db2.gz FUCOBLVSMMPFGW-XZOQPEGZSA-N 1 0 429.568 3.710 20 0 IHADRO Fc1ccc(COc2cccnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164874562 721161483 /nfs/dbraw/zinc/16/14/83/721161483.db2.gz KQXXJFXNHQWYCD-XZOQPEGZSA-N 1 0 434.515 3.674 20 0 IHADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164874483 721162585 /nfs/dbraw/zinc/16/25/85/721162585.db2.gz KCCZMJPLFXIWFQ-RTBURBONSA-N 1 0 439.922 3.811 20 0 IHADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164878506 721174159 /nfs/dbraw/zinc/17/41/59/721174159.db2.gz QJGPJYPUHLNKOM-PMACEKPBSA-N 1 0 444.564 3.628 20 0 IHADRO Fc1ccc2nc(C(F)F)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164875454 721174531 /nfs/dbraw/zinc/17/45/31/721174531.db2.gz LPXPISYQCWBJSQ-SJORKVTESA-N 1 0 429.446 3.581 20 0 IHADRO CSc1ccc(Oc2cc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncn2)cc1 ZINC001164768698 721178892 /nfs/dbraw/zinc/17/88/92/721178892.db2.gz LOQBZSXKRLMVTP-RTBURBONSA-N 1 0 436.585 3.683 20 0 IHADRO CSc1ccc(Oc2cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncn2)cc1 ZINC001164768696 721179812 /nfs/dbraw/zinc/17/98/12/721179812.db2.gz LOQBZSXKRLMVTP-RBUKOAKNSA-N 1 0 436.585 3.683 20 0 IHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773411 721198104 /nfs/dbraw/zinc/19/81/04/721198104.db2.gz XDZAPVQIKXTWGW-CEMLEFRQSA-N 1 0 445.615 3.700 20 0 IHADRO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@@H+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164775265 721308603 /nfs/dbraw/zinc/30/86/03/721308603.db2.gz BTIDXTZUVYPYFJ-UHFFFAOYSA-N 1 0 428.964 3.853 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ccoc43)C2)C1 ZINC001164777629 721337603 /nfs/dbraw/zinc/33/76/03/721337603.db2.gz OVCKMSKAYZXUKA-OAQYLSRUSA-N 1 0 431.924 3.600 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1 ZINC001164888628 721352536 /nfs/dbraw/zinc/35/25/36/721352536.db2.gz XQHFHOQYMGAILI-UBFVSLLYSA-N 1 0 448.611 3.996 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)C3)O2)CC1 ZINC001164888553 721390022 /nfs/dbraw/zinc/39/00/22/721390022.db2.gz KBWADQRUUPNJKA-URXFXBBRSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nnc4-c4ccccc4)C3)O2)CC1 ZINC001164891137 721412116 /nfs/dbraw/zinc/41/21/16/721412116.db2.gz VHPOEFZOUCXSFM-GBXCKJPGSA-N 1 0 442.007 3.562 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164887758 721423384 /nfs/dbraw/zinc/42/33/84/721423384.db2.gz NJHOYRVDAZAWDX-GBXCKJPGSA-N 1 0 445.007 3.662 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)C3)O2)CC1 ZINC001164899979 721434779 /nfs/dbraw/zinc/43/47/79/721434779.db2.gz ZRUAUZYNDDLBKE-ZJSXRUAMSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc5cccc(F)c54)C3)O2)CC1 ZINC001164893313 721453572 /nfs/dbraw/zinc/45/35/72/721453572.db2.gz ZBLOMAZUYNGOOA-FDDCHVKYSA-N 1 0 432.971 3.793 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164787814 721455640 /nfs/dbraw/zinc/45/56/40/721455640.db2.gz QSNHKUGKWZLNRH-SFHVURJKSA-N 1 0 448.011 3.654 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(OC(C)(C)C)n1)CC2 ZINC001164784321 721461857 /nfs/dbraw/zinc/46/18/57/721461857.db2.gz HJAZIFDKRDAPPP-NRFANRHFSA-N 1 0 431.621 3.993 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164789278 721465202 /nfs/dbraw/zinc/46/52/02/721465202.db2.gz WJCISRGROJHWPE-KRWDZBQOSA-N 1 0 441.041 3.586 20 0 IHADRO COCc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164897077 721514605 /nfs/dbraw/zinc/51/46/05/721514605.db2.gz DNHYSTOGWVGBDA-JTHBVZDNSA-N 1 0 434.515 3.771 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CC[N@@H+]3C2)c1 ZINC001164899592 721516995 /nfs/dbraw/zinc/51/69/95/721516995.db2.gz LFPYAUXFLCLQDV-PKOBYXMFSA-N 1 0 425.895 3.673 20 0 IHADRO O=C(Nc1ccccc1)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906727 721536088 /nfs/dbraw/zinc/53/60/88/721536088.db2.gz LCIJLIMRIGRMQF-JTHBVZDNSA-N 1 0 432.499 3.815 20 0 IHADRO COc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)c1 ZINC001164907296 721545757 /nfs/dbraw/zinc/54/57/57/721545757.db2.gz MWFPAXJNOMEYRC-PGRDOPGGSA-N 1 0 436.487 3.759 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164908311 721549220 /nfs/dbraw/zinc/54/92/20/721549220.db2.gz PSZUXYAPSOKFOH-HIFRSBDPSA-N 1 0 447.288 3.895 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164908308 721549271 /nfs/dbraw/zinc/54/92/71/721549271.db2.gz PSZUXYAPSOKFOH-DZGCQCFKSA-N 1 0 447.288 3.895 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164908317 721549637 /nfs/dbraw/zinc/54/96/37/721549637.db2.gz PSZUXYAPSOKFOH-ZFWWWQNUSA-N 1 0 447.288 3.895 20 0 IHADRO CC(C)(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2)n1 ZINC001164912308 721549671 /nfs/dbraw/zinc/54/96/71/721549671.db2.gz YSGNMMYEZUQMAP-AZUAARDMSA-N 1 0 437.519 3.910 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)cc3ncnc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164801045 721572350 /nfs/dbraw/zinc/57/23/50/721572350.db2.gz GHPBEZPBIMPCIC-DSKINZAPSA-N 1 0 427.911 3.686 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808596 721576905 /nfs/dbraw/zinc/57/69/05/721576905.db2.gz VEJOPTLOTOJTQL-FHWLQOOXSA-N 1 0 429.996 3.999 20 0 IHADRO CCOC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164903291 721583310 /nfs/dbraw/zinc/58/33/10/721583310.db2.gz KVYKSEMNAHJXPH-QFIPXVFZSA-N 1 0 430.499 3.699 20 0 IHADRO COC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164904160 721586278 /nfs/dbraw/zinc/58/62/78/721586278.db2.gz DKCWVFQCJBMPTI-FQEVSTJZSA-N 1 0 436.890 3.654 20 0 IHADRO FC(F)(c1cnc(Cl)cn1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906668 721586535 /nfs/dbraw/zinc/58/65/35/721586535.db2.gz OGTGXTJZHKRJDN-KRWDZBQOSA-N 1 0 429.849 3.808 20 0 IHADRO CCOC(=O)c1cc(C)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908013 721691399 /nfs/dbraw/zinc/69/13/99/721691399.db2.gz YACQGCUHPFRXBC-JOCHJYFZSA-N 1 0 430.499 3.699 20 0 IHADRO F[C@H](Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904945 721695522 /nfs/dbraw/zinc/69/55/22/721695522.db2.gz ICKSSZKHBKOEJT-RBUKOAKNSA-N 1 0 426.870 3.995 20 0 IHADRO CC(C)(C)C(=O)Nc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164908786 721704043 /nfs/dbraw/zinc/70/40/43/721704043.db2.gz ZKAYTGVOZYVHNJ-JOCHJYFZSA-N 1 0 444.530 3.594 20 0 IHADRO FC1(F)CCN(c2ncnc3cc(Cl)cnc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908259 721711730 /nfs/dbraw/zinc/71/17/30/721711730.db2.gz WTCINEUTGDPGDJ-HXUWFJFHSA-N 1 0 430.890 3.811 20 0 IHADRO FC(F)(c1cncc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904342 721717270 /nfs/dbraw/zinc/71/72/70/721717270.db2.gz BVMZAZQHLPQYNO-QGZVFWFLSA-N 1 0 429.849 3.808 20 0 IHADRO CC(C)(C)NC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906820 721717870 /nfs/dbraw/zinc/71/78/70/721717870.db2.gz ONZDCGREDIHKDX-HSZRJFAPSA-N 1 0 443.542 3.743 20 0 IHADRO Fc1cccc(-c2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164909777 721728695 /nfs/dbraw/zinc/72/86/95/721728695.db2.gz DPULBDVCFLBMPE-QFIPXVFZSA-N 1 0 440.473 3.810 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@H]32)nc1 ZINC001165021767 721782648 /nfs/dbraw/zinc/78/26/48/721782648.db2.gz PKASFGICLMDLHR-WBJOIXBTSA-N 1 0 439.604 3.668 20 0 IHADRO COC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026130 721803949 /nfs/dbraw/zinc/80/39/49/721803949.db2.gz PYGJACPMSPRAFI-QTGUNEKASA-N 1 0 431.540 3.548 20 0 IHADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2ncnc(C3CC3)c2CC1 ZINC001164914796 721804365 /nfs/dbraw/zinc/80/43/65/721804365.db2.gz GOKOEBNJCGZMNX-UHFFFAOYSA-N 1 0 431.918 3.929 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cc5c(cc43)OCCO5)C[C@@H]21 ZINC001165019533 721804726 /nfs/dbraw/zinc/80/47/26/721804726.db2.gz CRLXXKUPBFSHKN-RBDMOPTHSA-N 1 0 431.540 3.533 20 0 IHADRO COC(=O)c1cc2ccncc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021642 721815068 /nfs/dbraw/zinc/81/50/68/721815068.db2.gz FNBVTIULMRFFJM-ZEYPLWLESA-N 1 0 431.540 3.548 20 0 IHADRO CSc1nc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024863 721819112 /nfs/dbraw/zinc/81/91/12/721819112.db2.gz KRWMQHUQNNNATB-UAGQMJEPSA-N 1 0 426.615 3.940 20 0 IHADRO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)no1 ZINC001165024625 721823119 /nfs/dbraw/zinc/82/31/19/721823119.db2.gz KUTMOACAFDGEOD-BWAGFHJFSA-N 1 0 446.555 3.762 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@@H]21 ZINC001165027290 721824019 /nfs/dbraw/zinc/82/40/19/721824019.db2.gz RVLKFVYTXVKETN-RYQLBKOJSA-N 1 0 437.922 3.729 20 0 IHADRO CN(C)C(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)c1 ZINC001165029591 721824941 /nfs/dbraw/zinc/82/49/41/721824941.db2.gz XGCWTLPEQYIQLK-LRQRDZAKSA-N 1 0 427.980 3.569 20 0 IHADRO COC(=O)c1cc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C ZINC001165020689 721830099 /nfs/dbraw/zinc/83/00/99/721830099.db2.gz DFGDGTHQGOHEAL-LDQXTDLNSA-N 1 0 428.964 3.962 20 0 IHADRO CCOC(=O)/C=C\c1cccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022261 721838075 /nfs/dbraw/zinc/83/80/75/721838075.db2.gz QRWVEZBIIGPGEM-QXMHVHEDSA-N 1 0 439.556 3.776 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164929430 721861905 /nfs/dbraw/zinc/86/19/05/721861905.db2.gz QCBVZTYKAKNHIF-HOTGVXAUSA-N 1 0 446.329 3.576 20 0 IHADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164930335 721880998 /nfs/dbraw/zinc/88/09/98/721880998.db2.gz CVSCTYXFIAPLHB-JKSUJKDBSA-N 1 0 427.952 3.618 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164936091 721890316 /nfs/dbraw/zinc/89/03/16/721890316.db2.gz XSYGXQNQVGEEKJ-OALUTQOASA-N 1 0 439.913 3.696 20 0 IHADRO CN(CC1CC[NH+](C)CC1)c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001165040735 721931622 /nfs/dbraw/zinc/93/16/22/721931622.db2.gz LTGXXAFHYCWZOK-UHFFFAOYSA-N 1 0 445.546 3.805 20 0 IHADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955264 722020393 /nfs/dbraw/zinc/02/03/93/722020393.db2.gz CLOLPSALSRHLOD-PLNGDYQASA-N 1 0 431.540 3.637 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)nc1 ZINC001164960983 722030003 /nfs/dbraw/zinc/03/00/03/722030003.db2.gz VHHYRKJTRIYUGC-SRUXOGRHSA-N 1 0 426.536 3.978 20 0 IHADRO Fc1ccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164959449 722053140 /nfs/dbraw/zinc/05/31/40/722053140.db2.gz JORUIOXGIPOFDS-UHFFFAOYSA-N 1 0 441.938 3.936 20 0 IHADRO CCCN(CCC)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncn1 ZINC001164962530 722058151 /nfs/dbraw/zinc/05/81/51/722058151.db2.gz TWKMQMQVIRNHOV-UHFFFAOYSA-N 1 0 438.620 3.617 20 0 IHADRO COc1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164959982 722059955 /nfs/dbraw/zinc/05/99/55/722059955.db2.gz BLFKUTDXGWGZBJ-UHFFFAOYSA-N 1 0 445.567 3.666 20 0 IHADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967316 722076990 /nfs/dbraw/zinc/07/69/90/722076990.db2.gz ATKFAMGXMYYDLW-BGYRXZFFSA-N 1 0 449.624 3.719 20 0 IHADRO Clc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978318 722111062 /nfs/dbraw/zinc/11/10/62/722111062.db2.gz OKNKCYJZTPUXSX-VXKWHMMOSA-N 1 0 449.986 3.843 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983674 722129021 /nfs/dbraw/zinc/12/90/21/722129021.db2.gz YZQXXQCVLPPNEY-SIKLNZKXSA-N 1 0 429.524 3.807 20 0 IHADRO Cc1nc2sc3c(c2c(N2CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C2)n1)CCC3 ZINC001164983807 722138912 /nfs/dbraw/zinc/13/89/12/722138912.db2.gz VFBVSARZKJGMSB-AZUAARDMSA-N 1 0 435.597 3.611 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977010 722139638 /nfs/dbraw/zinc/13/96/38/722139638.db2.gz HNLZJEPFTVWVPC-OALUTQOASA-N 1 0 429.996 3.858 20 0 IHADRO Clc1cccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164974355 722141908 /nfs/dbraw/zinc/14/19/08/722141908.db2.gz DJHCNRUHVZYLFU-OFNKIYASSA-N 1 0 435.959 3.919 20 0 IHADRO Fc1ccc(COc2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164983795 722147106 /nfs/dbraw/zinc/14/71/06/722147106.db2.gz UXZKQHOMRKTZCY-DHLKQENFSA-N 1 0 448.542 3.922 20 0 IHADRO Fc1ccc2c(Cl)nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981666 722150133 /nfs/dbraw/zinc/15/01/33/722150133.db2.gz PYVACZFUNMQJID-JXFKEZNVSA-N 1 0 427.911 3.545 20 0 IHADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973335 722157048 /nfs/dbraw/zinc/15/70/48/722157048.db2.gz LXTSLZOCWZSRCM-LPHOPBHVSA-N 1 0 427.911 3.545 20 0 IHADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973329 722157178 /nfs/dbraw/zinc/15/71/78/722157178.db2.gz LXTSLZOCWZSRCM-APWZRJJASA-N 1 0 427.911 3.545 20 0 IHADRO CCOC(=O)c1cnc(SC)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995661 722191736 /nfs/dbraw/zinc/19/17/36/722191736.db2.gz WSLQNTOWWXCFIR-QFIPXVFZSA-N 1 0 430.549 3.759 20 0 IHADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164997238 722200873 /nfs/dbraw/zinc/20/08/73/722200873.db2.gz XLCSIHDZPUQYCO-QFIPXVFZSA-N 1 0 432.927 3.752 20 0 IHADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)cc(O[C@H]4CCOC4)n2)C3)c1 ZINC001164995032 722212642 /nfs/dbraw/zinc/21/26/42/722212642.db2.gz FNQMGOXROQDTOI-AVRDEDQJSA-N 1 0 432.927 3.682 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Sc1ccc(Cl)nc1)CCC2 ZINC001165004993 722257843 /nfs/dbraw/zinc/25/78/43/722257843.db2.gz ZIGUKQGHIVCFSH-UHFFFAOYSA-N 1 0 431.940 3.558 20 0 IHADRO OC[C@@]1([NH2+]Cc2nnc(-c3cccc(F)c3)o2)CCc2cc(Br)ccc2C1 ZINC001196104765 1126153592 /nfs/dbraw/zinc/15/35/92/1126153592.db2.gz POIDUGOLGCNNHD-HXUWFJFHSA-N 1 0 432.293 3.648 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC001203283817 1126158313 /nfs/dbraw/zinc/15/83/13/1126158313.db2.gz VWQQAKCQHINFIZ-IBGZPJMESA-N 1 0 444.272 3.863 20 0 IHADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC001205425937 1126159372 /nfs/dbraw/zinc/15/93/72/1126159372.db2.gz HQDXLPRVHUNIAB-NRFANRHFSA-N 1 0 428.573 3.839 20 0 IHADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC001198218841 1126154835 /nfs/dbraw/zinc/15/48/35/1126154835.db2.gz KNLBMZNRSQSIQN-GOSISDBHSA-N 1 0 443.832 3.557 20 0 IHADRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)o2)CC1 ZINC001205608351 1126159443 /nfs/dbraw/zinc/15/94/43/1126159443.db2.gz CDJPBSSRAAOXBM-HXUWFJFHSA-N 1 0 432.536 3.670 20 0 IHADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(I)cc1)C(F)(F)F ZINC001308040394 1126162925 /nfs/dbraw/zinc/16/29/25/1126162925.db2.gz VBNFEFGZRZWQIR-JKSUJKDBSA-N 1 0 435.227 3.915 20 0 IHADRO OC[C@@]1([NH2+]Cc2ccn(-c3c(F)cccc3F)n2)CCc2cc(Br)ccc2C1 ZINC001473641195 1126198169 /nfs/dbraw/zinc/19/81/69/1126198169.db2.gz IGRPEVZIIXVHDO-OAQYLSRUSA-N 1 0 448.311 3.923 20 0 IHADRO OC[C@]1([NH2+]Cc2cc(O)ccc2Br)CCc2cc(Br)ccc2C1 ZINC001461625116 1126195412 /nfs/dbraw/zinc/19/54/12/1126195412.db2.gz DCZYDDIYJKOQJD-SFHVURJKSA-N 1 0 441.163 3.927 20 0 IHADRO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001559997051 1126207103 /nfs/dbraw/zinc/20/71/03/1126207103.db2.gz LWKRCAOLWASWAZ-QFIPXVFZSA-N 1 0 426.358 3.953 20 0 IHADRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c(Br)cn1 ZINC001620623691 1126241147 /nfs/dbraw/zinc/24/11/47/1126241147.db2.gz DWXXDPUIKVRVQB-QGZVFWFLSA-N 1 0 444.167 3.699 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC001621057464 1126245568 /nfs/dbraw/zinc/24/55/68/1126245568.db2.gz GDAWJHNXCWHOFM-QGZVFWFLSA-N 1 0 444.167 3.699 20 0 IHADRO Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CC[NH2+]CC2)n1 ZINC000022056134 527004960 /nfs/dbraw/zinc/00/49/60/527004960.db2.gz DOBZFFWLHXORTB-UHFFFAOYSA-N 1 0 443.964 3.609 20 0 in-vitro IHADRO FC(F)(F)[C@H]1N(C(F)(F)Cc2nc3c(ncnc3Cl)s2)CCC12CC[NH2+]CC2 ZINC001164388907 718816284 /nfs/dbraw/zinc/81/62/84/718816284.db2.gz RMJGMOPJTVCXTC-ZDUSSCGKSA-N 1 0 441.857 3.881 20 0 IHADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@@H]3C2)c(Cl)nn1 ZINC001164390500 718826121 /nfs/dbraw/zinc/82/61/21/718826121.db2.gz PGQDFCQOBHPHAK-GDBMZVCRSA-N 1 0 448.823 3.928 20 0 IHADRO COC(=O)c1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164413510 718880293 /nfs/dbraw/zinc/88/02/93/718880293.db2.gz JDYDRPOAQHICEM-LBPRGKRZSA-N 1 0 427.801 3.720 20 0 IHADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(F)C3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164415850 718884021 /nfs/dbraw/zinc/88/40/21/718884021.db2.gz OBNXLQRSMDBTES-KRWDZBQOSA-N 1 0 432.584 3.599 20 0 IHADRO Clc1nc2c(c(N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164422754 718941306 /nfs/dbraw/zinc/94/13/06/718941306.db2.gz BRWUAISBYAMFEN-REWPJTCUSA-N 1 0 431.971 3.764 20 0 IHADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001164446937 718997570 /nfs/dbraw/zinc/99/75/70/718997570.db2.gz ACNVUAATYQIPNS-GJZGRUSLSA-N 1 0 443.281 3.626 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4ccc(OC)cc43)CC2)CC1 ZINC001164618232 719020655 /nfs/dbraw/zinc/02/06/55/719020655.db2.gz RHTSHWUDDCTXQD-UHFFFAOYSA-N 1 0 432.952 3.536 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC2)CC1 ZINC001164617946 719032265 /nfs/dbraw/zinc/03/22/65/719032265.db2.gz QBHASUONXFIZQB-UHFFFAOYSA-N 1 0 449.555 3.837 20 0 IHADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164620324 719048750 /nfs/dbraw/zinc/04/87/50/719048750.db2.gz GEMHVXWMHWZVLT-OXQOHEQNSA-N 1 0 431.874 3.913 20 0 IHADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624940 719083707 /nfs/dbraw/zinc/08/37/07/719083707.db2.gz MBXNIYTUALUDDL-QZTJIDSGSA-N 1 0 448.398 3.721 20 0 IHADRO Cc1cc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc(N3CCOCC3)c2s1 ZINC001164621018 719086117 /nfs/dbraw/zinc/08/61/17/719086117.db2.gz GDPIMJGWDLYWQP-IRLDBZIGSA-N 1 0 449.624 3.937 20 0 IHADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c(Cl)nn2)c1 ZINC001164622391 719125175 /nfs/dbraw/zinc/12/51/75/719125175.db2.gz OSMSYFYQWIYRPZ-BBRMVZONSA-N 1 0 426.870 3.864 20 0 IHADRO Cc1noc([C@@H]2C[C@H]3CCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164648837 719298457 /nfs/dbraw/zinc/29/84/57/719298457.db2.gz GFBRFWUKKAMJIL-WTIAFYNJSA-N 1 0 431.540 3.688 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)CC3CC3)C2)nc1 ZINC001164652093 719326572 /nfs/dbraw/zinc/32/65/72/719326572.db2.gz BGGDCQFVHFKGFV-VRIJDZSUSA-N 1 0 426.605 3.529 20 0 IHADRO COc1cc(Oc2ccnc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164674276 719422240 /nfs/dbraw/zinc/42/22/40/719422240.db2.gz VQRQDXBQLQQPKK-RCZVLFRGSA-N 1 0 447.535 3.981 20 0 IHADRO COc1cccc(-c2nc3ccccc3c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164679626 719645410 /nfs/dbraw/zinc/64/54/10/719645410.db2.gz IYYFPXIWISAWPZ-UHFFFAOYSA-N 1 0 442.567 3.977 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4ccccc4n3)CC2)c2ccccc21 ZINC001164682989 719655285 /nfs/dbraw/zinc/65/52/85/719655285.db2.gz UMOCIVJLXHRKKL-NRFANRHFSA-N 1 0 443.595 3.723 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4ncccc4n3)CC2)c2ccccc21 ZINC001164680059 719665698 /nfs/dbraw/zinc/66/56/98/719665698.db2.gz BDLNAAWXTWPHEN-FQEVSTJZSA-N 1 0 443.595 3.723 20 0 IHADRO CCCc1cncnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680746 719665740 /nfs/dbraw/zinc/66/57/40/719665740.db2.gz HHPYMTPYKDNCJZ-OAQYLSRUSA-N 1 0 435.616 3.523 20 0 IHADRO CSc1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686912 719670757 /nfs/dbraw/zinc/67/07/57/719670757.db2.gz YZIHGYUKQBJMKU-LJQANCHMSA-N 1 0 438.641 3.897 20 0 IHADRO CC(C)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681497 719674575 /nfs/dbraw/zinc/67/45/75/719674575.db2.gz LZWZYZFPGXPIBS-HXUWFJFHSA-N 1 0 435.616 3.693 20 0 IHADRO CCc1cc(CC)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684011 719683297 /nfs/dbraw/zinc/68/32/97/719683297.db2.gz GWNFZADTBIPMCN-FQEVSTJZSA-N 1 0 449.643 3.695 20 0 IHADRO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692155 719812596 /nfs/dbraw/zinc/81/25/96/719812596.db2.gz MNYVGUBNSNXLGQ-UHFFFAOYSA-N 1 0 435.981 3.707 20 0 IHADRO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c2nc(C)n4C)CC3)cs1 ZINC001164691299 719813356 /nfs/dbraw/zinc/81/33/56/719813356.db2.gz FBIMLWZFOBBAQV-UHFFFAOYSA-N 1 0 431.997 3.725 20 0 IHADRO Cn1cc([C@H]2COC3(C2)CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cn1 ZINC001164698859 719825459 /nfs/dbraw/zinc/82/54/59/719825459.db2.gz VMONMXJFMWNFBI-HSZRJFAPSA-N 1 0 443.595 3.917 20 0 IHADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164702821 719886337 /nfs/dbraw/zinc/88/63/37/719886337.db2.gz RAXFQOSFESIHFV-UHFFFAOYSA-N 1 0 435.977 3.845 20 0 IHADRO Nc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696721 719893090 /nfs/dbraw/zinc/89/30/90/719893090.db2.gz HVVBOOIHYWFYRC-UHFFFAOYSA-N 1 0 428.936 3.795 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164716271 720107659 /nfs/dbraw/zinc/10/76/59/720107659.db2.gz KBMBAGJYDNBNDJ-NRFANRHFSA-N 1 0 435.547 3.980 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001164815532 720138553 /nfs/dbraw/zinc/13/85/53/720138553.db2.gz WIXSAJWNPSPPLF-ZHRRBRCNSA-N 1 0 447.942 3.641 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164811560 720140870 /nfs/dbraw/zinc/14/08/70/720140870.db2.gz MLHFUJZENPSIOA-ZHRRBRCNSA-N 1 0 447.942 3.641 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164817117 720148673 /nfs/dbraw/zinc/14/86/73/720148673.db2.gz OAKSETJFAMRIRG-YKSBVNFPSA-N 1 0 426.992 3.906 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(SC)nc(SC)n1)CC2 ZINC001164715309 720155925 /nfs/dbraw/zinc/15/59/25/720155925.db2.gz UNBNZEOVBQIGLH-SFHVURJKSA-N 1 0 445.658 3.823 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164715614 720159418 /nfs/dbraw/zinc/15/94/18/720159418.db2.gz VGXJLDFJRJVNHY-OAQYLSRUSA-N 1 0 447.583 3.849 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164813067 720159874 /nfs/dbraw/zinc/15/98/74/720159874.db2.gz CMBOOPQNWBOWIW-QFQXNSOFSA-N 1 0 435.616 3.805 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164815254 720201596 /nfs/dbraw/zinc/20/15/96/720201596.db2.gz XZYSAUMOCIKSAI-MAUKXSAKSA-N 1 0 434.795 3.883 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccccc3Cl)nn1)CCC2 ZINC001164814635 720229016 /nfs/dbraw/zinc/22/90/16/720229016.db2.gz ZTVPTXNTNDMDJW-UHFFFAOYSA-N 1 0 438.963 3.604 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)CC1 ZINC001164819997 720294732 /nfs/dbraw/zinc/29/47/32/720294732.db2.gz GCYPDLFNWVQYMZ-IAGOWNOFSA-N 1 0 447.357 3.845 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc3c(Cl)ccnc32)CC1 ZINC001164832537 720316423 /nfs/dbraw/zinc/31/64/23/720316423.db2.gz UIEJAVSGJJIRTE-MSOLQXFVSA-N 1 0 448.398 3.848 20 0 IHADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825440 720319890 /nfs/dbraw/zinc/31/98/90/720319890.db2.gz FCHJQURIJMOXGD-SFTDATJTSA-N 1 0 427.980 3.503 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2c(Cl)ncc(Cl)c2Cl)CC1 ZINC001164829473 720321214 /nfs/dbraw/zinc/32/12/14/720321214.db2.gz MQRKNRCDCASGRV-HUUCEWRRSA-N 1 0 431.795 3.953 20 0 IHADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164830071 720328956 /nfs/dbraw/zinc/32/89/56/720328956.db2.gz OMWVRBKJFGDYEG-LEWJYISDSA-N 1 0 442.991 3.808 20 0 IHADRO Cc1cccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164833323 720330070 /nfs/dbraw/zinc/33/00/70/720330070.db2.gz VXXPEVNDNPEGBI-MOPGFXCFSA-N 1 0 427.980 3.503 20 0 IHADRO CCCCOc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164829487 720333087 /nfs/dbraw/zinc/33/30/87/720333087.db2.gz MTBCKCQSCGYZRZ-LEWJYISDSA-N 1 0 435.012 3.825 20 0 IHADRO CCCCOc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164829490 720333278 /nfs/dbraw/zinc/33/32/78/720333278.db2.gz MTBCKCQSCGYZRZ-SFTDATJTSA-N 1 0 435.012 3.825 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3cccc(Cl)c3)nn2)CC1 ZINC001164827504 720339607 /nfs/dbraw/zinc/33/96/07/720339607.db2.gz MKAQOAPDCIAYJL-VXKWHMMOSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cl)c3ccc(Cl)cc32)CC1 ZINC001164821536 720348173 /nfs/dbraw/zinc/34/81/73/720348173.db2.gz APHXHBHRUXQCGV-RBUKOAKNSA-N 1 0 448.398 3.848 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(C(F)F)nc3ccc(F)cc32)CC1 ZINC001164826546 720349891 /nfs/dbraw/zinc/34/98/91/720349891.db2.gz KGTXWKHQBZPQKW-RTBURBONSA-N 1 0 447.505 3.618 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3c(F)cccc23)CC1 ZINC001164831133 720353127 /nfs/dbraw/zinc/35/31/27/720353127.db2.gz XTNAGJAVFHELER-RBUKOAKNSA-N 1 0 430.955 3.939 20 0 IHADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2n1 ZINC001164725230 720355909 /nfs/dbraw/zinc/35/59/09/720355909.db2.gz MSHGLBFQCUYKJQ-VXGBXAGGSA-N 1 0 436.734 3.628 20 0 IHADRO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC ZINC001164723866 720366068 /nfs/dbraw/zinc/36/60/68/720366068.db2.gz HTGXYZLKCPEWJR-ZWKOTPCHSA-N 1 0 425.920 3.549 20 0 IHADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164727592 720433282 /nfs/dbraw/zinc/43/32/82/720433282.db2.gz DLSZXLFWXDTWLU-ZWKOTPCHSA-N 1 0 437.569 3.733 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3F)CC[C@@H]21 ZINC001164832374 720511127 /nfs/dbraw/zinc/51/11/27/720511127.db2.gz AJLAOUXCEHNNRS-VYDXJSESSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835762 720513768 /nfs/dbraw/zinc/51/37/68/720513768.db2.gz LDZZPIKZHZDMMP-SOUVJXGZSA-N 1 0 445.345 3.903 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)CC[C@@H]21 ZINC001164836084 720516266 /nfs/dbraw/zinc/51/62/66/720516266.db2.gz MFKQDEKTFNBXRQ-ZOBUZTSGSA-N 1 0 427.902 3.993 20 0 IHADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834675 720527531 /nfs/dbraw/zinc/52/75/31/720527531.db2.gz HATSHBBLUQIBDH-CEXWTWQISA-N 1 0 445.995 3.794 20 0 IHADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834679 720528265 /nfs/dbraw/zinc/52/82/65/720528265.db2.gz HATSHBBLUQIBDH-GUDVDZBRSA-N 1 0 445.995 3.794 20 0 IHADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164834569 720533296 /nfs/dbraw/zinc/53/32/96/720533296.db2.gz DYQHJYYYCDFDIZ-QNWVGRARSA-N 1 0 433.556 3.596 20 0 IHADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c1 ZINC001164836629 720534798 /nfs/dbraw/zinc/53/47/98/720534798.db2.gz KKPMXRRGIMDNEY-QZNHQXDQSA-N 1 0 433.556 3.596 20 0 IHADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164838556 720540088 /nfs/dbraw/zinc/54/00/88/720540088.db2.gz ONFCJPWYXDYPHN-CMKODMSKSA-N 1 0 445.995 3.794 20 0 IHADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc2c(Cl)ncnc2c1 ZINC001164735531 720545432 /nfs/dbraw/zinc/54/54/32/720545432.db2.gz PALHNUHUDVDEIC-AWEZNQCLSA-N 1 0 425.911 3.739 20 0 IHADRO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2n1 ZINC001164840651 720553324 /nfs/dbraw/zinc/55/33/24/720553324.db2.gz SJYNFRFGIMXHFI-ZIFCJYIRSA-N 1 0 440.979 3.866 20 0 IHADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728051 720571729 /nfs/dbraw/zinc/57/17/29/720571729.db2.gz IISAPVTVZJOWHR-UHFFFAOYSA-N 1 0 432.906 3.683 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC[C@@H]21 ZINC001164835156 720583325 /nfs/dbraw/zinc/58/33/25/720583325.db2.gz AEIHOZZGMVIGAS-KKUMJFAQSA-N 1 0 442.967 3.538 20 0 IHADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C ZINC001164837714 720625774 /nfs/dbraw/zinc/62/57/74/720625774.db2.gz ILNMUWMFEUWWIM-QZNHQXDQSA-N 1 0 431.588 3.730 20 0 IHADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc21 ZINC001164837218 720627797 /nfs/dbraw/zinc/62/77/97/720627797.db2.gz HPUMSVYKCYNLIV-SFYKDHMMSA-N 1 0 433.556 3.596 20 0 IHADRO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)s1 ZINC001164843143 720630619 /nfs/dbraw/zinc/63/06/19/720630619.db2.gz WXDHQXIOYQZGAB-SVFBPWRDSA-N 1 0 437.617 3.791 20 0 IHADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835988 720632391 /nfs/dbraw/zinc/63/23/91/720632391.db2.gz DPHMFPNBURLGBV-RBZQAINGSA-N 1 0 446.599 3.938 20 0 IHADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840968 720663849 /nfs/dbraw/zinc/66/38/49/720663849.db2.gz OJSCVZMVYDAZCN-DGVDTQEHSA-N 1 0 435.568 3.918 20 0 IHADRO Cc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164738412 720676060 /nfs/dbraw/zinc/67/60/60/720676060.db2.gz JJGDQOGHPZGNAO-OALUTQOASA-N 1 0 444.564 3.799 20 0 IHADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740046 720678719 /nfs/dbraw/zinc/67/87/19/720678719.db2.gz PGPFRTDKXBLREF-DLBZAZTESA-N 1 0 431.874 3.565 20 0 IHADRO COC(=O)c1ccc(Cl)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839853 720695028 /nfs/dbraw/zinc/69/50/28/720695028.db2.gz CBFVZDPRSNBUMC-SFHVURJKSA-N 1 0 429.948 3.782 20 0 IHADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840270 720705071 /nfs/dbraw/zinc/70/50/71/720705071.db2.gz OJYLJFSOLDCRMR-AXKWSIDASA-N 1 0 435.568 3.836 20 0 IHADRO C[C@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncn2)C1 ZINC001164838288 720720366 /nfs/dbraw/zinc/72/03/66/720720366.db2.gz HTTDXJXMSIRJFP-JTHBVZDNSA-N 1 0 435.616 3.973 20 0 IHADRO Fc1c(Cl)nccc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844033 720741452 /nfs/dbraw/zinc/74/14/52/720741452.db2.gz ODBYDKNAKDPMFK-UHFFFAOYSA-N 1 0 448.880 3.776 20 0 IHADRO Cc1ccc(-c2nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164740477 720755802 /nfs/dbraw/zinc/75/58/02/720755802.db2.gz LJFVQHMIJKJOJZ-NHCUHLMSSA-N 1 0 438.535 3.737 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(C)cc2c1 ZINC001164747522 720809732 /nfs/dbraw/zinc/80/97/32/720809732.db2.gz OKWOVDOBEUODRJ-PQNGQFLHSA-N 1 0 432.572 3.523 20 0 IHADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(Cl)n1 ZINC001164742214 720811764 /nfs/dbraw/zinc/81/17/64/720811764.db2.gz CMJGJRADMHEQPH-QXAKKESOSA-N 1 0 436.938 3.559 20 0 IHADRO Clc1cc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)ccn1 ZINC001164745631 720818557 /nfs/dbraw/zinc/81/85/57/720818557.db2.gz XKUCUWSMXNUDRV-BHIFYINESA-N 1 0 449.990 3.768 20 0 IHADRO Clc1cc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)ccn1 ZINC001164745633 720818675 /nfs/dbraw/zinc/81/86/75/720818675.db2.gz XKUCUWSMXNUDRV-YPAWHYETSA-N 1 0 449.990 3.768 20 0 IHADRO Clc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(-c2ccccc2)nn1 ZINC001164737696 720829010 /nfs/dbraw/zinc/82/90/10/720829010.db2.gz CBRLPLPETBOGFI-PWRODBHTSA-N 1 0 449.990 3.768 20 0 IHADRO COC[C@]12CCCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164846045 720829651 /nfs/dbraw/zinc/82/96/51/720829651.db2.gz CRWCIXBCWAVOPG-UYAOXDASSA-N 1 0 427.923 3.679 20 0 IHADRO Cc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740549 720839886 /nfs/dbraw/zinc/83/98/86/720839886.db2.gz CSLHBEHXTOVHMC-WSTZPKSXSA-N 1 0 437.979 3.563 20 0 IHADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ncccc4OCc4ccccc4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749559 720845628 /nfs/dbraw/zinc/84/56/28/720845628.db2.gz WCMSHJHKLVLMMG-WXFUMESZSA-N 1 0 444.583 3.632 20 0 IHADRO CC(C)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164742399 720848266 /nfs/dbraw/zinc/84/82/66/720848266.db2.gz GHAGFBWKDVXITB-PQNGQFLHSA-N 1 0 431.588 3.724 20 0 IHADRO CC(C)c1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164742402 720848440 /nfs/dbraw/zinc/84/84/40/720848440.db2.gz GHAGFBWKDVXITB-YZUZCNPQSA-N 1 0 431.588 3.724 20 0 IHADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751859 720856287 /nfs/dbraw/zinc/85/62/87/720856287.db2.gz RDQDORIUOVRHHA-SLFFLAALSA-N 1 0 444.027 3.608 20 0 IHADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749752 720856796 /nfs/dbraw/zinc/85/67/96/720856796.db2.gz OEVUKFPGHIZQLH-KCUHQSDYSA-N 1 0 444.027 3.923 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753062 720857428 /nfs/dbraw/zinc/85/74/28/720857428.db2.gz VUOJMOZQNUBGQF-KIFXHHALSA-N 1 0 447.562 3.562 20 0 IHADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1-c1ccccc1F ZINC001164746098 720858156 /nfs/dbraw/zinc/85/81/56/720858156.db2.gz FQDZAIBBPMPXGC-MIZPHKNDSA-N 1 0 447.562 3.562 20 0 IHADRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164748053 720868097 /nfs/dbraw/zinc/86/80/97/720868097.db2.gz DNLAKNXCFLPPIJ-URXFXBBRSA-N 1 0 442.007 3.897 20 0 IHADRO Cc1nnc(Cl)cc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751532 720879575 /nfs/dbraw/zinc/87/95/75/720879575.db2.gz KUYLDEZTMVMIDS-REWPJTCUSA-N 1 0 427.980 3.589 20 0 IHADRO COc1cc(Cl)ncc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758212 720882599 /nfs/dbraw/zinc/88/25/99/720882599.db2.gz XVIGREDGBPSYOX-HYBUGGRVSA-N 1 0 442.991 3.894 20 0 IHADRO COc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753197 720886348 /nfs/dbraw/zinc/88/63/48/720886348.db2.gz GCYLNCYKYCLMJD-GBXCKJPGSA-N 1 0 442.991 3.894 20 0 IHADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)cc1 ZINC001164859888 720890248 /nfs/dbraw/zinc/89/02/48/720890248.db2.gz MYRIJQKWUDGJSW-RXVVDRJESA-N 1 0 446.979 3.658 20 0 IHADRO Cc1nc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164757455 720891258 /nfs/dbraw/zinc/89/12/58/720891258.db2.gz UZQKPJVFSRAGDN-QPPBQGQZSA-N 1 0 442.007 3.897 20 0 IHADRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)c1Cl ZINC001164755621 720896047 /nfs/dbraw/zinc/89/60/47/720896047.db2.gz MFCKEAJBNHAULY-XUZZJYLKSA-N 1 0 442.007 3.897 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccnc2OC2CCC2)C3)c1 ZINC001164753802 720929870 /nfs/dbraw/zinc/92/98/70/720929870.db2.gz TUUNJZIQUUEBQN-NVQXNPDNSA-N 1 0 449.599 3.558 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)[C@H]2C ZINC001164863442 720971723 /nfs/dbraw/zinc/97/17/23/720971723.db2.gz VMGJDUNKGGDKMI-HNNXBMFYSA-N 1 0 433.000 3.881 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)[C@@H]2C ZINC001164856364 721002532 /nfs/dbraw/zinc/00/25/32/721002532.db2.gz BYDQHTHBZKZQNE-QGZVFWFLSA-N 1 0 434.544 3.533 20 0 IHADRO COc1ccc(CN(C)c2ccnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)n2)cc1 ZINC001164857359 721015748 /nfs/dbraw/zinc/01/57/48/721015748.db2.gz DIJDHWIGOJJNJK-LJQANCHMSA-N 1 0 449.603 3.740 20 0 IHADRO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760651 721044425 /nfs/dbraw/zinc/04/44/25/721044425.db2.gz ZPQNBIFNGRDVJW-UHFFFAOYSA-N 1 0 442.629 3.571 20 0 IHADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866547 721050243 /nfs/dbraw/zinc/05/02/43/721050243.db2.gz FGPHIZYMORHUQC-GJZGRUSLSA-N 1 0 429.298 3.808 20 0 IHADRO Clc1cc2c(Cl)ccnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865183 721082927 /nfs/dbraw/zinc/08/29/27/721082927.db2.gz JLCFOWLQEXYGRA-HOTGVXAUSA-N 1 0 430.339 3.811 20 0 IHADRO Clc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864929 721087235 /nfs/dbraw/zinc/08/72/35/721087235.db2.gz HNVODNLBIWBOPR-SJORKVTESA-N 1 0 430.339 3.811 20 0 IHADRO Clc1cc(Cc2ccccc2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866178 721120715 /nfs/dbraw/zinc/12/07/15/721120715.db2.gz RQWZKYPDXUBWMG-FCHUYYIVSA-N 1 0 435.959 3.596 20 0 IHADRO Cc1cccc(Sc2cncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876519 721125431 /nfs/dbraw/zinc/12/54/31/721125431.db2.gz MYUFBXPYZYPNGO-SFTDATJTSA-N 1 0 433.581 3.811 20 0 IHADRO Fc1ccc(COc2cccnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164874560 721160301 /nfs/dbraw/zinc/16/03/01/721160301.db2.gz KQXXJFXNHQWYCD-GOTSBHOMSA-N 1 0 434.515 3.674 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164764956 721160938 /nfs/dbraw/zinc/16/09/38/721160938.db2.gz INAPEIFDCZOEHG-HOTGVXAUSA-N 1 0 432.906 3.520 20 0 IHADRO Clc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164880982 721169606 /nfs/dbraw/zinc/16/96/06/721169606.db2.gz YMOWYVHLGAAHIB-SJORKVTESA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164768605 721190893 /nfs/dbraw/zinc/19/08/93/721190893.db2.gz LKEWIXLTUWRWFM-DHIUTWEWSA-N 1 0 438.579 3.912 20 0 IHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773413 721196508 /nfs/dbraw/zinc/19/65/08/721196508.db2.gz XDZAPVQIKXTWGW-HJNYFJLDSA-N 1 0 445.615 3.700 20 0 IHADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773412 721197641 /nfs/dbraw/zinc/19/76/41/721197641.db2.gz XDZAPVQIKXTWGW-FCEUIQTBSA-N 1 0 445.615 3.700 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164771913 721206409 /nfs/dbraw/zinc/20/64/09/721206409.db2.gz RYWVKOOREMRBMZ-SJORKVTESA-N 1 0 442.926 3.753 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1 ZINC001164765830 721213982 /nfs/dbraw/zinc/21/39/82/721213982.db2.gz IMFTZDKDWPMPNW-MSOLQXFVSA-N 1 0 426.927 3.628 20 0 IHADRO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164763274 721238930 /nfs/dbraw/zinc/23/89/30/721238930.db2.gz NALTZDGNPLRHRS-RBUKOAKNSA-N 1 0 438.963 3.923 20 0 IHADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164876778 721329594 /nfs/dbraw/zinc/32/95/94/721329594.db2.gz QBRZGWAUFQBCMO-RTWAWAEBSA-N 1 0 445.571 3.944 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4cc(F)ccc43)C2)C1 ZINC001164780041 721342753 /nfs/dbraw/zinc/34/27/53/721342753.db2.gz YTKJRTQMVFZCLR-XMMPIXPASA-N 1 0 439.535 3.801 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164881749 721345738 /nfs/dbraw/zinc/34/57/38/721345738.db2.gz AMZSRTHSQSNZQT-SLSDLSHTSA-N 1 0 426.605 3.530 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1 ZINC001164883767 721352652 /nfs/dbraw/zinc/35/26/52/721352652.db2.gz LSZWLPZGBPNOKS-RBZQAINGSA-N 1 0 434.584 3.606 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)O2)CC1 ZINC001164892814 721384124 /nfs/dbraw/zinc/38/41/24/721384124.db2.gz STWUITKLWMYLNL-APWZRJJASA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892872 721395163 /nfs/dbraw/zinc/39/51/63/721395163.db2.gz UFCZJDYADMWXOK-QPPBQGQZSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892876 721395334 /nfs/dbraw/zinc/39/53/34/721395334.db2.gz UFCZJDYADMWXOK-ZJSXRUAMSA-N 1 0 442.007 3.562 20 0 IHADRO Cc1ccc2nc(Cl)cc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164886155 721401207 /nfs/dbraw/zinc/40/12/07/721401207.db2.gz HVKNIYWPWXZKTD-CYFREDJKSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1ccc2nc(Cl)cc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164886159 721401529 /nfs/dbraw/zinc/40/15/29/721401529.db2.gz HVKNIYWPWXZKTD-DVECYGJZSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897707 721429848 /nfs/dbraw/zinc/42/98/48/721429848.db2.gz UNCGACTXXQSEBV-RCZVLFRGSA-N 1 0 427.637 3.598 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ccc(F)cc31)CC2 ZINC001164786004 721452822 /nfs/dbraw/zinc/45/28/22/721452822.db2.gz LTGGPXZFQLZCKT-HXUWFJFHSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3)nn1)CC2 ZINC001164787860 721453372 /nfs/dbraw/zinc/45/33/72/721453372.db2.gz QYOOHEBDMLCMJD-QHCPKHFHSA-N 1 0 436.600 3.878 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164787765 721454130 /nfs/dbraw/zinc/45/41/30/721454130.db2.gz QGBVEELYVZORSM-IBGZPJMESA-N 1 0 449.039 3.743 20 0 IHADRO CCc1cc2c(ncnc2N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)s1 ZINC001164789313 721459068 /nfs/dbraw/zinc/45/90/68/721459068.db2.gz WVBLVTWWKAUOSY-LJQANCHMSA-N 1 0 444.645 3.988 20 0 IHADRO CCOc1ccc(Cl)nc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164789245 721461441 /nfs/dbraw/zinc/46/14/41/721461441.db2.gz VZWLVVAOAGAQRX-IBGZPJMESA-N 1 0 438.012 3.868 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164787624 721462626 /nfs/dbraw/zinc/46/26/26/721462626.db2.gz RQAQVMMKQIUEEO-HXUWFJFHSA-N 1 0 442.629 3.939 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(OC)ccc3cn1)CC2 ZINC001164786896 721463699 /nfs/dbraw/zinc/46/36/99/721463699.db2.gz QHLZRALWGTVNLZ-QHCPKHFHSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(C)sc31)CC2 ZINC001164789337 721464563 /nfs/dbraw/zinc/46/45/63/721464563.db2.gz XBFXCFWILKGMLV-LJQANCHMSA-N 1 0 430.618 3.734 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164788785 721467378 /nfs/dbraw/zinc/46/73/78/721467378.db2.gz KRPFDJMVUCGXSG-HSZRJFAPSA-N 1 0 436.600 3.878 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164789434 721468873 /nfs/dbraw/zinc/46/88/73/721468873.db2.gz MTKPJFIOEXTGLM-OAQYLSRUSA-N 1 0 439.600 3.977 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164899483 721490633 /nfs/dbraw/zinc/49/06/33/721490633.db2.gz KQJLLZFAXYSWCC-IFMALSPDSA-N 1 0 426.605 3.673 20 0 IHADRO CNC(=O)N[C@@H]1CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)c2ccc(C)cc21 ZINC001164897175 721493109 /nfs/dbraw/zinc/49/31/09/721493109.db2.gz BXATWGSBKGGLDW-HSZRJFAPSA-N 1 0 433.600 3.898 20 0 IHADRO COc1cc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c(OC)c1 ZINC001164792023 721496868 /nfs/dbraw/zinc/49/68/68/721496868.db2.gz KACZJTKRXPASTJ-UHFFFAOYSA-N 1 0 433.556 3.923 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164897627 721502250 /nfs/dbraw/zinc/50/22/50/721502250.db2.gz NLDUJFMOTHXGRL-FGZHOGPDSA-N 1 0 428.621 3.776 20 0 IHADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164897169 721512348 /nfs/dbraw/zinc/51/23/48/721512348.db2.gz DWPONMGKLPGUGO-GXTWGEPZSA-N 1 0 433.261 3.809 20 0 IHADRO CSc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164896318 721514245 /nfs/dbraw/zinc/51/42/45/721514245.db2.gz AZFICAIFSOWYEJ-ZFWWWQNUSA-N 1 0 444.910 3.878 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CC[N@@H+]3C2)c1 ZINC001164899589 721517119 /nfs/dbraw/zinc/51/71/19/721517119.db2.gz LFPYAUXFLCLQDV-MJGOQNOKSA-N 1 0 425.895 3.673 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)ncc4Cl)CC[N@@H+]3C2)c1 ZINC001164897652 721522315 /nfs/dbraw/zinc/52/23/15/721522315.db2.gz GEAABIIWZHZQPU-JSGCOSHPSA-N 1 0 433.261 3.809 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908634 721535738 /nfs/dbraw/zinc/53/57/38/721535738.db2.gz PWAZMXWUTDJTCH-WBVHZDCISA-N 1 0 428.895 3.773 20 0 IHADRO COc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164908330 721538288 /nfs/dbraw/zinc/53/82/88/721538288.db2.gz PTKNJVMBTOMTJW-RDJZCZTQSA-N 1 0 428.895 3.773 20 0 IHADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164908225 721551013 /nfs/dbraw/zinc/55/10/13/721551013.db2.gz PZUQXICYCMKRMU-UYAOXDASSA-N 1 0 428.508 3.910 20 0 IHADRO COC(=O)C[C@H](c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164911262 721551170 /nfs/dbraw/zinc/55/11/70/721551170.db2.gz YMXSYHNTPSTZJM-PUHATCMVSA-N 1 0 439.531 3.619 20 0 IHADRO COc1cc2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OC ZINC001164809928 721558561 /nfs/dbraw/zinc/55/85/61/721558561.db2.gz YHGIEGKZXKFDJO-ZFGGDYGUSA-N 1 0 434.540 3.515 20 0 IHADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164908649 721561207 /nfs/dbraw/zinc/56/12/07/721561207.db2.gz RKJITXGOXGMAAB-CTNGQTDRSA-N 1 0 431.515 3.508 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808606 721576939 /nfs/dbraw/zinc/57/69/39/721576939.db2.gz VEJOPTLOTOJTQL-QYZOEREBSA-N 1 0 429.996 3.999 20 0 IHADRO FC1(F)CCN(c2nnc(Cl)c3ccncc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908436 721586963 /nfs/dbraw/zinc/58/69/63/721586963.db2.gz ZFHZEHDDWSFSRC-HXUWFJFHSA-N 1 0 430.890 3.811 20 0 IHADRO F[C@@H](Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904947 721695549 /nfs/dbraw/zinc/69/55/49/721695549.db2.gz ICKSSZKHBKOEJT-RTBURBONSA-N 1 0 426.870 3.995 20 0 IHADRO CC(C)N(C)Cc1nnc2n1CCCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001165010789 721706083 /nfs/dbraw/zinc/70/60/83/721706083.db2.gz MIWRFIUFPORAJX-UHFFFAOYSA-N 1 0 429.572 3.927 20 0 IHADRO Nc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907327 721707445 /nfs/dbraw/zinc/70/74/45/721707445.db2.gz QYNZFYHFJSPJFQ-GOSISDBHSA-N 1 0 443.876 3.995 20 0 IHADRO CSc1nc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2s1 ZINC001164904838 721716158 /nfs/dbraw/zinc/71/61/58/721716158.db2.gz DHGCLOZXDDUXLQ-LJQANCHMSA-N 1 0 448.568 3.941 20 0 IHADRO Nc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164908531 721722269 /nfs/dbraw/zinc/72/22/69/721722269.db2.gz XPQGSLDYQHNLIY-GOSISDBHSA-N 1 0 443.876 3.995 20 0 IHADRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccccn2)n1 ZINC001164904372 721723363 /nfs/dbraw/zinc/72/33/63/721723363.db2.gz CPPBXADMLWGSFA-HSZRJFAPSA-N 1 0 436.510 3.980 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC001165011574 721734096 /nfs/dbraw/zinc/73/40/96/721734096.db2.gz RIWNAIKHSRSVQC-UHFFFAOYSA-N 1 0 435.597 3.881 20 0 IHADRO [O-][n+]1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1Cl ZINC001164912627 721738355 /nfs/dbraw/zinc/73/83/55/721738355.db2.gz OYOSLRFWYMTJFH-SFHVURJKSA-N 1 0 444.860 3.651 20 0 IHADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC001165010572 721744903 /nfs/dbraw/zinc/74/49/03/721744903.db2.gz OSCZIAJPBYEXEO-UHFFFAOYSA-N 1 0 435.597 3.881 20 0 IHADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010915 721746089 /nfs/dbraw/zinc/74/60/89/721746089.db2.gz QRKWPQZJSNPDMU-UHFFFAOYSA-N 1 0 427.980 3.628 20 0 IHADRO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025119 721803865 /nfs/dbraw/zinc/80/38/65/721803865.db2.gz NPGLQHFDPVRXFB-ZEYPLWLESA-N 1 0 431.540 3.548 20 0 IHADRO COc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165027170 721804929 /nfs/dbraw/zinc/80/49/29/721804929.db2.gz TZYWMHONVANZDV-XJABCFGWSA-N 1 0 433.556 3.779 20 0 IHADRO COc1cc(OC)c2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165022173 721831406 /nfs/dbraw/zinc/83/14/06/721831406.db2.gz GMHYZGSCSHXMLD-WTOYTKOKSA-N 1 0 433.556 3.779 20 0 IHADRO CCOC(=O)c1ccc(C)c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165017947 721837693 /nfs/dbraw/zinc/83/76/93/721837693.db2.gz SMIBSQRZJCBSNZ-UHFFFAOYSA-N 1 0 427.545 3.685 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nnc(Cl)c3ccncc32)CC1 ZINC001165020496 721838898 /nfs/dbraw/zinc/83/88/98/721838898.db2.gz JQVBAZUPVYTLBI-UHFFFAOYSA-N 1 0 427.936 3.796 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(C(=O)OC(C)(C)C)n2)CC1 ZINC001165020302 721841872 /nfs/dbraw/zinc/84/18/72/721841872.db2.gz BYUWZZRMCMWHFY-UHFFFAOYSA-N 1 0 442.560 3.550 20 0 IHADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)n2)cc1 ZINC001164930476 721856401 /nfs/dbraw/zinc/85/64/01/721856401.db2.gz SDSLVOBMAWNPLJ-XZOQPEGZSA-N 1 0 435.547 3.659 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164930313 721880962 /nfs/dbraw/zinc/88/09/62/721880962.db2.gz CVSCTYXFIAPLHB-CVEARBPZSA-N 1 0 427.952 3.618 20 0 IHADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164933992 721890247 /nfs/dbraw/zinc/89/02/47/721890247.db2.gz NVUTVPVZDUZRMK-MOPGFXCFSA-N 1 0 439.913 3.696 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H](CC(=O)NC4CCC4)OC[C@@H]3C2)nc1 ZINC001164931197 721897796 /nfs/dbraw/zinc/89/77/96/721897796.db2.gz DMPOGXSOIPYFGM-RBVMOCNTSA-N 1 0 440.632 3.919 20 0 IHADRO C[N@H+](Cc1ccc(N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)nc1)C1CC1 ZINC001164928212 721899097 /nfs/dbraw/zinc/89/90/97/721899097.db2.gz MSCFNSGGQSPSKZ-AREMUKBSSA-N 1 0 427.552 3.811 20 0 IHADRO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940151 721928040 /nfs/dbraw/zinc/92/80/40/721928040.db2.gz QSEGZZLUIJYPFV-LUAWRHEFSA-N 1 0 435.568 3.838 20 0 IHADRO COC(=O)c1cc2c[nH]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)cc-2n1 ZINC001164939008 721929734 /nfs/dbraw/zinc/92/97/34/721929734.db2.gz GQKMNBAKBATIIJ-UHFFFAOYSA-N 1 0 434.540 3.529 20 0 IHADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1C ZINC001165048084 721975297 /nfs/dbraw/zinc/97/52/97/721975297.db2.gz IYABLLZCRNNZNX-FQEVSTJZSA-N 1 0 443.661 3.985 20 0 IHADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCCC[C@H]2CC[NH+]2CCCC2)cnc1Cl ZINC001165047881 721979409 /nfs/dbraw/zinc/97/94/09/721979409.db2.gz BHSPYOBBNHTDQC-INIZCTEOSA-N 1 0 435.968 3.918 20 0 IHADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955265 722020668 /nfs/dbraw/zinc/02/06/68/722020668.db2.gz CLOLPSALSRHLOD-SNAWJCMRSA-N 1 0 431.540 3.637 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)nc1 ZINC001164956133 722035132 /nfs/dbraw/zinc/03/51/32/722035132.db2.gz CCZNAGQRSAARLJ-JQYIIUTOSA-N 1 0 433.600 3.946 20 0 IHADRO O=C(c1ccco1)N1CC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164956645 722046763 /nfs/dbraw/zinc/04/67/63/722046763.db2.gz CDGCDKDXMIPWQW-GMAHTHKFSA-N 1 0 428.536 3.584 20 0 IHADRO Fc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963851 722055583 /nfs/dbraw/zinc/05/55/83/722055583.db2.gz OADVCSKZZDBBOO-UHFFFAOYSA-N 1 0 440.897 3.933 20 0 IHADRO O=C(NC1CCC1)C1C[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164973359 722084762 /nfs/dbraw/zinc/08/47/62/722084762.db2.gz NOYSBJAAHPTGLE-DHIUTWEWSA-N 1 0 430.596 3.771 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1 ZINC001164974172 722090777 /nfs/dbraw/zinc/09/07/77/722090777.db2.gz NKPMCRMDUOPVED-ILWGZMRPSA-N 1 0 440.613 3.628 20 0 IHADRO Fc1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981651 722103463 /nfs/dbraw/zinc/10/34/63/722103463.db2.gz LUTLSHCEIPORJU-JXFKEZNVSA-N 1 0 427.911 3.545 20 0 IHADRO Clc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164979894 722104297 /nfs/dbraw/zinc/10/42/97/722104297.db2.gz IFWNHMBYHODYKR-OFNKIYASSA-N 1 0 435.959 3.919 20 0 IHADRO Cc1nc2c3ccccc3oc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983676 722128964 /nfs/dbraw/zinc/12/89/64/722128964.db2.gz YZQXXQCVLPPNEY-UGKGYDQZSA-N 1 0 429.524 3.807 20 0 IHADRO c1ccc(COc2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164981137 722133163 /nfs/dbraw/zinc/13/31/63/722133163.db2.gz OQPFGBGGIYWFSD-BJKOFHAPSA-N 1 0 430.552 3.783 20 0 IHADRO CC(C)(C)c1noc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164977070 722135981 /nfs/dbraw/zinc/13/59/81/722135981.db2.gz IKXZNUJXJPVJLF-SFTDATJTSA-N 1 0 448.571 3.551 20 0 IHADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)CC2 ZINC001164992027 722187741 /nfs/dbraw/zinc/18/77/41/722187741.db2.gz RJAYRBZAFDBUCA-YADHBBJMSA-N 1 0 428.621 3.730 20 0 IHADRO COC(=O)c1c(Cl)cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1OC ZINC001164993786 722206777 /nfs/dbraw/zinc/20/67/77/722206777.db2.gz BLWABBUOGZODPH-QFIPXVFZSA-N 1 0 433.911 3.914 20 0 IHADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1=O ZINC001164996351 722206835 /nfs/dbraw/zinc/20/68/35/722206835.db2.gz UHXRYHXVCDKHGT-HSZRJFAPSA-N 1 0 443.954 3.878 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001165000378 722220415 /nfs/dbraw/zinc/22/04/15/722220415.db2.gz WRHHSVPNTDQGLU-QFQXNSOFSA-N 1 0 448.567 3.991 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165001415 722249870 /nfs/dbraw/zinc/24/98/70/722249870.db2.gz QBLLORIIRXFFNR-PXDATVDWSA-N 1 0 438.572 3.733 20 0 IHADRO COc1cc2cnc(Cl)cc2cc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165005017 722258179 /nfs/dbraw/zinc/25/81/79/722258179.db2.gz ZXEZWVQYXLYPQJ-UHFFFAOYSA-N 1 0 429.952 3.582 20 0 IHADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000467382724 1126094640 /nfs/dbraw/zinc/09/46/40/1126094640.db2.gz BRRUNUIYLDUCSV-HNNXBMFYSA-N 1 0 428.168 3.795 20 0 IHADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc(Br)c1OC(F)F ZINC000500244115 1126095261 /nfs/dbraw/zinc/09/52/61/1126095261.db2.gz OHELBVMGPJHUOT-CQSZACIVSA-N 1 0 434.252 3.891 20 0 IHADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000522537962 1126095921 /nfs/dbraw/zinc/09/59/21/1126095921.db2.gz OTOQAEXZPGGEQV-GOSISDBHSA-N 1 0 425.330 3.809 20 0 IHADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001176586657 1126149460 /nfs/dbraw/zinc/14/94/60/1126149460.db2.gz DTYAOLVIRZYXDP-JOCHJYFZSA-N 1 0 433.390 3.918 20 0 IHADRO Cc1nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)sc1Br ZINC001171949746 1126148730 /nfs/dbraw/zinc/14/87/30/1126148730.db2.gz YLNSGECMJISWHX-INIZCTEOSA-N 1 0 446.208 3.986 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)cc1OC ZINC001179520222 1126152464 /nfs/dbraw/zinc/15/24/64/1126152464.db2.gz IEONXMFJPCCXQT-OAQYLSRUSA-N 1 0 437.462 3.693 20 0 IHADRO OC[C@]1([NH2+]Cc2nnc(-c3cccc(F)c3)o2)CCc2cc(Br)ccc2C1 ZINC001196104763 1126153511 /nfs/dbraw/zinc/15/35/11/1126153511.db2.gz POIDUGOLGCNNHD-FQEVSTJZSA-N 1 0 432.293 3.648 20 0 IHADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@@H](CO)Cc2ccccc2)cc1Br ZINC001308379015 1126165619 /nfs/dbraw/zinc/16/56/19/1126165619.db2.gz SBBWCHYVGUANDR-RHSMWYFYSA-N 1 0 426.326 3.963 20 0 IHADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC001308480110 1126167002 /nfs/dbraw/zinc/16/70/02/1126167002.db2.gz RCOPBEZWPIXRAP-OAQYLSRUSA-N 1 0 436.346 3.702 20 0 IHADRO CN(C)c1nc(Cl)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001308863457 1126168537 /nfs/dbraw/zinc/16/85/37/1126168537.db2.gz BQBINODMRIGVCA-QGZVFWFLSA-N 1 0 430.799 3.635 20 0 IHADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c(F)ccc(I)c1F ZINC001461201734 1126193650 /nfs/dbraw/zinc/19/36/50/1126193650.db2.gz GHFKQCSHGSOLTC-LBPRGKRZSA-N 1 0 442.247 3.744 20 0 IHADRO OC[C@]1([NH2+]Cc2cccnc2Br)CCc2cc(Br)ccc2C1 ZINC001461625826 1126195414 /nfs/dbraw/zinc/19/54/14/1126195414.db2.gz CCUVODJGHGTHNS-KRWDZBQOSA-N 1 0 426.152 3.616 20 0 IHADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001474226560 1126203199 /nfs/dbraw/zinc/20/31/99/1126203199.db2.gz HGVBBLHPRVTCAP-LJQANCHMSA-N 1 0 426.738 3.957 20 0 IHADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001474227120 1126203414 /nfs/dbraw/zinc/20/34/14/1126203414.db2.gz QOBWEOBJUFKLIA-HSZRJFAPSA-N 1 0 447.601 3.528 20 0 IHADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001560102219 1126208033 /nfs/dbraw/zinc/20/80/33/1126208033.db2.gz IPJDLHNVFPDVMM-VWLOTQADSA-N 1 0 439.577 3.920 20 0 IHADRO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@](C)(CO)Cc1ccc(Cl)cc1)n2CC ZINC001560183857 1126209673 /nfs/dbraw/zinc/20/96/73/1126209673.db2.gz YOGOQGMNBJUSJZ-QHCPKHFHSA-N 1 0 429.948 3.970 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ncc(Br)cc1F ZINC001620623941 1126241306 /nfs/dbraw/zinc/24/13/06/1126241306.db2.gz KSOLDZBZHQTSPQ-INIZCTEOSA-N 1 0 432.131 3.829 20 0 IHADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1Cl ZINC001620623735 1126241413 /nfs/dbraw/zinc/24/14/13/1126241413.db2.gz FUXVFKDXTJQTNP-LJQANCHMSA-N 1 0 426.738 3.972 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001620624083 1126241690 /nfs/dbraw/zinc/24/16/90/1126241690.db2.gz OBOVBCNQNLDNMK-SFHVURJKSA-N 1 0 448.329 3.529 20 0 IHADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)[C@H](O)C1 ZINC001621039971 1126245334 /nfs/dbraw/zinc/24/53/34/1126245334.db2.gz GFASFNMOTQTXMT-HZPDHXFCSA-N 1 0 425.501 3.548 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)cc1OC ZINC001621057870 1126245729 /nfs/dbraw/zinc/24/57/29/1126245729.db2.gz WJKQVEDXWPLSSL-HSZRJFAPSA-N 1 0 431.533 3.529 20 0 IHADRO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 ZINC000012594818 522017471 /nfs/dbraw/zinc/01/74/71/522017471.db2.gz WVUCJPOLVOIVIR-IBGZPJMESA-N 1 0 441.626 3.777 20 0 IHADRO FC(F)(F)[C@H]1N(c2ncnc3c2CCN(Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164387985 718814475 /nfs/dbraw/zinc/81/44/75/718814475.db2.gz LHLDFSKFSXEMCS-NRFANRHFSA-N 1 0 431.506 3.546 20 0 IHADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164388145 718814676 /nfs/dbraw/zinc/81/46/76/718814676.db2.gz MLGNXUADPNTSHT-CQSZACIVSA-N 1 0 427.801 3.577 20 0 IHADRO Clc1nc2c(c(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164422748 718940896 /nfs/dbraw/zinc/94/08/96/718940896.db2.gz BRWUAISBYAMFEN-NZQKXSOJSA-N 1 0 431.971 3.764 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164617494 719007535 /nfs/dbraw/zinc/00/75/35/719007535.db2.gz OJNWNPWVMVFNFH-LIRRHRJNSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164617419 719008654 /nfs/dbraw/zinc/00/86/54/719008654.db2.gz NZOFZJRMKXWCRR-IFXJQAMLSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164617421 719008670 /nfs/dbraw/zinc/00/86/70/719008670.db2.gz NZOFZJRMKXWCRR-KUHUBIRLSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C)cc(Cl)n1)C2 ZINC001164616131 719009256 /nfs/dbraw/zinc/00/92/56/719009256.db2.gz KLIAHOUJCRWHPI-YWZLYKJASA-N 1 0 427.923 3.738 20 0 IHADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626207 719044546 /nfs/dbraw/zinc/04/45/46/719044546.db2.gz QZDMGMYJRRRJLK-LAUBAEHRSA-N 1 0 433.934 3.859 20 0 IHADRO c1ccc(CN2CCc3ncnc(N4CC[C@@]5(C[NH2+]C[C@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618812 719044627 /nfs/dbraw/zinc/04/46/27/719044627.db2.gz BUAPQYFYBNXPJA-RPLLCQBOSA-N 1 0 425.580 3.618 20 0 IHADRO COc1ccccc1-c1cc(C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c(Cl)nn1 ZINC001164620605 719126408 /nfs/dbraw/zinc/12/64/08/719126408.db2.gz IZJWOMUFFZCODC-DOMZBBRYSA-N 1 0 426.870 3.864 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)CC3CC3)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164652089 719326492 /nfs/dbraw/zinc/32/64/92/719326492.db2.gz BGGDCQFVHFKGFV-IYXIZZNPSA-N 1 0 426.605 3.529 20 0 IHADRO Cc1nc(CN2C(=O)CCC23CCN(c2ncccc2C[NH+]2CCCC2)CC3)cs1 ZINC001164684575 719594659 /nfs/dbraw/zinc/59/46/59/719594659.db2.gz IDHVWAWLOZYKER-UHFFFAOYSA-N 1 0 425.602 3.604 20 0 IHADRO COc1ccc(Oc2nc(Cl)ncc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164680991 719651678 /nfs/dbraw/zinc/65/16/78/719651678.db2.gz KULBATYMJDZKPY-UHFFFAOYSA-N 1 0 442.951 3.603 20 0 IHADRO Cc1nc2ccoc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164679981 719654989 /nfs/dbraw/zinc/65/49/89/719654989.db2.gz BRIRROWJMUJCHU-IBGZPJMESA-N 1 0 447.583 3.625 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(Cl)cn3)CC2)c2ccccc21 ZINC001164684116 719658396 /nfs/dbraw/zinc/65/83/96/719658396.db2.gz WGUJTQGOYWMUEN-GOSISDBHSA-N 1 0 426.992 3.828 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nncc4ccccc43)CC2)c2ccccc21 ZINC001164681369 719662589 /nfs/dbraw/zinc/66/25/89/719662589.db2.gz MOBZUHWHCLXHQQ-NRFANRHFSA-N 1 0 443.595 3.723 20 0 IHADRO Cc1nc(Cl)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683456 719670389 /nfs/dbraw/zinc/67/03/89/719670389.db2.gz RXUKFTCPDSLYSV-GOSISDBHSA-N 1 0 442.007 3.532 20 0 IHADRO Fc1cccnc1N(c1nc(Cl)ccc1CN1CCCC1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690747 719760041 /nfs/dbraw/zinc/76/00/41/719760041.db2.gz HTTQRCPUBUOBOB-VGOFRKELSA-N 1 0 431.943 3.524 20 0 IHADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccc2C(=O)N2CCCC2)CC3)cs1 ZINC001164691753 719803406 /nfs/dbraw/zinc/80/34/06/719803406.db2.gz JRCWZQLKZVFHEI-UHFFFAOYSA-N 1 0 425.602 3.718 20 0 IHADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695293 719886772 /nfs/dbraw/zinc/88/67/72/719886772.db2.gz LROVKTSTAZQRIV-BQYQJAHWSA-N 1 0 427.570 3.591 20 0 IHADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1Cl ZINC001164810385 720091265 /nfs/dbraw/zinc/09/12/65/720091265.db2.gz LKFLRHIBODARRX-BTYIYWSLSA-N 1 0 442.387 3.750 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nccc(Cl)n1)CC2 ZINC001164712715 720099477 /nfs/dbraw/zinc/09/94/77/720099477.db2.gz YLNBUZGYRCXEGF-KRWDZBQOSA-N 1 0 437.922 3.577 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3Cc1ccccc1)C2 ZINC001164807333 720126169 /nfs/dbraw/zinc/12/61/69/720126169.db2.gz BXRUXGFHBLCELC-GJZUVCINSA-N 1 0 431.584 3.664 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nccnc1Cl)CC2 ZINC001164712192 720136952 /nfs/dbraw/zinc/13/69/52/720136952.db2.gz KVCOMZULYCBXCV-KRWDZBQOSA-N 1 0 437.922 3.577 20 0 IHADRO CCCSc1cncc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714792 720146716 /nfs/dbraw/zinc/14/67/16/720146716.db2.gz ZEVBQTLRISCYOZ-FQEVSTJZSA-N 1 0 427.618 3.881 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164818386 720153894 /nfs/dbraw/zinc/15/38/94/720153894.db2.gz SLNIGSINRMCRIT-RDTXWAMCSA-N 1 0 435.346 3.599 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164812396 720179037 /nfs/dbraw/zinc/17/90/37/720179037.db2.gz AFVRQBSBZFWQHH-SQJMNOBHSA-N 1 0 425.548 3.984 20 0 IHADRO Cc1ccc2cc(Cl)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164714488 720190647 /nfs/dbraw/zinc/19/06/47/720190647.db2.gz FYHOVFYBACDIOT-FQEVSTJZSA-N 1 0 440.979 3.541 20 0 IHADRO Cc1ccc2c(C)cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2c1C ZINC001164717195 720199024 /nfs/dbraw/zinc/19/90/24/720199024.db2.gz USJNVSIWXFOWPL-QFIPXVFZSA-N 1 0 434.588 3.505 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc3cc(F)ccc31)CCC2 ZINC001164811494 720208155 /nfs/dbraw/zinc/20/81/55/720208155.db2.gz IRGXFHNFOHUQKO-UHFFFAOYSA-N 1 0 429.927 3.835 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(C(C)(C)C)sc31)CCC2 ZINC001164814101 720216578 /nfs/dbraw/zinc/21/65/78/720216578.db2.gz TVYSODPCUSXJGI-UHFFFAOYSA-N 1 0 440.617 3.796 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3cccc(Cl)c3)nn1)CCC2 ZINC001164814524 720236475 /nfs/dbraw/zinc/23/64/75/720236475.db2.gz XAEVZGUXMRZCLF-UHFFFAOYSA-N 1 0 438.963 3.604 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nnc2-c2ccccc2)CC1 ZINC001164823826 720319300 /nfs/dbraw/zinc/31/93/00/720319300.db2.gz BJMXQGGMSDLRJB-PMACEKPBSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC001164829427 720328054 /nfs/dbraw/zinc/32/80/54/720328054.db2.gz LVHNTQSOMQEWIS-FCHUYYIVSA-N 1 0 439.991 3.709 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828933 720334531 /nfs/dbraw/zinc/33/45/31/720334531.db2.gz KRGPJDQBNSTTOH-OALUTQOASA-N 1 0 445.011 3.577 20 0 IHADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829864 720334839 /nfs/dbraw/zinc/33/48/39/720334839.db2.gz OIGFSWKAZZOHGS-XZOQPEGZSA-N 1 0 425.621 3.744 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3cccc(Cl)c3)nn2)CC1 ZINC001164827503 720339514 /nfs/dbraw/zinc/33/95/14/720339514.db2.gz MKAQOAPDCIAYJL-FGZHOGPDSA-N 1 0 439.991 3.709 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3cc(F)c(Cl)cc32)CC1 ZINC001164825893 720350371 /nfs/dbraw/zinc/35/03/71/720350371.db2.gz JVGIISNTHLYVFT-LEWJYISDSA-N 1 0 430.955 3.939 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822865 720351781 /nfs/dbraw/zinc/35/17/81/720351781.db2.gz FZWZIDVZWAUQMP-DHIUTWEWSA-N 1 0 437.563 3.503 20 0 IHADRO Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1-c1ccccc1F ZINC001164829526 720352377 /nfs/dbraw/zinc/35/23/77/720352377.db2.gz SKADRLWVRIMUSC-VXKWHMMOSA-N 1 0 437.563 3.503 20 0 IHADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723103 720369723 /nfs/dbraw/zinc/36/97/23/720369723.db2.gz GESJLMMYRZTOKG-MOPGFXCFSA-N 1 0 435.553 3.630 20 0 IHADRO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)O2)n1 ZINC001164832047 720404208 /nfs/dbraw/zinc/40/42/08/720404208.db2.gz YJEKGJIKLDZTED-VABKMULXSA-N 1 0 431.540 3.830 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840011 720510547 /nfs/dbraw/zinc/51/05/47/720510547.db2.gz VTMUZNKMJIRCMY-IJEWVQPXSA-N 1 0 445.345 3.903 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@@H]21 ZINC001164833985 720511524 /nfs/dbraw/zinc/51/15/24/720511524.db2.gz DZMBPEZTBLSFNP-KKUMJFAQSA-N 1 0 445.345 3.903 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc(F)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837920 720514805 /nfs/dbraw/zinc/51/48/05/720514805.db2.gz QPYOOSHGTDKMDI-OXFYSEKESA-N 1 0 428.943 3.997 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3ccc(F)c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836082 720515912 /nfs/dbraw/zinc/51/59/12/720515912.db2.gz MFKQDEKTFNBXRQ-YQQAZPJKSA-N 1 0 427.902 3.993 20 0 IHADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)C1 ZINC001164726083 720516901 /nfs/dbraw/zinc/51/69/01/720516901.db2.gz AMZNEMFOFRPCPD-LBPRGKRZSA-N 1 0 441.313 3.876 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)COc3ccnc(Cl)c3)CC[C@@H]21 ZINC001164834647 720539274 /nfs/dbraw/zinc/53/92/74/720539274.db2.gz FOGMFBWHRDJKND-AOIWGVFYSA-N 1 0 439.938 3.777 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)ccc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835889 720540183 /nfs/dbraw/zinc/54/01/83/720540183.db2.gz IXRFFCWGALFQFP-YQQAZPJKSA-N 1 0 427.902 3.993 20 0 IHADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccccc21 ZINC001164837366 720541009 /nfs/dbraw/zinc/54/10/09/720541009.db2.gz MBGMVRNFPBGERN-YOSAUDMPSA-N 1 0 447.583 3.986 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836576 720542518 /nfs/dbraw/zinc/54/25/18/720542518.db2.gz KCFWHUYXHVHAJP-RLFYNMQTSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ccc3CN3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842938 720557212 /nfs/dbraw/zinc/55/72/12/720557212.db2.gz ZBQGBADJDQKXPI-FDFHNCONSA-N 1 0 443.039 3.905 20 0 IHADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164838029 720557326 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Clc1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1Cl ZINC001164866176 721118121 /nfs/dbraw/zinc/11/81/21/721118121.db2.gz RPYZIWWIKVYXQE-HZPDHXFCSA-N 1 0 430.339 3.811 20 0 IHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164873651 721125382 /nfs/dbraw/zinc/12/53/82/721125382.db2.gz JUSRXNPEVMIITQ-DLBZAZTESA-N 1 0 433.890 3.636 20 0 IHADRO c1ccc(-c2nc3ccccc3c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)nc1 ZINC001164879576 721143162 /nfs/dbraw/zinc/14/31/62/721143162.db2.gz UBGCVXZTNDALDE-LEWJYISDSA-N 1 0 438.535 3.567 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164764962 721160070 /nfs/dbraw/zinc/16/00/70/721160070.db2.gz INAPEIFDCZOEHG-JKSUJKDBSA-N 1 0 432.906 3.520 20 0 IHADRO Fc1ccc2nc(C(F)F)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164875450 721175326 /nfs/dbraw/zinc/17/53/26/721175326.db2.gz LPXPISYQCWBJSQ-IAGOWNOFSA-N 1 0 429.446 3.581 20 0 IHADRO Clc1ncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Oc2ccccc2)n1 ZINC001164881173 721184508 /nfs/dbraw/zinc/18/45/08/721184508.db2.gz ZMXCQZUKEFKPIW-ICSRJNTNSA-N 1 0 437.931 3.797 20 0 IHADRO Cc1nc2sc3c(c2c(N2C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C2)n1)CCCCC3 ZINC001164762692 721202129 /nfs/dbraw/zinc/20/21/29/721202129.db2.gz DDKGXXMBMHLMKL-RBUKOAKNSA-N 1 0 436.629 3.960 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164765834 721214732 /nfs/dbraw/zinc/21/47/32/721214732.db2.gz IMFTZDKDWPMPNW-QZTJIDSGSA-N 1 0 426.927 3.628 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164762593 721223078 /nfs/dbraw/zinc/22/30/78/721223078.db2.gz CWMSIRPUTAKKCC-RTBURBONSA-N 1 0 447.568 3.552 20 0 IHADRO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764586 721239157 /nfs/dbraw/zinc/23/91/57/721239157.db2.gz OWNVMDJYUCBASE-MOPGFXCFSA-N 1 0 438.963 3.923 20 0 IHADRO C[N@H+](Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872033 721258645 /nfs/dbraw/zinc/25/86/45/721258645.db2.gz CPMSCUXPXPVGGL-ZEQKJWHPSA-N 1 0 434.584 3.624 20 0 IHADRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@@H+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164779364 721324368 /nfs/dbraw/zinc/32/43/68/721324368.db2.gz XKJUWMWLFBEXMC-UHFFFAOYSA-N 1 0 439.947 3.653 20 0 IHADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4ccc(F)cc43)C2)C1 ZINC001164778184 721343312 /nfs/dbraw/zinc/34/33/12/721343312.db2.gz KCDAOLHEZJJEIQ-DEOSSOPVSA-N 1 0 439.535 3.801 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1 ZINC001164888621 721352421 /nfs/dbraw/zinc/35/24/21/721352421.db2.gz XQHFHOQYMGAILI-ISJGIBHGSA-N 1 0 448.611 3.996 20 0 IHADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ccn4C(C)C)C2)C1 ZINC001164785028 721362787 /nfs/dbraw/zinc/36/27/87/721362787.db2.gz RUQAFIHYDXKCSP-XMMPIXPASA-N 1 0 438.576 3.736 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164892161 721384759 /nfs/dbraw/zinc/38/47/59/721384759.db2.gz RXWKOSYCRDBLCS-QFBILLFUSA-N 1 0 449.373 3.699 20 0 IHADRO c1csc(CN2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164781630 721403018 /nfs/dbraw/zinc/40/30/18/721403018.db2.gz CIKBOWPUGRSMDA-VXKWHMMOSA-N 1 0 431.609 3.665 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)O2)CC1 ZINC001164890953 721410034 /nfs/dbraw/zinc/41/00/34/721410034.db2.gz UTEMSNVJSINWCM-BEFAXECRSA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(Cl)ncc(Cl)c4Cl)C3)O2)CC1 ZINC001164887233 721414372 /nfs/dbraw/zinc/41/43/72/721414372.db2.gz LPQLFQWBPRJLAK-IFXJQAMLSA-N 1 0 433.811 3.807 20 0 IHADRO Cc1ccc(F)c2cc(C)c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc12 ZINC001164891979 721421406 /nfs/dbraw/zinc/42/14/06/721421406.db2.gz XMMIKNWVBJNSLM-NLFFAJNJSA-N 1 0 426.580 3.756 20 0 IHADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2c(Cl)cccc12 ZINC001164889509 721426011 /nfs/dbraw/zinc/42/60/11/721426011.db2.gz BFCNAVCCTIGGMS-DVECYGJZSA-N 1 0 429.008 3.962 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896828 721433447 /nfs/dbraw/zinc/43/34/47/721433447.db2.gz SDMPUUOCFHNJPQ-JPYJTQIMSA-N 1 0 436.044 3.501 20 0 IHADRO CC(C)c1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894863 721441450 /nfs/dbraw/zinc/44/14/50/721441450.db2.gz MTAMQYJBSLLIQG-CJFMBICVSA-N 1 0 429.653 3.663 20 0 IHADRO Cc1cccc2cc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164894403 721447706 /nfs/dbraw/zinc/44/77/06/721447706.db2.gz MBDKRDZMOGALGR-YKSBVNFPSA-N 1 0 429.008 3.962 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164787524 721461767 /nfs/dbraw/zinc/46/17/67/721461767.db2.gz RFBWWBZOQNRNRJ-IBGZPJMESA-N 1 0 432.996 3.902 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164787620 721462393 /nfs/dbraw/zinc/46/23/93/721462393.db2.gz RQAQVMMKQIUEEO-FQEVSTJZSA-N 1 0 442.629 3.939 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164786632 721464720 /nfs/dbraw/zinc/46/47/20/721464720.db2.gz ORPNXOAUONFKCW-HXUWFJFHSA-N 1 0 428.552 3.503 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164790669 721465579 /nfs/dbraw/zinc/46/55/79/721465579.db2.gz UINCCOHXTXLEQU-QHCPKHFHSA-N 1 0 436.600 3.878 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(C(C)(C)C)n1)CC2 ZINC001164789916 721468302 /nfs/dbraw/zinc/46/83/02/721468302.db2.gz PDKQYWCTYOTAAB-NRFANRHFSA-N 1 0 430.637 3.816 20 0 IHADRO CCc1nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c(Cl)nc1C ZINC001164790053 721473404 /nfs/dbraw/zinc/47/34/04/721473404.db2.gz QNTNBWWYUFQQNS-IBGZPJMESA-N 1 0 437.028 3.735 20 0 IHADRO COC(=O)c1ccc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164793780 721491441 /nfs/dbraw/zinc/49/14/41/721491441.db2.gz VWCMQJLWSLOWPV-UHFFFAOYSA-N 1 0 431.540 3.692 20 0 IHADRO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)cc-2n1 ZINC001164792929 721494899 /nfs/dbraw/zinc/49/48/99/721494899.db2.gz VNJIHLZDSMNCGM-UHFFFAOYSA-N 1 0 449.555 3.634 20 0 IHADRO Cc1nc2c(nc(Cl)nc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1C ZINC001164795361 721499531 /nfs/dbraw/zinc/49/95/31/721499531.db2.gz GBZJVPBWMAVDME-UHFFFAOYSA-N 1 0 425.968 3.601 20 0 IHADRO COc1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164904715 721539776 /nfs/dbraw/zinc/53/97/76/721539776.db2.gz GBCFYCIQPPVDTJ-HOCLYGCPSA-N 1 0 427.854 3.770 20 0 IHADRO Cc1nc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(Cl)c1C ZINC001164908093 721542194 /nfs/dbraw/zinc/54/21/94/721542194.db2.gz OQEZZRMYRPYBOE-NVXWUHKLSA-N 1 0 426.870 3.773 20 0 IHADRO COc1cc2c(cc1Cl)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807332 721555820 /nfs/dbraw/zinc/55/58/20/721555820.db2.gz SSBOIFLELHOAHW-ONTIZHBOSA-N 1 0 439.947 3.555 20 0 IHADRO Cc1nc(C)c(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)s1 ZINC001164903599 721561749 /nfs/dbraw/zinc/56/17/49/721561749.db2.gz CWSXVIKLUDOFCG-MJGOQNOKSA-N 1 0 425.533 3.698 20 0 IHADRO COC(=O)c1cc(Cl)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907100 721585361 /nfs/dbraw/zinc/58/53/61/721585361.db2.gz ROAGDIOELGQYTB-HXUWFJFHSA-N 1 0 436.890 3.654 20 0 IHADRO FC1(F)CCN(c2nc(Cl)nc3ncccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904897 721691940 /nfs/dbraw/zinc/69/19/40/721691940.db2.gz HNLLXKCTFKFRNE-HXUWFJFHSA-N 1 0 430.890 3.811 20 0 IHADRO F[C@@H](Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907809 721703654 /nfs/dbraw/zinc/70/36/54/721703654.db2.gz UJLLHMRJZFDVFQ-MOPGFXCFSA-N 1 0 426.870 3.995 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cc5c(cc43)OCCO5)C[C@H]21 ZINC001165019536 721804664 /nfs/dbraw/zinc/80/46/64/721804664.db2.gz CRLXXKUPBFSHKN-UCNVEGJOSA-N 1 0 431.540 3.533 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)C[C@@H]21 ZINC001165026345 721804837 /nfs/dbraw/zinc/80/48/37/721804837.db2.gz QUPWMBYMEKBIPB-YSIASYRMSA-N 1 0 438.576 3.956 20 0 IHADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1OCC ZINC001165027294 721811249 /nfs/dbraw/zinc/81/12/49/721811249.db2.gz UAESLACHSSLURF-BWAGFHJFSA-N 1 0 438.572 3.789 20 0 IHADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@@H]21 ZINC001165019092 721824299 /nfs/dbraw/zinc/82/42/99/721824299.db2.gz AVYRMKNCIKWDPC-CWRNSKLLSA-N 1 0 447.921 3.635 20 0 IHADRO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165019906 721831329 /nfs/dbraw/zinc/83/13/29/721831329.db2.gz CKPGAFDPBXUMNQ-YXJHDRRASA-N 1 0 437.922 3.815 20 0 IHADRO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165019909 721831401 /nfs/dbraw/zinc/83/14/01/721831401.db2.gz CKPGAFDPBXUMNQ-ZVZYQTTQSA-N 1 0 437.922 3.815 20 0 IHADRO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)n1 ZINC001165029696 721831620 /nfs/dbraw/zinc/83/16/20/721831620.db2.gz XMRZVHKHMRNPNC-USXIJHARSA-N 1 0 437.922 3.815 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2SCC3)CC1 ZINC001165022141 721839936 /nfs/dbraw/zinc/83/99/36/721839936.db2.gz PPGHJUPZWRVSCW-UHFFFAOYSA-N 1 0 434.993 3.896 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@@H]3C2)nc1 ZINC001164931205 721897709 /nfs/dbraw/zinc/89/77/09/721897709.db2.gz DONVHXAZJWRJNX-MLDBQTBOSA-N 1 0 426.605 3.529 20 0 IHADRO c1ccc(-c2ncc3c(n2)[C@@]2(CCN(c4ncccc4C[NH+]4CCCC4)C2)COC3)cc1 ZINC001164927511 721899043 /nfs/dbraw/zinc/89/90/43/721899043.db2.gz IWAIIUJJPBPXDD-AREMUKBSSA-N 1 0 427.552 3.813 20 0 IHADRO COc1cc2ncc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc2cc1OC ZINC001164940417 721925455 /nfs/dbraw/zinc/92/54/55/721925455.db2.gz PZGRPUASELKGMP-UHFFFAOYSA-N 1 0 448.567 3.827 20 0 IHADRO COC(=O)CSc1cccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939511 721929648 /nfs/dbraw/zinc/92/96/48/721929648.db2.gz LVDUKTJZFHCEDO-UHFFFAOYSA-N 1 0 441.597 3.527 20 0 IHADRO Fc1ccccc1N1CCN(c2cc(N3CCCC[C@H]3CC[NH+]3CCCC3)ncn2)CC1 ZINC001165048731 721976101 /nfs/dbraw/zinc/97/61/01/721976101.db2.gz KXCMXRRGOGSQDE-NRFANRHFSA-N 1 0 438.595 3.787 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1 ZINC001164948230 721981002 /nfs/dbraw/zinc/98/10/02/721981002.db2.gz KDVPKPUIFIHFBQ-XMMPIXPASA-N 1 0 447.627 3.600 20 0 IHADRO c1ccc2c(c1)[nH]c1ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c21 ZINC001164963900 722056642 /nfs/dbraw/zinc/05/66/42/722056642.db2.gz PONCPCCWIPOOAO-UHFFFAOYSA-N 1 0 428.540 3.625 20 0 IHADRO c1ccc(COc2cnnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)cc1 ZINC001164964208 722057339 /nfs/dbraw/zinc/05/73/39/722057339.db2.gz TUBNHZPKELTQNY-UHFFFAOYSA-N 1 0 445.567 3.570 20 0 IHADRO Fc1ccc(-c2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164960680 722060418 /nfs/dbraw/zinc/06/04/18/722060418.db2.gz HHCVURQSQUCRFD-UHFFFAOYSA-N 1 0 433.531 3.797 20 0 IHADRO Fc1cc2ncc(Cl)nc2cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959967 722060589 /nfs/dbraw/zinc/06/05/89/722060589.db2.gz AVHVVNMSPTUNRQ-UHFFFAOYSA-N 1 0 441.938 3.936 20 0 IHADRO c1cc(C[N@H+]2CCOCC3(CCN(c4cncc(OCC5CCCC5)n4)CC3)C2)ccn1 ZINC001164966704 722061829 /nfs/dbraw/zinc/06/18/29/722061829.db2.gz WZOQLHJQNZPDFI-UHFFFAOYSA-N 1 0 437.588 3.560 20 0 IHADRO c1cncc(-c2nc3sc4c(c3c(N3C[C@@H]5C[N@H+](CC6CC6)C[C@H](C3)O5)n2)CCCC4)c1 ZINC001164967499 722075423 /nfs/dbraw/zinc/07/54/23/722075423.db2.gz SAQLEANTWORNGR-KDURUIRLSA-N 1 0 447.608 3.932 20 0 IHADRO Fc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164978354 722113298 /nfs/dbraw/zinc/11/32/98/722113298.db2.gz OLSVFDMGUYOWPW-QAPCUYQASA-N 1 0 426.870 3.541 20 0 IHADRO Fc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164978346 722113835 /nfs/dbraw/zinc/11/38/35/722113835.db2.gz OLSVFDMGUYOWPW-CRAIPNDOSA-N 1 0 426.870 3.541 20 0 IHADRO Clc1cccc(-c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164983239 722118949 /nfs/dbraw/zinc/11/89/49/722118949.db2.gz YRMBKHAGSYDUTJ-SIKLNZKXSA-N 1 0 435.959 3.919 20 0 IHADRO c1ccc(COc2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164981142 722133477 /nfs/dbraw/zinc/13/34/77/722133477.db2.gz OQPFGBGGIYWFSD-RPWUZVMVSA-N 1 0 430.552 3.783 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977968 722137245 /nfs/dbraw/zinc/13/72/45/722137245.db2.gz IYFICSFXAGTSBC-ICSRJNTNSA-N 1 0 440.979 3.788 20 0 IHADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979668 722137564 /nfs/dbraw/zinc/13/75/64/722137564.db2.gz LSDGEKKSBKTKQH-FPOVZHCZSA-N 1 0 439.560 3.551 20 0 IHADRO FC(F)c1nc2ccccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975205 722146476 /nfs/dbraw/zinc/14/64/76/722146476.db2.gz FRXRRAAMLMWXCW-YLJYHZDGSA-N 1 0 425.483 3.690 20 0 IHADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980948 722146491 /nfs/dbraw/zinc/14/64/91/722146491.db2.gz OAUPTISWGLZOBL-IERDGZPVSA-N 1 0 427.911 3.545 20 0 IHADRO FC(F)c1nc2ccccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975204 722146650 /nfs/dbraw/zinc/14/66/50/722146650.db2.gz FRXRRAAMLMWXCW-XLIONFOSSA-N 1 0 425.483 3.690 20 0 IHADRO CCN(c1ccccc1)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164973178 722149436 /nfs/dbraw/zinc/14/94/36/722149436.db2.gz BIZWWDOPEXKWFK-UPVQGACJSA-N 1 0 444.583 3.757 20 0 IHADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973895 722153824 /nfs/dbraw/zinc/15/38/24/722153824.db2.gz NMGDSDWGXHNNLX-GBXCKJPGSA-N 1 0 433.531 3.713 20 0 IHADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972585 722156609 /nfs/dbraw/zinc/15/66/09/722156609.db2.gz INBNXMCXPFFSKZ-WMZOPIPTSA-N 1 0 440.947 3.995 20 0 IHADRO CN(C)c1nc(-c2ccccc2)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994442 722202754 /nfs/dbraw/zinc/20/27/54/722202754.db2.gz HCCWHOCENIMTEA-VWLOTQADSA-N 1 0 432.547 3.989 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001165000379 722220280 /nfs/dbraw/zinc/22/02/80/722220280.db2.gz WRHHSVPNTDQGLU-RLWLMLJZSA-N 1 0 448.567 3.991 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CCC2 ZINC001165003740 722255787 /nfs/dbraw/zinc/25/57/87/722255787.db2.gz GVWSTGHOXDCGIF-UHFFFAOYSA-N 1 0 428.625 3.757 20 0 IHADRO CSc1cnc(Cl)c(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165002683 722256033 /nfs/dbraw/zinc/25/60/33/722256033.db2.gz SMOZBQISBCRQIZ-UHFFFAOYSA-N 1 0 445.967 3.687 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3ccc(Cl)nn3)ccc1F)CCC2 ZINC001165003496 722257187 /nfs/dbraw/zinc/25/71/87/722257187.db2.gz FGSNNZCATLSHBY-UHFFFAOYSA-N 1 0 444.942 3.621 20 0 IHADRO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)cs1 ZINC001165006278 722273036 /nfs/dbraw/zinc/27/30/36/722273036.db2.gz MZBJRMFAGNBTLL-NRFANRHFSA-N 1 0 428.602 3.787 20 0 IHADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000523840177 1126095924 /nfs/dbraw/zinc/09/59/24/1126095924.db2.gz XJKYXTGDRVONQV-MRXNPFEDSA-N 1 0 431.330 3.785 20 0 IHADRO OC[C@]1([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCc2cc(Br)ccc2C1 ZINC001179148811 1126151484 /nfs/dbraw/zinc/15/14/84/1126151484.db2.gz WFQFAZXCMOSUFR-NRFANRHFSA-N 1 0 430.321 3.784 20 0 IHADRO Cc1c(Br)cncc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001179147687 1126151542 /nfs/dbraw/zinc/15/15/42/1126151542.db2.gz IYIXANMJZLKQNY-SFHVURJKSA-N 1 0 440.179 3.925 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(OC)c(Br)cc2F)cc1OC ZINC001203579021 1126158742 /nfs/dbraw/zinc/15/87/42/1126158742.db2.gz BWZSGSHARSBANT-HXUWFJFHSA-N 1 0 442.325 3.697 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)cnc2Cl)cc1OC ZINC001203580039 1126158831 /nfs/dbraw/zinc/15/88/31/1126158831.db2.gz GJKGKSIGLNNUFD-GOSISDBHSA-N 1 0 429.742 3.598 20 0 IHADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC001198218842 1126154819 /nfs/dbraw/zinc/15/48/19/1126154819.db2.gz KNLBMZNRSQSIQN-SFHVURJKSA-N 1 0 443.832 3.557 20 0 IHADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC001308514642 1126167842 /nfs/dbraw/zinc/16/78/42/1126167842.db2.gz VSYDVCAHKNCCFK-OAQYLSRUSA-N 1 0 430.346 3.931 20 0 IHADRO Cc1cc(-c2noc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)n2)ccc1F ZINC001460421661 1126191230 /nfs/dbraw/zinc/19/12/30/1126191230.db2.gz HOPQZSZRWJQJMT-NRFANRHFSA-N 1 0 446.320 3.956 20 0 IHADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc(F)c2I)cc1 ZINC001461734496 1126196685 /nfs/dbraw/zinc/19/66/85/1126196685.db2.gz DBBDUVBAIPEWLB-SFHVURJKSA-N 1 0 429.273 3.522 20 0 IHADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474115199 1126201887 /nfs/dbraw/zinc/20/18/87/1126201887.db2.gz ZZZQSIHPBXTBII-SFTDATJTSA-N 1 0 428.573 3.839 20 0 IHADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)on2)C1 ZINC001621486850 1126246712 /nfs/dbraw/zinc/24/67/12/1126246712.db2.gz FHVIOPQWSMRGGQ-QFIPXVFZSA-N 1 0 435.952 3.746 20 0 IHADRO OC[C@]1([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CCc2cc(Br)ccc2C1 ZINC001621004701 1126244210 /nfs/dbraw/zinc/24/42/10/1126244210.db2.gz GYBHMZLNOXKHIA-YADHBBJMSA-N 1 0 432.358 3.626 20 0 IHADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001164389377 718814910 /nfs/dbraw/zinc/81/49/10/718814910.db2.gz VTGLTNJWFZLCQJ-AWEZNQCLSA-N 1 0 427.801 3.577 20 0 IHADRO c1sc2nc(-c3cccnc3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1-c1ccccc1 ZINC001164405067 718839392 /nfs/dbraw/zinc/83/93/92/718839392.db2.gz OVQWBXYOJCTQFL-IBGZPJMESA-N 1 0 428.565 3.514 20 0 IHADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccccc3C(F)(F)F)c1)C2 ZINC001164405712 718854096 /nfs/dbraw/zinc/85/40/96/718854096.db2.gz MFLNHPMNFGCKSY-SCLBCKFNSA-N 1 0 447.835 3.984 20 0 IHADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccccc3C(F)(F)F)c1)C2 ZINC001164405713 718854175 /nfs/dbraw/zinc/85/41/75/718854175.db2.gz MFLNHPMNFGCKSY-UGSOOPFHSA-N 1 0 447.835 3.984 20 0 IHADRO c1sc2nc(CN3CCCCC3)nc(N3CCOCC34C[NH2+]C4)c2c1-c1ccccc1 ZINC001164401741 718860424 /nfs/dbraw/zinc/86/04/24/718860424.db2.gz HUDAGCLGAKJZJD-UHFFFAOYSA-N 1 0 435.597 3.523 20 0 IHADRO Fc1cccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)cnc2Cl)c1 ZINC001164416186 718885639 /nfs/dbraw/zinc/88/56/39/718885639.db2.gz TYKUHWOHKQTLLW-UHFFFAOYSA-N 1 0 448.880 3.776 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C)nc(Cl)c1)C2 ZINC001164619690 719006885 /nfs/dbraw/zinc/00/68/85/719006885.db2.gz WTULNNTYJUAWFW-OXJNMPFZSA-N 1 0 427.923 3.738 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164617483 719007477 /nfs/dbraw/zinc/00/74/77/719007477.db2.gz OJNWNPWVMVFNFH-AUUYWEPGSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164617842 719008901 /nfs/dbraw/zinc/00/89/01/719008901.db2.gz QEOAPFVUYRSZRT-HNAYVOBHSA-N 1 0 431.886 3.568 20 0 IHADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164615371 719018201 /nfs/dbraw/zinc/01/82/01/719018201.db2.gz IMLAQEBBGJYITJ-IGNZVWTISA-N 1 0 439.865 3.816 20 0 IHADRO CCOC(=O)c1cc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc2ccccc21 ZINC001164613882 719025775 /nfs/dbraw/zinc/02/57/75/719025775.db2.gz ITMUWCOIYJKUJS-UHFFFAOYSA-N 1 0 439.556 3.655 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(Cl)c(OC)cc43)CC2)CC1 ZINC001164618658 719027367 /nfs/dbraw/zinc/02/73/67/719027367.db2.gz ZGTBIAZZKBQSCV-UHFFFAOYSA-N 1 0 432.952 3.536 20 0 IHADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3ccn4Cc3ccccc3)CC2)CC1 ZINC001164616340 719027915 /nfs/dbraw/zinc/02/79/15/719027915.db2.gz BBVPWSPHMBVIHP-UHFFFAOYSA-N 1 0 447.583 3.724 20 0 IHADRO c1ccc(CN2CCc3ncnc(N4CC[C@]5(C[NH2+]C[C@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618810 719044501 /nfs/dbraw/zinc/04/45/01/719044501.db2.gz BUAPQYFYBNXPJA-IGKIAQTJSA-N 1 0 425.580 3.618 20 0 IHADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164619337 719048759 /nfs/dbraw/zinc/04/87/59/719048759.db2.gz CRFCVXXPJNAOIV-OXQOHEQNSA-N 1 0 436.890 3.955 20 0 IHADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(Cl)n3)CC2)c2ccccc21 ZINC001164681835 719656017 /nfs/dbraw/zinc/65/60/17/719656017.db2.gz RNNKVBGBRLYGKE-SFHVURJKSA-N 1 0 426.992 3.828 20 0 IHADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3nnc(COc4ccccn4)n3CC2)nc1 ZINC001164686492 719687323 /nfs/dbraw/zinc/68/73/23/719687323.db2.gz NTXGZWCLBYHWEI-NRFANRHFSA-N 1 0 447.587 3.647 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CC2 ZINC001164686329 719715077 /nfs/dbraw/zinc/71/50/77/719715077.db2.gz ZRXVFGGPWFVNRI-UHFFFAOYSA-N 1 0 441.579 3.991 20 0 IHADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164689883 719751165 /nfs/dbraw/zinc/75/11/65/719751165.db2.gz NPBGNOQQQYPWHA-UHFFFAOYSA-N 1 0 449.933 3.523 20 0 IHADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C(=O)N(C)C)cc2Cl)CC3)cs1 ZINC001164692122 719814157 /nfs/dbraw/zinc/81/41/57/719814157.db2.gz MBPIDRMFXGMTJD-UHFFFAOYSA-N 1 0 434.009 3.837 20 0 IHADRO Cn1cc([C@@H]2COC3(C2)CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cn1 ZINC001164698860 719825565 /nfs/dbraw/zinc/82/55/65/719825565.db2.gz VMONMXJFMWNFBI-QHCPKHFHSA-N 1 0 443.595 3.917 20 0 IHADRO CCOC(=O)c1c(C)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1C ZINC001164697725 719894490 /nfs/dbraw/zinc/89/44/90/719894490.db2.gz OMHQLXVTCXGEBW-UHFFFAOYSA-N 1 0 429.586 3.808 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164716272 720108015 /nfs/dbraw/zinc/10/80/15/720108015.db2.gz KBMBAGJYDNBNDJ-OAQYLSRUSA-N 1 0 435.547 3.980 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ncccc3nc1Cl)CC2 ZINC001164718086 720116563 /nfs/dbraw/zinc/11/65/63/720116563.db2.gz RPUJKYYNJGZXQX-GOSISDBHSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164718571 720118219 /nfs/dbraw/zinc/11/82/19/720118219.db2.gz SLQAGRJHVJVGRS-WIYYLYMNSA-N 1 0 434.943 3.765 20 0 IHADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164719606 720118605 /nfs/dbraw/zinc/11/86/05/720118605.db2.gz ZNODHUVZPSOIGC-SFHVURJKSA-N 1 0 438.963 3.581 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001164815530 720136911 /nfs/dbraw/zinc/13/69/11/720136911.db2.gz WIXSAJWNPSPPLF-KSFYIVLOSA-N 1 0 447.942 3.641 20 0 IHADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)C2 ZINC001164816828 720154867 /nfs/dbraw/zinc/15/48/67/720154867.db2.gz NANJLZXTBXIDHJ-KCWPFWIISA-N 1 0 444.579 3.910 20 0 IHADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164817439 720164628 /nfs/dbraw/zinc/16/46/28/720164628.db2.gz PJEYXRKFRZFOOP-LVXARBLLSA-N 1 0 429.568 3.877 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)cc(Cl)nc1Cl)CCC2 ZINC001164814085 720216214 /nfs/dbraw/zinc/21/62/14/720216214.db2.gz SOOMDAXIHRFYAQ-UHFFFAOYSA-N 1 0 430.767 3.849 20 0 IHADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3c(F)cccc13)CCC2 ZINC001164818293 720245001 /nfs/dbraw/zinc/24/50/01/720245001.db2.gz YJOACVXARLLGRB-UHFFFAOYSA-N 1 0 429.927 3.835 20 0 IHADRO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164828332 720309190 /nfs/dbraw/zinc/30/91/90/720309190.db2.gz ZYWPMSDQCYDGSO-IAGOWNOFSA-N 1 0 434.009 3.565 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)CC1 ZINC001164832004 720317896 /nfs/dbraw/zinc/31/78/96/720317896.db2.gz SSSZANXECYKSLO-HOTGVXAUSA-N 1 0 447.357 3.845 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827473 720338116 /nfs/dbraw/zinc/33/81/16/720338116.db2.gz LYYKJKGIMKMPIV-ZWKOTPCHSA-N 1 0 434.028 3.647 20 0 IHADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc3cc(F)c(Cl)cc32)CC1 ZINC001164825899 720350383 /nfs/dbraw/zinc/35/03/83/720350383.db2.gz JVGIISNTHLYVFT-SFTDATJTSA-N 1 0 430.955 3.939 20 0 IHADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824232 720351525 /nfs/dbraw/zinc/35/15/25/720351525.db2.gz HPXGJBGADAVKLK-XZOQPEGZSA-N 1 0 437.563 3.503 20 0 IHADRO O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729823 720352062 /nfs/dbraw/zinc/35/20/62/720352062.db2.gz YLHWSQOQYWDPDK-WOJBJXKFSA-N 1 0 425.964 3.609 20 0 IHADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725904 720376763 /nfs/dbraw/zinc/37/67/63/720376763.db2.gz ODGHPWBHAZKJOO-OALUTQOASA-N 1 0 437.931 3.708 20 0 IHADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c2[nH]cnc21 ZINC001164733604 720428360 /nfs/dbraw/zinc/42/83/60/720428360.db2.gz PYFRQYBBNLVEEY-ROUUACIJSA-N 1 0 435.532 3.553 20 0 IHADRO 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COCc1nc2scc(-c3ccccc3)c2c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164733781 720528956 /nfs/dbraw/zinc/52/89/56/720528956.db2.gz LNBWZXFQIIEWPU-QGZVFWFLSA-N 1 0 448.596 3.899 20 0 IHADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CCCCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833637 720537342 /nfs/dbraw/zinc/53/73/42/720537342.db2.gz BARRQYHWZWCOHB-LVCYWYKZSA-N 1 0 429.012 3.973 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3F)CC[C@@H]21 ZINC001164836581 720542351 /nfs/dbraw/zinc/54/23/51/720542351.db2.gz KCFWHUYXHVHAJP-VKJFTORMSA-N 1 0 427.902 3.993 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@@H]21 ZINC001164842541 720548783 /nfs/dbraw/zinc/54/87/83/720548783.db2.gz YCSWATPUQGIAKR-NHTMILBNSA-N 1 0 444.583 3.908 20 0 IHADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837324 720555475 /nfs/dbraw/zinc/55/54/75/720555475.db2.gz LQIBCIQXNQZJOG-WSTZPKSXSA-N 1 0 445.995 3.794 20 0 IHADRO CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164840149 720573137 /nfs/dbraw/zinc/57/31/37/720573137.db2.gz RWQOEUGKWYDCSI-BHIFYINESA-N 1 0 425.625 3.677 20 0 IHADRO COC(=O)c1ccc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2C)cc1 ZINC001164736689 720577843 /nfs/dbraw/zinc/57/78/43/720577843.db2.gz QWVIOCUWTSJZDF-UHFFFAOYSA-N 1 0 445.567 3.699 20 0 IHADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164736301 720582136 /nfs/dbraw/zinc/58/21/36/720582136.db2.gz HKEGXJXMXAAFSB-UHFFFAOYSA-N 1 0 425.540 3.547 20 0 IHADRO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164835255 720604479 /nfs/dbraw/zinc/60/44/79/720604479.db2.gz AUGPPODDPAXUPI-SXWKCWPCSA-N 1 0 432.572 3.727 20 0 IHADRO COc1cccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)c1 ZINC001164837763 720605298 /nfs/dbraw/zinc/60/52/98/720605298.db2.gz JHTHEPOMPZBRNR-AWRGLXIESA-N 1 0 432.572 3.727 20 0 IHADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)CC[C@@H]21 ZINC001164838724 720634382 /nfs/dbraw/zinc/63/43/82/720634382.db2.gz LDEUBPRQJGCVKY-HKBOAZHASA-N 1 0 433.560 3.583 20 0 IHADRO COC(=O)c1cc(Cl)cnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838792 720663963 /nfs/dbraw/zinc/66/39/63/720663963.db2.gz HPYZWTGZQZIBAR-IBGZPJMESA-N 1 0 429.948 3.782 20 0 IHADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164842640 720664803 /nfs/dbraw/zinc/66/48/03/720664803.db2.gz SWJMSZANXCRWOC-HSZRJFAPSA-N 1 0 448.611 3.968 20 0 IHADRO Cc1nc2nc(Cl)nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2[nH]1 ZINC001164843334 720678044 /nfs/dbraw/zinc/67/80/44/720678044.db2.gz OCAVTDRYLUVKKD-KRWDZBQOSA-N 1 0 426.952 3.575 20 0 IHADRO COC(=O)c1cc(F)c(C)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843389 720690529 /nfs/dbraw/zinc/69/05/29/720690529.db2.gz PCUUHMYPLXCJKG-LJQANCHMSA-N 1 0 427.520 3.576 20 0 IHADRO 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Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746666 720809252 /nfs/dbraw/zinc/80/92/52/720809252.db2.gz MHZVECWVLZCOHQ-YFVAEKQCSA-N 1 0 440.954 3.998 20 0 IHADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(C)cc2c1 ZINC001164747526 720809794 /nfs/dbraw/zinc/80/97/94/720809794.db2.gz OKWOVDOBEUODRJ-ZFGGDYGUSA-N 1 0 432.572 3.523 20 0 IHADRO Clc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164752605 720814961 /nfs/dbraw/zinc/81/49/61/720814961.db2.gz ZIPOMQICYKLVOQ-IEIRFRATSA-N 1 0 449.990 3.768 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164745183 720850270 /nfs/dbraw/zinc/85/02/70/720850270.db2.gz MKXNTOSARIHRJT-SGIRGMQISA-N 1 0 443.599 3.731 20 0 IHADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164745185 720850522 /nfs/dbraw/zinc/85/05/22/720850522.db2.gz MKXNTOSARIHRJT-WRALFONMSA-N 1 0 443.599 3.731 20 0 IHADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164854817 720867849 /nfs/dbraw/zinc/86/78/49/720867849.db2.gz KVRNAUCXYJAFPB-KXBFYZLASA-N 1 0 425.907 3.607 20 0 IHADRO c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164753505 720868920 /nfs/dbraw/zinc/86/89/20/720868920.db2.gz PRNPMTFFCSVGNK-YKSBVNFPSA-N 1 0 435.597 3.841 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164859923 720872516 /nfs/dbraw/zinc/87/25/16/720872516.db2.gz NFKQGEFHVBBVFC-BXUZGUMPSA-N 1 0 444.737 3.760 20 0 IHADRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164750778 720879137 /nfs/dbraw/zinc/87/91/37/720879137.db2.gz JTDZRJQPYQYPOA-OFNKIYASSA-N 1 0 427.980 3.589 20 0 IHADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4Cl)nc(C)c3C)CC[C@@H]2C1 ZINC001164861756 720882852 /nfs/dbraw/zinc/88/28/52/720882852.db2.gz QBOOKKDYGQCBLN-WIYYLYMNSA-N 1 0 430.980 3.587 20 0 IHADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4ncccc4n2)C3)c1 ZINC001164752572 720886456 /nfs/dbraw/zinc/88/64/56/720886456.db2.gz FDVZJOMVPIERFF-BKMJKUGQSA-N 1 0 429.568 3.780 20 0 IHADRO CSc1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754949 720889767 /nfs/dbraw/zinc/88/97/67/720889767.db2.gz JXQPKTFTCCMPEE-URXFXBBRSA-N 1 0 439.629 3.657 20 0 IHADRO c1ccc2nnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2c1 ZINC001164756307 720891950 /nfs/dbraw/zinc/89/19/50/720891950.db2.gz PKVISMDTCYUUQR-ZEQKJWHPSA-N 1 0 429.568 3.780 20 0 IHADRO c1nc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164755107 720899899 /nfs/dbraw/zinc/89/98/99/720899899.db2.gz KVKPZLUEBSAEGC-RDPSFJRHSA-N 1 0 435.597 3.841 20 0 IHADRO CC(C)(C)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164755179 720912630 /nfs/dbraw/zinc/91/26/30/720912630.db2.gz ZHVHHUQFWSBANJ-GJZUVCINSA-N 1 0 435.616 3.924 20 0 IHADRO CC(C)Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164748572 720916033 /nfs/dbraw/zinc/91/60/33/720916033.db2.gz HBRDMNKQGUJIJZ-ZEQKJWHPSA-N 1 0 435.616 3.825 20 0 IHADRO COc1ccnc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755120 720926976 /nfs/dbraw/zinc/92/69/76/720926976.db2.gz YKIDMPFITQWPHT-HYBUGGRVSA-N 1 0 442.991 3.894 20 0 IHADRO CCCCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164750007 720927493 /nfs/dbraw/zinc/92/74/93/720927493.db2.gz ISFVSJRFZCNMBP-BVAGGSTKSA-N 1 0 435.616 3.969 20 0 IHADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)CCCC4)C3)c1 ZINC001164748448 720927771 /nfs/dbraw/zinc/92/77/71/720927771.db2.gz GDZTYBAHXAQPMM-BVAGGSTKSA-N 1 0 433.600 3.506 20 0 IHADRO CCCCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164750010 720928129 /nfs/dbraw/zinc/92/81/29/720928129.db2.gz ISFVSJRFZCNMBP-JYFHCDHNSA-N 1 0 435.616 3.969 20 0 IHADRO C[C@@H]1CCc2nnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2C1 ZINC001164754230 720929442 /nfs/dbraw/zinc/92/94/42/720929442.db2.gz UVXOPIFHQXINEY-SGGJORCASA-N 1 0 447.627 3.752 20 0 IHADRO COC(=O)c1ccc2nc(Cl)c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc2c1 ZINC001164860400 720930654 /nfs/dbraw/zinc/93/06/54/720930654.db2.gz QZPBNYWCZWSDOB-AWEZNQCLSA-N 1 0 442.951 3.688 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)[C@@H]2C ZINC001164862441 720974666 /nfs/dbraw/zinc/97/46/66/720974666.db2.gz SNEHUVWFNVRVIX-CYBMUJFWSA-N 1 0 435.910 3.841 20 0 IHADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCc3ccccc31)[C@@H]2C ZINC001164864112 721001404 /nfs/dbraw/zinc/00/14/04/721001404.db2.gz XMHLQNCARHEZAB-LJQANCHMSA-N 1 0 444.583 3.902 20 0 IHADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880326 721131872 /nfs/dbraw/zinc/13/18/72/721131872.db2.gz VWBZLYHESDFLIN-ZWKOTPCHSA-N 1 0 426.952 3.540 20 0 IHADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C2)n1)CCCC3 ZINC001164876975 721138219 /nfs/dbraw/zinc/13/82/19/721138219.db2.gz NHEDKTVXLCPPIL-RBUKOAKNSA-N 1 0 435.597 3.753 20 0 IHADRO Clc1cccc2nc(Cl)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc12 ZINC001164872190 721177749 /nfs/dbraw/zinc/17/77/49/721177749.db2.gz GUNFASILDKOWSM-JKSUJKDBSA-N 1 0 430.339 3.811 20 0 IHADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164767986 721240785 /nfs/dbraw/zinc/24/07/85/721240785.db2.gz XITAEJDYVSUWMV-IRXDYDNUSA-N 1 0 442.926 3.753 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(C(=O)c4ccccc4)C[C@@H]3C2)nc1 ZINC001164883768 721352585 /nfs/dbraw/zinc/35/25/85/721352585.db2.gz LSZWLPZGBPNOKS-SMIHKQSGSA-N 1 0 434.584 3.606 20 0 IHADRO Cc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2s1 ZINC001164785234 721362089 /nfs/dbraw/zinc/36/20/89/721362089.db2.gz SQYPESLVKQKSPW-JOCHJYFZSA-N 1 0 427.574 3.724 20 0 IHADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(OCC(C)C)n3)C2)C1 ZINC001164780295 721362372 /nfs/dbraw/zinc/36/23/72/721362372.db2.gz FTXJEFPHWAACFD-DEOSSOPVSA-N 1 0 428.577 3.840 20 0 IHADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)nc1 ZINC001164892170 721377315 /nfs/dbraw/zinc/37/73/15/721377315.db2.gz RZVJNCQZRYGUPU-FYYLOGMGSA-N 1 0 434.650 3.803 20 0 IHADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164886355 721385260 /nfs/dbraw/zinc/38/52/60/721385260.db2.gz FJLUIRCFPWPZSS-KXBFYZLASA-N 1 0 449.373 3.699 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)C3)O2)CC1 ZINC001164891781 721438061 /nfs/dbraw/zinc/43/80/61/721438061.db2.gz HKUVMRHIHOCZCG-QPPBQGQZSA-N 1 0 442.007 3.562 20 0 IHADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890239 721445345 /nfs/dbraw/zinc/44/53/45/721445345.db2.gz CQOYYNQJAKIGAC-WZONZLPQSA-N 1 0 432.971 3.793 20 0 IHADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894919 721446604 /nfs/dbraw/zinc/44/66/04/721446604.db2.gz NGKLVZMZHCKOGZ-WCAVRKLYSA-N 1 0 436.044 3.717 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164783444 721451393 /nfs/dbraw/zinc/45/13/93/721451393.db2.gz BQPJLAACNAZPJR-MRXNPFEDSA-N 1 0 429.392 3.517 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164790205 721454865 /nfs/dbraw/zinc/45/48/65/721454865.db2.gz XJHOCPBXOKEPPN-JOCHJYFZSA-N 1 0 439.600 3.977 20 0 IHADRO CCOc1ccc(Cl)nc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164789251 721461426 /nfs/dbraw/zinc/46/14/26/721461426.db2.gz VZWLVVAOAGAQRX-LJQANCHMSA-N 1 0 438.012 3.868 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)c3ccccc3n1)CC2 ZINC001164784811 721463691 /nfs/dbraw/zinc/46/36/91/721463691.db2.gz KJRXYCQPNQOOQM-OAQYLSRUSA-N 1 0 439.600 3.977 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164790615 721466974 /nfs/dbraw/zinc/46/69/74/721466974.db2.gz SHLRSRBTQHUVGL-DEOSSOPVSA-N 1 0 436.600 3.878 20 0 IHADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccco3)n1)CC2 ZINC001164786636 721468688 /nfs/dbraw/zinc/46/86/88/721468688.db2.gz BVMPUOKAFQBHBS-NRFANRHFSA-N 1 0 440.588 3.779 20 0 IHADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164789509 721470526 /nfs/dbraw/zinc/47/05/26/721470526.db2.gz NGGHBXBEUSDNLO-OAQYLSRUSA-N 1 0 442.629 3.939 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)nc1 ZINC001164793734 721488085 /nfs/dbraw/zinc/48/80/85/721488085.db2.gz UZTAKZRBJAEWQF-ZILOHOTNSA-N 1 0 426.536 3.694 20 0 IHADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164793161 721491961 /nfs/dbraw/zinc/49/19/61/721491961.db2.gz OBNSIYANOOWQOT-UHFFFAOYSA-N 1 0 431.540 3.677 20 0 IHADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164901224 721495355 /nfs/dbraw/zinc/49/53/55/721495355.db2.gz UPYPTLXHXOXBNI-KBAYOESNSA-N 1 0 444.008 3.688 20 0 IHADRO COCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164897073 721514661 /nfs/dbraw/zinc/51/46/61/721514661.db2.gz DNHYSTOGWVGBDA-GMAHTHKFSA-N 1 0 434.515 3.771 20 0 IHADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4c(Cl)ccc(Cl)c4n2)CC3)CC1 ZINC001164795318 721522186 /nfs/dbraw/zinc/52/21/86/721522186.db2.gz MHEZGAQDBKZLKI-UHFFFAOYSA-N 1 0 431.371 3.506 20 0 IHADRO COc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903444 721532727 /nfs/dbraw/zinc/53/27/27/721532727.db2.gz COVWBVKZHWUEOF-RDJZCZTQSA-N 1 0 428.895 3.773 20 0 IHADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCCC3)[C@H]2CCCO[C@@H]12 ZINC001164805074 721551198 /nfs/dbraw/zinc/55/11/98/721551198.db2.gz KSHQBOVFGKYIKP-PWRODBHTSA-N 1 0 427.980 3.662 20 0 IHADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC[N@@H+]3C2)c1 ZINC001164911097 721555029 /nfs/dbraw/zinc/55/50/29/721555029.db2.gz YKBGASAESNVBAJ-HOCLYGCPSA-N 1 0 438.881 3.645 20 0 IHADRO COc1cc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc2cc1OC ZINC001164804093 721582093 /nfs/dbraw/zinc/58/20/93/721582093.db2.gz IHJJXQCRMCOZFI-WATLYSKOSA-N 1 0 434.540 3.515 20 0 IHADRO CCOC(=O)/C=C\c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906611 721585508 /nfs/dbraw/zinc/58/55/08/721585508.db2.gz NQKDCKGLKBTEJS-UFTUAFODSA-N 1 0 442.510 3.791 20 0 IHADRO COc1ccc2cnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164903651 721696580 /nfs/dbraw/zinc/69/65/80/721696580.db2.gz BDMOBKATEQFUOQ-QFIPXVFZSA-N 1 0 425.483 3.771 20 0 IHADRO COc1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908543 721704369 /nfs/dbraw/zinc/70/43/69/721704369.db2.gz XSPHRIYYLDHBCB-JOCHJYFZSA-N 1 0 425.483 3.771 20 0 IHADRO COC(=O)/C=C/c1cc(C)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904361 721719247 /nfs/dbraw/zinc/71/92/47/721719247.db2.gz CGNDNICNAYLQRP-YQTDCCHMSA-N 1 0 442.510 3.709 20 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c1ccc(C[N@@H+]2CCc3nc(N4CC[C@]5(C[C@H](Oc6cccnc6)CO5)C4)ccc3C2)cc1 ZINC001164915035 721805593 /nfs/dbraw/zinc/80/55/93/721805593.db2.gz HGCNZMGQMXYWAA-IGKIAQTJSA-N 1 0 442.563 3.852 20 0 IHADRO CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165019886 721809325 /nfs/dbraw/zinc/80/93/25/721809325.db2.gz CBGIPHLMENGPNV-CZTZKLFOSA-N 1 0 433.556 3.872 20 0 IHADRO COC(=O)c1cc2ccncc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021640 721814798 /nfs/dbraw/zinc/81/47/98/721814798.db2.gz FNBVTIULMRFFJM-HARLFGEKSA-N 1 0 431.540 3.548 20 0 IHADRO COc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025979 721816803 /nfs/dbraw/zinc/81/68/03/721816803.db2.gz ORAZWHWDEXMTDF-NNWRFLSQSA-N 1 0 430.556 3.679 20 0 IHADRO CN(C)C(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)c1 ZINC001165029585 721824965 /nfs/dbraw/zinc/82/49/65/721824965.db2.gz XGCWTLPEQYIQLK-LDQXTDLNSA-N 1 0 427.980 3.569 20 0 IHADRO CN(C)C(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)c1 ZINC001165029598 721825039 /nfs/dbraw/zinc/82/50/39/721825039.db2.gz XGCWTLPEQYIQLK-SCWSEQNSSA-N 1 0 427.980 3.569 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)c(NCC3CC3)n2)CC1 ZINC001165018313 721837623 /nfs/dbraw/zinc/83/76/23/721837623.db2.gz WWLVUNWJVJJQLW-UHFFFAOYSA-N 1 0 425.577 3.725 20 0 IHADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(OC)nc(-c3ccccc3)n2)CC1 ZINC001165022619 721841858 /nfs/dbraw/zinc/84/18/58/721841858.db2.gz QIFKJOWKPWAYNI-UHFFFAOYSA-N 1 0 449.555 3.665 20 0 IHADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)n2)cc1 ZINC001164930469 721856140 /nfs/dbraw/zinc/85/61/40/721856140.db2.gz SDSLVOBMAWNPLJ-DHIUTWEWSA-N 1 0 435.547 3.659 20 0 IHADRO CN(CCCc1ccccc1)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165039453 721880761 /nfs/dbraw/zinc/88/07/61/721880761.db2.gz ZUTLDCXWOVKMMR-NRFANRHFSA-N 1 0 438.616 3.949 20 0 IHADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164934577 721884422 /nfs/dbraw/zinc/88/44/22/721884422.db2.gz SEFHKMZBIHHTOG-PMACEKPBSA-N 1 0 437.613 3.719 20 0 IHADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC[C@@H]([NH+](C)C)C3)c2c1C ZINC001165035335 721896103 /nfs/dbraw/zinc/89/61/03/721896103.db2.gz MRDTYAFCQQMQKL-QGZVFWFLSA-N 1 0 445.633 3.693 20 0 IHADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CCC3)C2)nc1 ZINC001164931202 721897761 /nfs/dbraw/zinc/89/77/61/721897761.db2.gz DONVHXAZJWRJNX-ADHNFCLRSA-N 1 0 426.605 3.529 20 0 IHADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164937639 721921067 /nfs/dbraw/zinc/92/10/67/721921067.db2.gz FQTLQUIEVCPBBR-ZHACJKMWSA-N 1 0 435.568 3.838 20 0 IHADRO CCc1c(Cl)nnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1CC ZINC001164964857 722056344 /nfs/dbraw/zinc/05/63/44/722056344.db2.gz YROBVRNYTTWJOK-UHFFFAOYSA-N 1 0 429.996 3.769 20 0 IHADRO Cc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164960724 722059342 /nfs/dbraw/zinc/05/93/42/722059342.db2.gz JJFTVDNSBQXHED-UHFFFAOYSA-N 1 0 429.568 3.966 20 0 IHADRO c1ccc(Oc2nccnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164961527 722061448 /nfs/dbraw/zinc/06/14/48/722061448.db2.gz LINCCQDKLNMKNE-UHFFFAOYSA-N 1 0 431.540 3.783 20 0 IHADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980720 722102144 /nfs/dbraw/zinc/10/21/44/722102144.db2.gz JYXBNKNZRYQTQY-RDJZCZTQSA-N 1 0 426.870 3.541 20 0 IHADRO c1[nH]c2ccccc2c1-c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981117 722114254 /nfs/dbraw/zinc/11/42/54/722114254.db2.gz SSNGWSQYNOMYHF-CPJSRVTESA-N 1 0 440.551 3.747 20 0 IHADRO Clc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164974943 722118992 /nfs/dbraw/zinc/11/89/92/722118992.db2.gz JDCXVOVTFKSODJ-RBBKRZOGSA-N 1 0 435.959 3.919 20 0 IHADRO Clc1ccccc1-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973455 722130157 /nfs/dbraw/zinc/13/01/57/722130157.db2.gz CJBOHHNPADFRCT-AUSIDOKSSA-N 1 0 435.959 3.919 20 0 IHADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974388 722135062 /nfs/dbraw/zinc/13/50/62/722135062.db2.gz DMCZWNMMXHZSSR-ZWKOTPCHSA-N 1 0 447.917 3.884 20 0 IHADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977013 722139433 /nfs/dbraw/zinc/13/94/33/722139433.db2.gz HNLZJEPFTVWVPC-RBUKOAKNSA-N 1 0 429.996 3.858 20 0 IHADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980950 722146348 /nfs/dbraw/zinc/14/63/48/722146348.db2.gz OAUPTISWGLZOBL-IIBYNOLFSA-N 1 0 427.911 3.545 20 0 IHADRO FC(F)c1nc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975202 722146368 /nfs/dbraw/zinc/14/63/68/722146368.db2.gz FRXRRAAMLMWXCW-FXAWDEMLSA-N 1 0 425.483 3.690 20 0 IHADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972736 722154496 /nfs/dbraw/zinc/15/44/96/722154496.db2.gz JEDDDJXGLRNSTA-VQTJNVASSA-N 1 0 427.980 3.828 20 0 IHADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)CC2 ZINC001164992025 722187747 /nfs/dbraw/zinc/18/77/47/722187747.db2.gz RJAYRBZAFDBUCA-VXKWHMMOSA-N 1 0 428.621 3.730 20 0 IHADRO COc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(N2CCCCCC2)n1 ZINC001164997250 722208017 /nfs/dbraw/zinc/20/80/17/722208017.db2.gz XONROWTZRGDNJY-XMMPIXPASA-N 1 0 440.567 3.645 20 0 IHADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164994756 722213772 /nfs/dbraw/zinc/21/37/72/722213772.db2.gz DAFPOLADWHNSTL-UQBPGWFLSA-N 1 0 438.547 3.529 20 0 IHADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccc(Cl)cc3nc1Cl)CCC2 ZINC001165000556 722252528 /nfs/dbraw/zinc/25/25/28/722252528.db2.gz RUYQVQPYFPFADK-UHFFFAOYSA-N 1 0 435.359 3.622 20 0 IHADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(Br)c2N)c1 ZINC000467359317 1126094695 /nfs/dbraw/zinc/09/46/95/1126094695.db2.gz RSSMOENUBRXBPD-OAHLLOKOSA-N 1 0 428.168 3.795 20 0 IHADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2)C(F)(F)F ZINC000604766036 1126099804 /nfs/dbraw/zinc/09/98/04/1126099804.db2.gz MZWAXACBMOHJGO-RHSMWYFYSA-N 1 0 432.236 3.802 20 0 IHADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2)C(F)(F)F ZINC000604766035 1126099864 /nfs/dbraw/zinc/09/98/64/1126099864.db2.gz MZWAXACBMOHJGO-PBHICJAKSA-N 1 0 432.236 3.802 20 0 IHADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c(Br)cncc1Br ZINC001177827751 1126150672 /nfs/dbraw/zinc/15/06/72/1126150672.db2.gz COQSCEZSTRFTNA-LBPRGKRZSA-N 1 0 439.151 3.781 20 0 IHADRO COc1cc2c(cc1C[NH2+][C@@]1(CO)CCc3cc(Br)ccc3C1)O[C@H](C)C2 ZINC001179147914 1126151526 /nfs/dbraw/zinc/15/15/26/1126151526.db2.gz LIOUFOQEKASZQJ-PEBXRYMYSA-N 1 0 432.358 3.791 20 0 IHADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC001183145035 1126153042 /nfs/dbraw/zinc/15/30/42/1126153042.db2.gz GLROAEUOTVEDBI-QHCPKHFHSA-N 1 0 433.549 3.526 20 0 IHADRO OC[C@]1([NH2+]Cc2cncc(Br)c2)CCc2cc(Br)ccc2C1 ZINC001196104483 1126153489 /nfs/dbraw/zinc/15/34/89/1126153489.db2.gz MCUPNMNPBHTXIM-KRWDZBQOSA-N 1 0 426.152 3.616 20 0 IHADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c2ncccc12 ZINC001198220218 1126155291 /nfs/dbraw/zinc/15/52/91/1126155291.db2.gz ZQSBPHPIYKFYBL-JOCHJYFZSA-N 1 0 443.341 3.867 20 0 IHADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001202009515 1126156620 /nfs/dbraw/zinc/15/66/20/1126156620.db2.gz IFMBEWZEBYSZGB-RTWAWAEBSA-N 1 0 428.573 3.839 20 0 IHADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC001198219282 1126155057 /nfs/dbraw/zinc/15/50/57/1126155057.db2.gz OJPIECZLRDDRJY-IBGZPJMESA-N 1 0 436.737 3.835 20 0 IHADRO COC(=O)c1cccc2c(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)ccnc12 ZINC001206858020 1126159889 /nfs/dbraw/zinc/15/98/89/1126159889.db2.gz ZFKKLGOSEJZXJX-QFIPXVFZSA-N 1 0 443.341 3.867 20 0 IHADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(I)cc1)C(F)(F)F ZINC001308040379 1126162946 /nfs/dbraw/zinc/16/29/46/1126162946.db2.gz VBNFEFGZRZWQIR-CVEARBPZSA-N 1 0 435.227 3.915 20 0 IHADRO COC(=O)c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)[nH]c1C(C)C ZINC001462430928 1126197612 /nfs/dbraw/zinc/19/76/12/1126197612.db2.gz VLZSFFBJJRRDSR-OAQYLSRUSA-N 1 0 435.362 3.697 20 0 IHADRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001560532530 1126211804 /nfs/dbraw/zinc/21/18/04/1126211804.db2.gz MQPBQNKHSRMPJR-JOCHJYFZSA-N 1 0 426.358 3.953 20 0 IHADRO Cc1sc2nc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)[nH]c(=O)c2c1C ZINC001620418852 1126240049 /nfs/dbraw/zinc/24/00/49/1126240049.db2.gz GJWSTRXOKPKCIB-HXUWFJFHSA-N 1 0 448.386 3.786 20 0 IHADRO O=c1[nH]c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nc2cc(Cl)ccc12 ZINC001620419156 1126240359 /nfs/dbraw/zinc/24/03/59/1126240359.db2.gz PLCGHLBRGBPWED-HXUWFJFHSA-N 1 0 448.748 3.761 20 0 IHADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(F)cc1I ZINC001621022410 1126244598 /nfs/dbraw/zinc/24/45/98/1126244598.db2.gz WADBTQGUMFOOTB-GOSISDBHSA-N 1 0 429.273 3.522 20 0 IHADRO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)sc2nc3n(c(=O)c12)CCC3 ZINC000009750922 569566053 /nfs/dbraw/zinc/56/60/53/569566053.db2.gz SIODHPXITFYJOS-UHFFFAOYSA-N 1 0 428.602 3.631 20 0 IHADRO