smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1c(F)cccc1Cl ZINC000040737347 205071865 /nfs/dbraw/zinc/07/18/65/205071865.db2.gz MHVAHQADFRMSIO-INIZCTEOSA-N 1 0 393.886 4.725 20 0 GJADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000057412069 205157317 /nfs/dbraw/zinc/15/73/17/205157317.db2.gz NNSYKKFCGHLVQZ-UHFFFAOYSA-N 1 0 380.879 4.578 20 0 GJADRO [NH3+]C1CC2(C1)CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164388641 718801908 /nfs/dbraw/zinc/80/19/08/718801908.db2.gz ZGQPXDWRXAISOJ-UHFFFAOYSA-N 1 0 393.865 4.534 20 0 GJADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164620691 719043769 /nfs/dbraw/zinc/04/37/69/719043769.db2.gz GPCUCLANKLEWIS-MAUKXSAKSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164625517 719043985 /nfs/dbraw/zinc/04/39/85/719043985.db2.gz PXHUAOMXLNTWBN-QAPCUYQASA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164618756 719044049 /nfs/dbraw/zinc/04/40/49/719044049.db2.gz BIHWGZKJXCIROL-QAPCUYQASA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)c1nc2ccccc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628446 719101895 /nfs/dbraw/zinc/10/18/95/719101895.db2.gz MXRJRIDDQKQZPL-FXAWDEMLSA-N 1 0 394.469 4.668 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)cc(Cl)c2C)CC3)cs1 ZINC001164694526 719809836 /nfs/dbraw/zinc/80/98/36/719809836.db2.gz ZODSFQOVTVOEJO-UHFFFAOYSA-N 1 0 390.984 4.752 20 0 GJADRO Cc1cc(Cl)c(C)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841989 720696610 /nfs/dbraw/zinc/69/66/10/720696610.db2.gz KVFPLHSKCFPHRS-FQEVSTJZSA-N 1 0 399.966 4.612 20 0 GJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)cn1)CC2 ZINC001164837032 720727398 /nfs/dbraw/zinc/72/73/98/720727398.db2.gz CXOXFEXJBJBGSW-JOCHJYFZSA-N 1 0 393.575 4.639 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccccc31)[C@H]2C ZINC001164858561 720918287 /nfs/dbraw/zinc/91/82/87/720918287.db2.gz ODRPUOJWPMMZLT-HNNXBMFYSA-N 1 0 383.927 4.506 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc3cccc(Cl)c31)[C@@H]2C ZINC001164860627 720965982 /nfs/dbraw/zinc/96/59/82/720965982.db2.gz QOEOQMYOVZNPCA-OAHLLOKOSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1ccc2nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)ccc2c1 ZINC001164792559 721489929 /nfs/dbraw/zinc/48/99/29/721489929.db2.gz KSEKRTTZQJGDRJ-UHFFFAOYSA-N 1 0 386.543 4.819 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3ccsc3cn1)CC2 ZINC001164791588 721497322 /nfs/dbraw/zinc/49/73/22/721497322.db2.gz DXHJAIMNTJHHBE-UHFFFAOYSA-N 1 0 378.545 4.572 20 0 GJADRO Cc1cc(Cl)c(C)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795491 721497672 /nfs/dbraw/zinc/49/76/72/721497672.db2.gz IZNCEDWALZUEKN-UHFFFAOYSA-N 1 0 384.955 4.628 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165026569 721800242 /nfs/dbraw/zinc/80/02/42/721800242.db2.gz REVAQMQAOUEDEE-ZTFGCOKTSA-N 1 0 391.346 4.520 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC001165033131 721862582 /nfs/dbraw/zinc/86/25/82/721862582.db2.gz CUKISCBIGWBPQA-UHFFFAOYSA-N 1 0 381.854 4.605 20 0 GJADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048248 721969428 /nfs/dbraw/zinc/96/94/28/721969428.db2.gz NCIXGMHVRXNZQI-INIZCTEOSA-N 1 0 394.897 4.673 20 0 GJADRO CC[NH+](CC)C1CCN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001165052959 722001769 /nfs/dbraw/zinc/00/17/69/722001769.db2.gz GOQFCVIPVYVNOJ-UHFFFAOYSA-N 1 0 394.897 4.653 20 0 GJADRO CC[NH+](CC)C1CCN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001165053370 722004035 /nfs/dbraw/zinc/00/40/35/722004035.db2.gz PDSDNCRYJAMPSA-UHFFFAOYSA-N 1 0 394.897 4.653 20 0 GJADRO c1ccc(-c2cc(N3CC[NH+](CCc4ccccn4)CC3)nc3ccccc32)cc1 ZINC001165054786 722017205 /nfs/dbraw/zinc/01/72/05/722017205.db2.gz CGEYDCGQOGOHLF-UHFFFAOYSA-N 1 0 394.522 4.662 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4ccc(Cl)cc42)C3)c1 ZINC001164995814 722194916 /nfs/dbraw/zinc/19/49/16/722194916.db2.gz YENVVVISRPNQCW-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164994083 722207272 /nfs/dbraw/zinc/20/72/72/722207272.db2.gz FLEYWHOMFRINEQ-DEOSSOPVSA-N 1 0 388.490 4.528 20 0 GJADRO CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@H]21 ZINC001165006551 722245648 /nfs/dbraw/zinc/24/56/48/722245648.db2.gz ZPAZSQPMJLCIFG-LADGPHEKSA-N 1 0 390.575 4.514 20 0 GJADRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000071968663 205299893 /nfs/dbraw/zinc/29/98/93/205299893.db2.gz FYFQWWXKOMGBSV-UHFFFAOYSA-N 1 0 375.516 4.911 20 0 GJADRO O[C@@H](C[NH+]1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000095080059 211218208 /nfs/dbraw/zinc/21/82/08/211218208.db2.gz MIOHFLDFRBPMGJ-FQEVSTJZSA-N 1 0 392.312 4.576 20 0 GJADRO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCc1c(Cl)cccc1Cl ZINC000040736893 570610330 /nfs/dbraw/zinc/61/03/30/570610330.db2.gz SCARVHFYHMLUBS-OAHLLOKOSA-N 1 0 398.330 4.832 20 0 GJADRO FC(F)(c1cccc2c(Cl)nccc21)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164416586 718892700 /nfs/dbraw/zinc/89/27/00/718892700.db2.gz DJTJZILODMOPHU-GOSISDBHSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164423107 718941966 /nfs/dbraw/zinc/94/19/66/718941966.db2.gz DKFAATMYIPIPMO-RBUKOAKNSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164628275 719043794 /nfs/dbraw/zinc/04/37/94/719043794.db2.gz XLBHULBIINIDSM-YJBOKZPZSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164625512 719043890 /nfs/dbraw/zinc/04/38/90/719043890.db2.gz PXHUAOMXLNTWBN-CRAIPNDOSA-N 1 0 398.284 4.517 20 0 GJADRO Fc1cc2ncnc(Cl)c2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164628042 719092491 /nfs/dbraw/zinc/09/24/91/719092491.db2.gz LWFLPLLNGRWJOH-OXQOHEQNSA-N 1 0 396.897 4.523 20 0 GJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731066 720366029 /nfs/dbraw/zinc/36/60/29/720366029.db2.gz YTINYZWCOSIUJQ-RTBURBONSA-N 1 0 399.325 4.790 20 0 GJADRO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2n1 ZINC001164724787 720474115 /nfs/dbraw/zinc/47/41/15/720474115.db2.gz HIHWZBCLCZVHNZ-QZTJIDSGSA-N 1 0 399.325 4.790 20 0 GJADRO Clc1ccc2ccc(Cl)c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2n1 ZINC001164724789 720474177 /nfs/dbraw/zinc/47/41/77/720474177.db2.gz HIHWZBCLCZVHNZ-ZWKOTPCHSA-N 1 0 399.325 4.790 20 0 GJADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc2c(Cl)cccc12 ZINC001164861960 720985222 /nfs/dbraw/zinc/98/52/22/720985222.db2.gz RYAYRRRBNOQBOT-INIZCTEOSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1cccc2cc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164860352 721016382 /nfs/dbraw/zinc/01/63/82/721016382.db2.gz LMVVCTAMYQUJKS-MRXNPFEDSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)cc(Cl)c4C)CC3)C2)cc1 ZINC001164939354 721927502 /nfs/dbraw/zinc/92/75/02/721927502.db2.gz JRTIHAILFQGQID-UHFFFAOYSA-N 1 0 399.966 4.532 20 0 GJADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049840 721972657 /nfs/dbraw/zinc/97/26/57/721972657.db2.gz SEJJYPHJWPHRSU-HNNXBMFYSA-N 1 0 394.897 4.673 20 0 GJADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049839 721976055 /nfs/dbraw/zinc/97/60/55/721976055.db2.gz SEFDWJZJMFRTOV-OAHLLOKOSA-N 1 0 394.897 4.673 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN([C@@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995638 722199885 /nfs/dbraw/zinc/19/98/85/722199885.db2.gz WIFPWHSWPWGZAC-UXHICEINSA-N 1 0 377.866 4.583 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nncc4cc(Cl)ccc42)C3)c1 ZINC001164994872 722201203 /nfs/dbraw/zinc/20/12/03/722201203.db2.gz JAGAKPROJWDPHE-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO COc1ccc2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2c1 ZINC001164994116 722204904 /nfs/dbraw/zinc/20/49/04/722204904.db2.gz GCMXSRDSERNZLI-XMMPIXPASA-N 1 0 391.490 4.627 20 0 GJADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc3ccccc3s2)CC1 ZINC000018699296 210219321 /nfs/dbraw/zinc/21/93/21/210219321.db2.gz ZICWNSHELVDVPK-UHFFFAOYSA-N 1 0 385.920 4.559 20 0 GJADRO CCOc1c(Br)cc(C[NH2+]C2CCCC2)cc1Br ZINC000010435749 570570239 /nfs/dbraw/zinc/57/02/39/570570239.db2.gz GJLJITJXUOQWEW-UHFFFAOYSA-N 1 0 377.120 4.643 20 0 GJADRO Cc1cccc(-c2cc(C(F)(F)N3CCC(F)(C[NH3+])CC3)cnc2Cl)c1 ZINC001164387989 718813613 /nfs/dbraw/zinc/81/36/13/718813613.db2.gz LJXVAEFNBREAAR-UHFFFAOYSA-N 1 0 383.845 4.523 20 0 GJADRO Fc1cccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)cnc2Cl)c1 ZINC001164616288 719037726 /nfs/dbraw/zinc/03/77/26/719037726.db2.gz VXNHEMBYANTFQZ-UHFFFAOYSA-N 1 0 395.856 4.522 20 0 GJADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164618755 719043918 /nfs/dbraw/zinc/04/39/18/719043918.db2.gz BIHWGZKJXCIROL-MAUKXSAKSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621754 719044414 /nfs/dbraw/zinc/04/44/14/719044414.db2.gz JRPBHDIURTZFJP-YJBOKZPZSA-N 1 0 398.284 4.517 20 0 GJADRO Cc1cc2ccccc2nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791511 721492614 /nfs/dbraw/zinc/49/26/14/721492614.db2.gz CXINDLSGTHORDZ-UHFFFAOYSA-N 1 0 386.543 4.819 20 0 GJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@@H]3C2)nc1 ZINC001164900241 721499145 /nfs/dbraw/zinc/49/91/45/721499145.db2.gz NRNLAUMDAFGFDV-WBADGQHESA-N 1 0 383.580 4.660 20 0 GJADRO Cc1ccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165025527 721811424 /nfs/dbraw/zinc/81/14/24/721811424.db2.gz NGOFYFRPDZIIGM-TUACAJSNSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)c4ccccc43)C[C@H]21 ZINC001165027112 721813475 /nfs/dbraw/zinc/81/34/75/721813475.db2.gz SHKZCJYJOYDKMH-AMHTUMDSSA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc(F)cc4n3)C[C@@H]21 ZINC001165022185 721824595 /nfs/dbraw/zinc/82/45/95/721824595.db2.gz GNQPQPCJAKGELB-RZFNWQHOSA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccc(F)cc4cn3)C[C@@H]21 ZINC001165023079 721826019 /nfs/dbraw/zinc/82/60/19/721826019.db2.gz HKQSGLQRSKLSQC-OFAXGOBFSA-N 1 0 390.506 4.506 20 0 GJADRO CN(c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2)C(C)(C)C ZINC001165023161 721833998 /nfs/dbraw/zinc/83/39/98/721833998.db2.gz SWNBXSPYHVFEQO-UHFFFAOYSA-N 1 0 399.966 4.991 20 0 GJADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046260 721970601 /nfs/dbraw/zinc/97/06/01/721970601.db2.gz CEGMUOAOGWILCA-AWEZNQCLSA-N 1 0 382.886 4.606 20 0 GJADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165048689 721976979 /nfs/dbraw/zinc/97/69/79/721976979.db2.gz KNKGFQLUAZNSQX-KRWDZBQOSA-N 1 0 388.918 4.781 20 0 GJADRO c1cc2c(nc(-c3ccccn3)nc2N2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001165050178 721977751 /nfs/dbraw/zinc/97/77/51/721977751.db2.gz VLDOBPDRDORXMR-KRWDZBQOSA-N 1 0 393.560 4.598 20 0 GJADRO Clc1ccc2c(Cl)ncnc2c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049893 721978923 /nfs/dbraw/zinc/97/89/23/721978923.db2.gz NSFBVARVNKDGTG-CQSZACIVSA-N 1 0 379.335 4.781 20 0 GJADRO Clc1ccc2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164953212 722015921 /nfs/dbraw/zinc/01/59/21/722015921.db2.gz TXLJFPVKVDCSOF-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164994085 722207012 /nfs/dbraw/zinc/20/70/12/722207012.db2.gz FLEYWHOMFRINEQ-XMMPIXPASA-N 1 0 388.490 4.528 20 0 GJADRO CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@@H]21 ZINC001165006552 722245544 /nfs/dbraw/zinc/24/55/44/722245544.db2.gz ZPAZSQPMJLCIFG-UPVQGACJSA-N 1 0 390.575 4.514 20 0 GJADRO Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109527692 211446444 /nfs/dbraw/zinc/44/64/44/211446444.db2.gz XPAPKUDXVYQQHR-UHFFFAOYSA-N 1 0 399.947 4.633 20 0 GJADRO CCOc1c(Br)cc(C[NH2+]Cc2ccccc2)cc1Br ZINC000010436506 570790611 /nfs/dbraw/zinc/79/06/11/570790611.db2.gz OGWQZLVKUXEYKH-UHFFFAOYSA-N 1 0 399.126 4.900 20 0 GJADRO FC(F)(c1cccc2c(Cl)nccc21)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164424858 718944176 /nfs/dbraw/zinc/94/41/76/718944176.db2.gz QSRYDMFMUIVZAM-HKUYNNGSSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164425576 718944416 /nfs/dbraw/zinc/94/44/16/718944416.db2.gz WHFXYBDMJLMGGG-QFBILLFUSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623263 719043752 /nfs/dbraw/zinc/04/37/52/719043752.db2.gz MPENWVGTCNJFIG-FUHWJXTLSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)c1nc2ccccc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628461 719102617 /nfs/dbraw/zinc/10/26/17/719102617.db2.gz MXRJRIDDQKQZPL-YLJYHZDGSA-N 1 0 394.469 4.668 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(Cl)cc2Cl)CC3)cs1 ZINC001164691825 719803749 /nfs/dbraw/zinc/80/37/49/719803749.db2.gz KOZKZPMRKRQMFC-UHFFFAOYSA-N 1 0 397.375 4.788 20 0 GJADRO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729008 720380298 /nfs/dbraw/zinc/38/02/98/720380298.db2.gz UQUOOMFTOUVIRQ-NHCUHLMSSA-N 1 0 390.918 4.650 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc3cccc(Cl)c31)[C@H]2C ZINC001164860623 720967171 /nfs/dbraw/zinc/96/71/71/720967171.db2.gz QOEOQMYOVZNPCA-HNNXBMFYSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026240 721806284 /nfs/dbraw/zinc/80/62/84/721806284.db2.gz QEOUSGIDGPJZRT-ODGPQVTHSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)ccn3)C[C@H]21 ZINC001165022234 721806391 /nfs/dbraw/zinc/80/63/91/721806391.db2.gz IIWHHWUDNKNQIR-QLBJFCOMSA-N 1 0 398.554 4.881 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)ccnc3Cl)C[C@H]21 ZINC001165026788 721810260 /nfs/dbraw/zinc/81/02/60/721810260.db2.gz RBGCEXGBRXHNJW-QGPMSJSTSA-N 1 0 391.346 4.520 20 0 GJADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001165040808 721932244 /nfs/dbraw/zinc/93/22/44/721932244.db2.gz OHVNGNIXZGNVEP-UHFFFAOYSA-N 1 0 379.882 4.725 20 0 GJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(C)(C)C)cn4)CC3)C2)cc1 ZINC001164939851 721933799 /nfs/dbraw/zinc/93/37/99/721933799.db2.gz BNPGFJKVRVBQCT-UHFFFAOYSA-N 1 0 393.575 4.559 20 0 GJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCCC[C@@H]4c4cccnc4)ccc3C2)cc1 ZINC001165047586 721963021 /nfs/dbraw/zinc/96/30/21/721963021.db2.gz VLEIWOBLCSAZOV-XMMPIXPASA-N 1 0 384.527 4.767 20 0 GJADRO CC[NH+](CC)C1CCN(c2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC001165053421 722002378 /nfs/dbraw/zinc/00/23/78/722002378.db2.gz MKHVNVJIQNLFGG-UHFFFAOYSA-N 1 0 380.561 4.977 20 0 GJADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC([NH+](CC)CC)CC1 ZINC001165054474 722007493 /nfs/dbraw/zinc/00/74/93/722007493.db2.gz NHJAESOLHWXJCZ-UHFFFAOYSA-N 1 0 388.943 4.795 20 0 GJADRO c1ccc(-c2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2)cc1 ZINC001164952096 722015228 /nfs/dbraw/zinc/01/52/28/722015228.db2.gz HBINHDZJSMUZEH-UHFFFAOYSA-N 1 0 384.527 4.636 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nccc4c(Cl)ccnc42)C3)c1 ZINC001164995241 722194436 /nfs/dbraw/zinc/19/44/36/722194436.db2.gz SVDPOZIFDBSENO-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)cc4[nH]ccc42)C3)c1 ZINC001164993287 722195918 /nfs/dbraw/zinc/19/59/18/722195918.db2.gz FFPKOEKVGYPMGT-NRFANRHFSA-N 1 0 384.886 4.600 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncc4c(Cl)cccc4n2)C3)c1 ZINC001164997284 722201707 /nfs/dbraw/zinc/20/17/07/722201707.db2.gz YLEBQBUSQYRQDV-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]21 ZINC001165006038 722245697 /nfs/dbraw/zinc/24/56/97/722245697.db2.gz WVHNZUHODUZXKF-VWNXMTODSA-N 1 0 390.575 4.516 20 0 GJADRO COc1c(Br)cc(C[NH2+]Cc2ccccc2)cc1Br ZINC000020927073 570288057 /nfs/dbraw/zinc/28/80/57/570288057.db2.gz KTTJFRQFGIRWLB-UHFFFAOYSA-N 1 0 385.099 4.510 20 0 GJADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164387273 718803735 /nfs/dbraw/zinc/80/37/35/718803735.db2.gz LGVOTJPZYBXZTE-UHFFFAOYSA-N 1 0 398.910 4.516 20 0 GJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164418030 718891857 /nfs/dbraw/zinc/89/18/57/718891857.db2.gz NEKHYAOSKJSOGD-GOSISDBHSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164420790 718893018 /nfs/dbraw/zinc/89/30/18/718893018.db2.gz VXZLRCVXYGWNQS-GOSISDBHSA-N 1 0 379.882 4.792 20 0 GJADRO [NH3+][C@@]12C[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2 ZINC001164418898 718897507 /nfs/dbraw/zinc/89/75/07/718897507.db2.gz GLBBDHUADAHDKR-YVEFUNNKSA-N 1 0 384.257 4.528 20 0 GJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164423106 718942128 /nfs/dbraw/zinc/94/21/28/718942128.db2.gz DKFAATMYIPIPMO-OALUTQOASA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164424570 718946597 /nfs/dbraw/zinc/94/65/97/718946597.db2.gz PHQVMOKBHUPYEP-RBUKOAKNSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424565 718946860 /nfs/dbraw/zinc/94/68/60/718946860.db2.gz PHQVMOKBHUPYEP-MOPGFXCFSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCC(C2C[NH2+]C2)CC1 ZINC001164615435 719037856 /nfs/dbraw/zinc/03/78/56/719037856.db2.gz MQTNCJFQVCOZBR-UHFFFAOYSA-N 1 0 383.914 4.763 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4ccccc4cc2C)CC3)cs1 ZINC001164692241 719805992 /nfs/dbraw/zinc/80/59/92/719805992.db2.gz MCTMHYNZAKVMTP-UHFFFAOYSA-N 1 0 392.572 4.943 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2c(Cl)ccnc2Cl)CC3)cs1 ZINC001164694513 719807976 /nfs/dbraw/zinc/80/79/76/719807976.db2.gz ZEWJLJUETGIAIW-UHFFFAOYSA-N 1 0 397.375 4.788 20 0 GJADRO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729010 720379885 /nfs/dbraw/zinc/37/98/85/720379885.db2.gz UQUOOMFTOUVIRQ-RTWAWAEBSA-N 1 0 390.918 4.650 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc3cc(Cl)ccc31)[C@H]2C ZINC001164860034 720947927 /nfs/dbraw/zinc/94/79/27/720947927.db2.gz PHDKUTSNLDOJGQ-HNNXBMFYSA-N 1 0 383.927 4.506 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc3cc(Cl)ccc31)[C@@H]2C ZINC001164860037 720948395 /nfs/dbraw/zinc/94/83/95/720948395.db2.gz PHDKUTSNLDOJGQ-OAHLLOKOSA-N 1 0 383.927 4.506 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3cc1Cl)[C@H]2C ZINC001164858633 720949088 /nfs/dbraw/zinc/94/90/88/720949088.db2.gz JRTQFMHAFMZXAN-HNNXBMFYSA-N 1 0 383.927 4.506 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc3c(Cl)cccc31)[C@H]2C ZINC001164857960 720958399 /nfs/dbraw/zinc/95/83/99/720958399.db2.gz IMGRZAZXIIBYAZ-HNNXBMFYSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1ccc2c(c1)nc(Cl)cc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858970 720973002 /nfs/dbraw/zinc/97/30/02/720973002.db2.gz JPPFKTBBUWPZRV-INIZCTEOSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1c(Cl)ccc2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nc21 ZINC001164860527 720989489 /nfs/dbraw/zinc/98/94/89/720989489.db2.gz OMODHBCGLWBIOJ-MRXNPFEDSA-N 1 0 397.954 4.815 20 0 GJADRO CC(C)c1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc(C(C)(C)C)n1 ZINC001164857967 721010224 /nfs/dbraw/zinc/01/02/24/721010224.db2.gz DRRVNCRQZCFNTD-QGZVFWFLSA-N 1 0 398.599 4.515 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(C5CC5)cn4)CC3)CC2)cc1 ZINC001164759820 721043812 /nfs/dbraw/zinc/04/38/12/721043812.db2.gz QJNHAZTWWITXTI-UHFFFAOYSA-N 1 0 376.548 4.545 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C5CC5)nn4)CC3)CC2)cc1 ZINC001164760591 721044680 /nfs/dbraw/zinc/04/46/80/721044680.db2.gz XFRVLPOFBQOPKA-UHFFFAOYSA-N 1 0 376.548 4.545 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(Cl)cc4N)CC3)CC2)cc1 ZINC001164759507 721045529 /nfs/dbraw/zinc/04/55/29/721045529.db2.gz NNXVWCNHAYUGJZ-UHFFFAOYSA-N 1 0 384.955 4.508 20 0 GJADRO Cc1cccc2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165020405 721799346 /nfs/dbraw/zinc/79/93/46/721799346.db2.gz FPRODLLEPHFFBL-MDNUFGMLSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3Cl)C[C@H]21 ZINC001165020328 721800770 /nfs/dbraw/zinc/80/07/70/721800770.db2.gz FDVVGJKNWKCNLH-LSBZLQRGSA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)ccnc3Cl)C[C@H]21 ZINC001165026791 721810250 /nfs/dbraw/zinc/81/02/50/721810250.db2.gz RBGCEXGBRXHNJW-YXJHDRRASA-N 1 0 391.346 4.520 20 0 GJADRO Cc1cccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165028917 721827991 /nfs/dbraw/zinc/82/79/91/721827991.db2.gz VXRVTFOCNWAZBX-ACIOBRDBSA-N 1 0 386.543 4.675 20 0 GJADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)C1 ZINC001165036072 721897802 /nfs/dbraw/zinc/89/78/02/721897802.db2.gz RLKCGJBQROSCJF-INIZCTEOSA-N 1 0 383.845 4.616 20 0 GJADRO C[NH+](C)CC1CCN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)CC1 ZINC001165042321 721944161 /nfs/dbraw/zinc/94/41/61/721944161.db2.gz NJTWIXNHIWIEEW-UHFFFAOYSA-N 1 0 379.882 4.725 20 0 GJADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046573 721974162 /nfs/dbraw/zinc/97/41/62/721974162.db2.gz AGYAKFNKVATBEU-OAHLLOKOSA-N 1 0 382.886 4.606 20 0 GJADRO Fc1ccc2nc(C(F)F)nc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1 ZINC001165051152 721978260 /nfs/dbraw/zinc/97/82/60/721978260.db2.gz ZIUYAGGBZCPNDK-HNNXBMFYSA-N 1 0 378.442 4.551 20 0 GJADRO CC[NH+](CC)C1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)CC1 ZINC001165052641 722001761 /nfs/dbraw/zinc/00/17/61/722001761.db2.gz BBWQFMSWGFLHCC-UHFFFAOYSA-N 1 0 387.742 4.901 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nnc(Cl)c4ccccc42)C3)c1 ZINC001164994679 722194223 /nfs/dbraw/zinc/19/42/23/722194223.db2.gz OZAFTJHYVYHSFR-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4cc(F)ccc4n2)C3)c1 ZINC001164993616 722197824 /nfs/dbraw/zinc/19/78/24/722197824.db2.gz FOQRRBDCJYUSQT-QHCPKHFHSA-N 1 0 379.454 4.758 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc4nccc(Cl)c4cn2)C3)c1 ZINC001164995803 722199033 /nfs/dbraw/zinc/19/90/33/722199033.db2.gz YBXPNBITMDPLNU-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)cc(Cl)n2)CC3)cs1 ZINC001164694413 719803986 /nfs/dbraw/zinc/80/39/86/719803986.db2.gz YMBRDQKAZCYPIM-UHFFFAOYSA-N 1 0 397.375 4.788 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc4ccccc4cn2)CC3)cs1 ZINC001164691038 719805534 /nfs/dbraw/zinc/80/55/34/719805534.db2.gz DGOLMGXEELHUQB-UHFFFAOYSA-N 1 0 378.545 4.635 20 0 GJADRO Cc1cc2c(ccnc2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)o1 ZINC001164691541 719814749 /nfs/dbraw/zinc/81/47/49/719814749.db2.gz GRCCBBIJMFLIPL-UHFFFAOYSA-N 1 0 382.533 4.536 20 0 GJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccsc31)CC2 ZINC001164841197 720679611 /nfs/dbraw/zinc/67/96/11/720679611.db2.gz IDCFKPMKVCOJCK-HXUWFJFHSA-N 1 0 393.556 4.556 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(Cl)nc(C)n4)CC3)CC2)cc1 ZINC001164763839 721041072 /nfs/dbraw/zinc/04/10/72/721041072.db2.gz MANVAWFMLCWETK-UHFFFAOYSA-N 1 0 384.955 4.629 20 0 GJADRO C[NH+](C)Cc1ccnc(N2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)c1 ZINC001164888386 721453976 /nfs/dbraw/zinc/45/39/76/721453976.db2.gz LUXQEDUUTLYMLY-UHFFFAOYSA-N 1 0 387.527 4.888 20 0 GJADRO Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c1 ZINC001165019618 721799886 /nfs/dbraw/zinc/79/98/86/721799886.db2.gz DJAPSIHQRAGMFC-FJIJXJHWSA-N 1 0 386.543 4.675 20 0 GJADRO Cc1cccc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165028927 721828078 /nfs/dbraw/zinc/82/80/78/721828078.db2.gz VXRVTFOCNWAZBX-WWNPGLIZSA-N 1 0 386.543 4.675 20 0 GJADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046282 721967461 /nfs/dbraw/zinc/96/74/61/721967461.db2.gz CLKLLKPVJFVFCF-INIZCTEOSA-N 1 0 394.897 4.673 20 0 GJADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047127 721968649 /nfs/dbraw/zinc/96/86/49/721968649.db2.gz IRYBQZSSRFJIHP-MRXNPFEDSA-N 1 0 394.897 4.673 20 0 GJADRO CSc1ccc(Oc2cc(N3CCCC[C@@H]3CC[NH+]3CCCC3)ncn2)cc1 ZINC001165049863 721974105 /nfs/dbraw/zinc/97/41/05/721974105.db2.gz SWUHEBFNDCZNED-GOSISDBHSA-N 1 0 398.576 4.836 20 0 GJADRO CSc1ccc(Oc2cc(N3CCCC[C@H]3CC[NH+]3CCCC3)ncn2)cc1 ZINC001165049864 721974127 /nfs/dbraw/zinc/97/41/27/721974127.db2.gz SWUHEBFNDCZNED-SFHVURJKSA-N 1 0 398.576 4.836 20 0 GJADRO Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ncccc3C[NH+]3CCCC3)C2)c1 ZINC001165048747 721980147 /nfs/dbraw/zinc/98/01/47/721980147.db2.gz GEWSPVQLFQDFPQ-LJQANCHMSA-N 1 0 385.939 4.687 20 0 GJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)nc1 ZINC001165050853 721993616 /nfs/dbraw/zinc/99/36/16/721993616.db2.gz BQOLCSXALSTXRR-VQTJNVASSA-N 1 0 387.568 4.577 20 0 GJADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)CC1 ZINC001165053778 722005622 /nfs/dbraw/zinc/00/56/22/722005622.db2.gz VGWZEDZYXSQKCB-UHFFFAOYSA-N 1 0 396.485 4.886 20 0 GJADRO CC[NH+](CC)C1CCN(c2ncnc3sc(C)c(-c4ccccc4)c32)CC1 ZINC001165053091 722005765 /nfs/dbraw/zinc/00/57/65/722005765.db2.gz IDALSHUISMCAOK-UHFFFAOYSA-N 1 0 380.561 4.977 20 0 GJADRO Clc1ccc2c(ccnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164952434 722015643 /nfs/dbraw/zinc/01/56/43/722015643.db2.gz KFJKTURKIIKDMY-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO COc1ccc2ccnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164996621 722205756 /nfs/dbraw/zinc/20/57/56/722205756.db2.gz UNNRDQGWAHPWDD-DEOSSOPVSA-N 1 0 391.490 4.627 20 0 GJADRO CCOc1cc(C[NH2+]Cc2ccccc2OC)ccc1OCc1ccccc1 ZINC000013720342 210085203 /nfs/dbraw/zinc/08/52/03/210085203.db2.gz ODCLFKVKNSXESB-UHFFFAOYSA-N 1 0 377.484 4.963 20 0 GJADRO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000013718700 210082771 /nfs/dbraw/zinc/08/27/71/210082771.db2.gz QQMSIVMXBVHPAA-UHFFFAOYSA-N 1 0 395.474 4.754 20 0 GJADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000028646999 209243320 /nfs/dbraw/zinc/24/33/20/209243320.db2.gz YIDSTCHPVRDJTD-UHFFFAOYSA-N 1 0 392.330 4.534 20 0 GJADRO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCc1c(Cl)cccc1Cl ZINC000040736890 205071456 /nfs/dbraw/zinc/07/14/56/205071456.db2.gz SCARVHFYHMLUBS-HNNXBMFYSA-N 1 0 398.330 4.832 20 0 GJADRO COc1c(Br)cc(C[NH2+]Cc2cccs2)cc1Br ZINC000020927197 210370460 /nfs/dbraw/zinc/37/04/60/210370460.db2.gz VAGGMIPDZUCWMZ-UHFFFAOYSA-N 1 0 391.128 4.572 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001164411985 718877637 /nfs/dbraw/zinc/87/76/37/718877637.db2.gz SMDBSRNRSYMGNN-HZPDHXFCSA-N 1 0 384.257 4.541 20 0 GJADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621763 719044070 /nfs/dbraw/zinc/04/40/70/719044070.db2.gz JSPCHGJDQSZLTN-RDTXWAMCSA-N 1 0 398.284 4.517 20 0 GJADRO Fc1ccc2c(Cl)nnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164626853 719106443 /nfs/dbraw/zinc/10/64/43/719106443.db2.gz JFEGJMTXIFGMJC-UZLBHIALSA-N 1 0 396.897 4.523 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4ccc(C)cc42)CC3)cs1 ZINC001164693948 719808354 /nfs/dbraw/zinc/80/83/54/719808354.db2.gz SOVUUNVYBRQRJY-UHFFFAOYSA-N 1 0 392.572 4.943 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3cccc(Cl)c3n1)[C@@H]2C ZINC001164859359 720951894 /nfs/dbraw/zinc/95/18/94/720951894.db2.gz MZYVGOCHNFCWOX-OAHLLOKOSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(C)cc(Cl)n4)CC3)CC2)cc1 ZINC001164760806 721042118 /nfs/dbraw/zinc/04/21/18/721042118.db2.gz DJYPLYQUOZBWMJ-UHFFFAOYSA-N 1 0 384.955 4.629 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc5ncccc54)CC3)CC2)cc1 ZINC001164761409 721042520 /nfs/dbraw/zinc/04/25/20/721042520.db2.gz FZFIODQAXPNNEM-UHFFFAOYSA-N 1 0 386.543 4.821 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C(C)C)nn4)CC3)CC2)cc1 ZINC001164759821 721043310 /nfs/dbraw/zinc/04/33/10/721043310.db2.gz QJQBXOFOCPOGGN-UHFFFAOYSA-N 1 0 378.564 4.791 20 0 GJADRO Cc1ccc(-c2csc3ncnc(N4CC5(C4)CC[N@H+](CC4CC4)C5)c23)cc1 ZINC001164771970 721285999 /nfs/dbraw/zinc/28/59/99/721285999.db2.gz BGWSOYOJOWAKFX-UHFFFAOYSA-N 1 0 390.556 4.589 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(Cl)cc1Cl)CC2 ZINC001164793222 721489961 /nfs/dbraw/zinc/48/99/61/721489961.db2.gz QDVJBDDNTOXBNX-UHFFFAOYSA-N 1 0 391.346 4.664 20 0 GJADRO Clc1cccc2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164951786 722018107 /nfs/dbraw/zinc/01/81/07/722018107.db2.gz DSOVRZMTNAZAJB-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(Cl)cc(Cl)n2)C3)c1 ZINC001164994142 722191619 /nfs/dbraw/zinc/19/16/19/722191619.db2.gz KPQWLLMYNOREMS-IBGZPJMESA-N 1 0 380.294 4.772 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccnc(-c4ccccc4)n2)C3)c1 ZINC001164994301 722194175 /nfs/dbraw/zinc/19/41/75/722194175.db2.gz MVCSZHKFHIYJNY-DEOSSOPVSA-N 1 0 388.490 4.528 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc4nccc(Cl)c4cn2)C3)c1 ZINC001164995805 722199313 /nfs/dbraw/zinc/19/93/13/722199313.db2.gz YBXPNBITMDPLNU-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncc4cc(Cl)ccc4n2)C3)c1 ZINC001164996657 722201798 /nfs/dbraw/zinc/20/17/98/722201798.db2.gz UWWZHKLHRYWUBJ-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(-c4ccccc4)ncn2)C3)c1 ZINC001164997207 722207155 /nfs/dbraw/zinc/20/71/55/722207155.db2.gz XBXOICJJIHKPIV-DEOSSOPVSA-N 1 0 388.490 4.528 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4ccc(F)cc4n2)C3)c1 ZINC001164996311 722208608 /nfs/dbraw/zinc/20/86/08/722208608.db2.gz TUPSYPYYHLSWHT-HSZRJFAPSA-N 1 0 379.454 4.758 20 0 GJADRO Cc1cc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2cc1C ZINC001164994809 722212412 /nfs/dbraw/zinc/21/24/12/722212412.db2.gz DORZRFSHXJZFDR-DEOSSOPVSA-N 1 0 390.506 4.631 20 0 GJADRO CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]21 ZINC001165006031 722245802 /nfs/dbraw/zinc/24/58/02/722245802.db2.gz WVHNZUHODUZXKF-ISKFKSNPSA-N 1 0 390.575 4.516 20 0 GJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2ccccc2cc1OC ZINC000007945682 204255790 /nfs/dbraw/zinc/25/57/90/204255790.db2.gz ZHPKERODIRLYDK-UHFFFAOYSA-N 1 0 376.500 4.620 20 0 GJADRO Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000021840698 204766709 /nfs/dbraw/zinc/76/67/09/204766709.db2.gz FGMVOQOPMZYZIS-UHFFFAOYSA-N 1 0 385.511 4.583 20 0 GJADRO CCC(CC)(CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000072114227 211070280 /nfs/dbraw/zinc/07/02/80/211070280.db2.gz SKRJUTMVRJHHAY-UHFFFAOYSA-N 1 0 396.550 4.912 20 0 GJADRO OC1(c2ccc(Br)cc2)CC[NH+](Cc2coc3ccccc23)CC1 ZINC000053226379 210870775 /nfs/dbraw/zinc/87/07/75/210870775.db2.gz MBYOOAKPAWQCID-UHFFFAOYSA-N 1 0 386.289 4.679 20 0 GJADRO CCCCCC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000020927232 210371081 /nfs/dbraw/zinc/37/10/81/210371081.db2.gz YXZYNVVOWZYUMJ-UHFFFAOYSA-N 1 0 379.136 4.890 20 0 GJADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CC2 ZINC001164387205 718801873 /nfs/dbraw/zinc/80/18/73/718801873.db2.gz IVDOJINWMHAALU-UHFFFAOYSA-N 1 0 386.273 4.794 20 0 GJADRO FC(F)(c1cc2ccccc2nc1Cl)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164421229 718892647 /nfs/dbraw/zinc/89/26/47/718892647.db2.gz WHXKHSAYHKXBGL-GOSISDBHSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164416711 718892710 /nfs/dbraw/zinc/89/27/10/718892710.db2.gz FSOFPPVIFVKVJZ-ZDUSSCGKSA-N 1 0 398.712 4.945 20 0 GJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164420792 718893001 /nfs/dbraw/zinc/89/30/01/718893001.db2.gz VXZLRCVXYGWNQS-SFHVURJKSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCCC12CC[NH2+]CC2 ZINC001164419432 718912935 /nfs/dbraw/zinc/91/29/35/718912935.db2.gz AIXGMLNGJMLMAN-UHFFFAOYSA-N 1 0 381.854 4.652 20 0 GJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423108 718941985 /nfs/dbraw/zinc/94/19/85/718941985.db2.gz DKFAATMYIPIPMO-RTBURBONSA-N 1 0 385.845 4.509 20 0 GJADRO Fc1ccccc1-c1cc(C(F)(F)N2CCC(C3C[NH2+]C3)CC2)cnc1Cl ZINC001164614642 719037784 /nfs/dbraw/zinc/03/77/84/719037784.db2.gz DRUHAZOIWUPISB-UHFFFAOYSA-N 1 0 395.856 4.522 20 0 GJADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623267 719043883 /nfs/dbraw/zinc/04/38/83/719043883.db2.gz MPENWVGTCNJFIG-WMZOPIPTSA-N 1 0 398.284 4.517 20 0 GJADRO Fc1ccc2c(Cl)nnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164626848 719105756 /nfs/dbraw/zinc/10/57/56/719105756.db2.gz JFEGJMTXIFGMJC-OXJNMPFZSA-N 1 0 396.897 4.523 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4cc(C)ccc4n2)CC3)cs1 ZINC001164691468 719803374 /nfs/dbraw/zinc/80/33/74/719803374.db2.gz HQEODCPKKQSNQL-UHFFFAOYSA-N 1 0 392.572 4.943 20 0 GJADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc2cc(Cl)ccc12 ZINC001164863530 720976699 /nfs/dbraw/zinc/97/66/99/720976699.db2.gz WBCONEYAGARUNR-INIZCTEOSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1nc2scc(-c3cccs3)c2c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164769650 721299137 /nfs/dbraw/zinc/29/91/37/721299137.db2.gz KMIGHLLRRFQROK-UHFFFAOYSA-N 1 0 396.585 4.650 20 0 GJADRO Cc1cc(Cl)c(C)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792534 721496593 /nfs/dbraw/zinc/49/65/93/721496593.db2.gz QHSOOOJDQNAKCI-UHFFFAOYSA-N 1 0 384.955 4.628 20 0 GJADRO Cc1cccc2c1ccnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025980 721812919 /nfs/dbraw/zinc/81/29/19/721812919.db2.gz OSMHINOFNSAGGR-IEXUWNMDSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc(F)cc4n3)C[C@@H]21 ZINC001165022176 721824617 /nfs/dbraw/zinc/82/46/17/721824617.db2.gz GNQPQPCJAKGELB-AVCGJXAMSA-N 1 0 390.506 4.506 20 0 GJADRO CN(CCCc1ccccc1)C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001165036775 721880920 /nfs/dbraw/zinc/88/09/20/721880920.db2.gz NKZJVPJWSNMRCP-UHFFFAOYSA-N 1 0 391.893 4.726 20 0 GJADRO c1cc2c(nc(-c3ccccn3)nc2N2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001165050180 721977877 /nfs/dbraw/zinc/97/78/77/721977877.db2.gz VLDOBPDRDORXMR-QGZVFWFLSA-N 1 0 393.560 4.598 20 0 GJADRO Clc1cc2ccccc2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952500 722015928 /nfs/dbraw/zinc/01/59/28/722015928.db2.gz MCFNEWBHISTJGO-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO Cc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)cc1Cl ZINC001164955434 722020406 /nfs/dbraw/zinc/02/04/06/722020406.db2.gz GPPHDSWRTGLWGR-UHFFFAOYSA-N 1 0 391.346 4.584 20 0 GJADRO Cc1c(Cl)cnc(Cl)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955928 722020491 /nfs/dbraw/zinc/02/04/91/722020491.db2.gz UAMHHRGAQPGVFD-UHFFFAOYSA-N 1 0 391.346 4.584 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4cc(F)ccc4n2)C3)c1 ZINC001164993615 722197955 /nfs/dbraw/zinc/19/79/55/722197955.db2.gz FOQRRBDCJYUSQT-HSZRJFAPSA-N 1 0 379.454 4.758 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN([C@@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995641 722199695 /nfs/dbraw/zinc/19/96/95/722199695.db2.gz WIFPWHSWPWGZAC-WOJBJXKFSA-N 1 0 377.866 4.583 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncc(F)c4ccccc42)C3)c1 ZINC001164994475 722200682 /nfs/dbraw/zinc/20/06/82/722200682.db2.gz HULQRYJTHUGTGW-HSZRJFAPSA-N 1 0 379.454 4.758 20 0 GJADRO COc1ccc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2c1 ZINC001164994114 722205427 /nfs/dbraw/zinc/20/54/27/722205427.db2.gz GCMXSRDSERNZLI-DEOSSOPVSA-N 1 0 391.490 4.627 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(-c4cccs4)ncn2)C3)c1 ZINC001164996245 722209249 /nfs/dbraw/zinc/20/92/49/722209249.db2.gz SCVCNURUMJPLDX-JOCHJYFZSA-N 1 0 394.519 4.589 20 0 GJADRO Cc1cc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2cc1C ZINC001164994811 722212128 /nfs/dbraw/zinc/21/21/28/722212128.db2.gz DORZRFSHXJZFDR-XMMPIXPASA-N 1 0 390.506 4.631 20 0 GJADRO Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC([NH3+])C4)CC3)cnc2Cl)c1 ZINC001164386941 718802719 /nfs/dbraw/zinc/80/27/19/718802719.db2.gz HRQRLROJCKAXMM-UHFFFAOYSA-N 1 0 391.893 4.963 20 0 GJADRO [NH3+]CC1(F)CCN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)CC1 ZINC001164388488 718813699 /nfs/dbraw/zinc/81/36/99/718813699.db2.gz OOVZMZGAUPOWKH-UHFFFAOYSA-N 1 0 375.866 4.595 20 0 GJADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCC2(CCCC2)CC1 ZINC001164418842 718894107 /nfs/dbraw/zinc/89/41/07/718894107.db2.gz FKHPLOKPZDGJCT-UHFFFAOYSA-N 1 0 381.898 4.817 20 0 GJADRO FC(F)(c1cccc2c(Cl)nccc21)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164424865 718944052 /nfs/dbraw/zinc/94/40/52/718944052.db2.gz QSRYDMFMUIVZAM-PKOBYXMFSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001164449154 719002915 /nfs/dbraw/zinc/00/29/15/719002915.db2.gz LWIPUCZLQZJZKO-HOTGVXAUSA-N 1 0 384.257 4.541 20 0 GJADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164625514 719044094 /nfs/dbraw/zinc/04/40/94/719044094.db2.gz PXHUAOMXLNTWBN-MAUKXSAKSA-N 1 0 398.284 4.517 20 0 GJADRO Fc1cc2ncnc(Cl)c2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164628039 719091906 /nfs/dbraw/zinc/09/19/06/719091906.db2.gz LWFLPLLNGRWJOH-JXFKEZNVSA-N 1 0 396.897 4.523 20 0 GJADRO FC(F)c1nc2ccccc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628459 719102526 /nfs/dbraw/zinc/10/25/26/719102526.db2.gz MXRJRIDDQKQZPL-XLIONFOSSA-N 1 0 394.469 4.668 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3sccc31)[C@@H]2C ZINC001164862428 720947853 /nfs/dbraw/zinc/94/78/53/720947853.db2.gz VMSUPJBWMCPNCL-CYBMUJFWSA-N 1 0 389.956 4.568 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3cc1Cl)[C@@H]2C ZINC001164858636 720948501 /nfs/dbraw/zinc/94/85/01/720948501.db2.gz JRTQFMHAFMZXAN-OAHLLOKOSA-N 1 0 383.927 4.506 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc3c(Cl)cccc31)[C@@H]2C ZINC001164857961 720957465 /nfs/dbraw/zinc/95/74/65/720957465.db2.gz IMGRZAZXIIBYAZ-OAHLLOKOSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1ccc2cc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164864130 720979554 /nfs/dbraw/zinc/97/95/54/720979554.db2.gz XQUKOPXWKKDUKX-MRXNPFEDSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1cccc2cc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164860351 721016806 /nfs/dbraw/zinc/01/68/06/721016806.db2.gz LMVVCTAMYQUJKS-INIZCTEOSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1cncc(COC[C@]23CCC[C@@H]2C[N@@H+](C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804052 721601903 /nfs/dbraw/zinc/60/19/03/721601903.db2.gz WOCCOPVRFYQYFN-NFBKMPQASA-N 1 0 399.966 4.992 20 0 GJADRO Cc1cccc2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165020402 721798778 /nfs/dbraw/zinc/79/87/78/721798778.db2.gz FPRODLLEPHFFBL-ACIOBRDBSA-N 1 0 386.543 4.675 20 0 GJADRO Fc1ccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)c3ccccc32)cc1 ZINC001165031578 721860200 /nfs/dbraw/zinc/86/02/00/721860200.db2.gz CQMLYJJIGGRSQY-UHFFFAOYSA-N 1 0 376.479 4.501 20 0 GJADRO C[NH+](C)CC1CCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC001165045611 721948815 /nfs/dbraw/zinc/94/88/15/721948815.db2.gz SOZKTLHELXSDJR-UHFFFAOYSA-N 1 0 398.601 4.687 20 0 GJADRO C[NH+](C)CC1CCN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)CC1 ZINC001165041951 721950459 /nfs/dbraw/zinc/95/04/59/721950459.db2.gz DJVZVNICDVKFDN-UHFFFAOYSA-N 1 0 395.881 4.605 20 0 GJADRO C[NH+](C)CC1CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001165042844 721951519 /nfs/dbraw/zinc/95/15/19/721951519.db2.gz TWSCFRVYKJVDOJ-UHFFFAOYSA-N 1 0 385.911 4.786 20 0 GJADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046568 721972550 /nfs/dbraw/zinc/97/25/50/721972550.db2.gz AGKQQCBHZILWQP-KRWDZBQOSA-N 1 0 394.897 4.673 20 0 GJADRO Cc1ccc(Cl)c(O[C@H]2CCCN(c3ncccc3C[NH+]3CCCC3)C2)c1 ZINC001165048745 721979806 /nfs/dbraw/zinc/97/98/06/721979806.db2.gz GEWSPVQLFQDFPQ-IBGZPJMESA-N 1 0 385.939 4.687 20 0 GJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164979715 722166288 /nfs/dbraw/zinc/16/62/88/722166288.db2.gz VTQAHXXMRLUPNE-KNQAVFIVSA-N 1 0 392.971 4.800 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4cc(Cl)cnc4n2)C3)c1 ZINC001164993258 722198363 /nfs/dbraw/zinc/19/83/63/722198363.db2.gz DOOLUEVUHSNJSK-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc4[nH]ccc4cc2Cl)C3)c1 ZINC001164996324 722202857 /nfs/dbraw/zinc/20/28/57/722202857.db2.gz TXUUTHRYHPLZLJ-OAQYLSRUSA-N 1 0 384.886 4.552 20 0 GJADRO CSc1cc(Cl)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995995 722206633 /nfs/dbraw/zinc/20/66/33/722206633.db2.gz RFUYIWXNDVQJQB-FQEVSTJZSA-N 1 0 391.943 4.841 20 0 GJADRO COc1cccc(NC(=O)CNc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000021892159 210399088 /nfs/dbraw/zinc/39/90/88/210399088.db2.gz WCJBWAFONLLKEF-UHFFFAOYSA-N 1 0 381.520 4.510 20 0 GJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164424042 718943646 /nfs/dbraw/zinc/94/36/46/718943646.db2.gz NILVPHBQQGYJSM-FUHWJXTLSA-N 1 0 385.845 4.509 20 0 GJADRO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725843 720379663 /nfs/dbraw/zinc/37/96/63/720379663.db2.gz NTQPYZBWZIHMBM-RTWAWAEBSA-N 1 0 390.918 4.650 20 0 GJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccsc31)CC2 ZINC001164841193 720679646 /nfs/dbraw/zinc/67/96/46/720679646.db2.gz IDCFKPMKVCOJCK-FQEVSTJZSA-N 1 0 393.556 4.556 20 0 GJADRO Cc1nc(Cl)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164844837 720694221 /nfs/dbraw/zinc/69/42/21/720694221.db2.gz VJZGXZAMGKBLGR-FQEVSTJZSA-N 1 0 399.966 4.612 20 0 GJADRO Cc1cc(Cl)c(C)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842009 720696531 /nfs/dbraw/zinc/69/65/31/720696531.db2.gz KVFPLHSKCFPHRS-HXUWFJFHSA-N 1 0 399.966 4.612 20 0 GJADRO CC(C)c1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc(C(C)(C)C)n1 ZINC001164857966 721011135 /nfs/dbraw/zinc/01/11/35/721011135.db2.gz DRRVNCRQZCFNTD-KRWDZBQOSA-N 1 0 398.599 4.515 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)ccnc1Cl)CC2 ZINC001164792244 721494834 /nfs/dbraw/zinc/49/48/34/721494834.db2.gz LKPYOURRWIPPKO-UHFFFAOYSA-N 1 0 391.346 4.664 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)ccn3)C[C@H]21 ZINC001165022221 721806552 /nfs/dbraw/zinc/80/65/52/721806552.db2.gz IIWHHWUDNKNQIR-ICDZXHCJSA-N 1 0 398.554 4.881 20 0 GJADRO Cc1sc2nc(-c3cccs3)nc(N3CCC(C[NH+](C)C)CC3)c2c1C ZINC001165044877 721948827 /nfs/dbraw/zinc/94/88/27/721948827.db2.gz JSTLAHBPTGVKOQ-UHFFFAOYSA-N 1 0 386.590 4.815 20 0 GJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047025 721974580 /nfs/dbraw/zinc/97/45/80/721974580.db2.gz DHLLXLWSEDHVJS-INIZCTEOSA-N 1 0 375.948 4.510 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4ccc(Cl)cc42)C3)c1 ZINC001164995812 722195273 /nfs/dbraw/zinc/19/52/73/722195273.db2.gz YENVVVISRPNQCW-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cnc4c(Cl)cccc4n2)C3)c1 ZINC001164995656 722197323 /nfs/dbraw/zinc/19/73/23/722197323.db2.gz WQEPGJTUNSPXGC-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc4ccc(Cl)nc4cn2)C3)c1 ZINC001164995919 722200894 /nfs/dbraw/zinc/20/08/94/722200894.db2.gz PWSGZZPEZGXOAR-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1csc(Cc2ccccc2)n1 ZINC000019372810 210246517 /nfs/dbraw/zinc/24/65/17/210246517.db2.gz DXGUBDXROCOLBU-UHFFFAOYSA-N 1 0 391.540 4.625 20 0 GJADRO CCC[N@H+](CCC(=O)Nc1cc(C)on1)[C@H](C)c1ccccc1Br ZINC000071954053 205299577 /nfs/dbraw/zinc/29/95/77/205299577.db2.gz JZWIZJVPMRCCCW-CQSZACIVSA-N 1 0 394.313 4.547 20 0 GJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424041 718943562 /nfs/dbraw/zinc/94/35/62/718943562.db2.gz NILVPHBQQGYJSM-AEFFLSMTSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001164449153 719003002 /nfs/dbraw/zinc/00/30/02/719003002.db2.gz LWIPUCZLQZJZKO-CVEARBPZSA-N 1 0 384.257 4.541 20 0 GJADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624611 719045894 /nfs/dbraw/zinc/04/58/94/719045894.db2.gz OKAQHHACORFXDV-KSSFIOAISA-N 1 0 398.284 4.517 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4cccc(C)c4n2)CC3)cs1 ZINC001164691435 719803198 /nfs/dbraw/zinc/80/31/98/719803198.db2.gz GSOPULBOMHLAEZ-UHFFFAOYSA-N 1 0 392.572 4.943 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cc(F)ccc4n3)C[C@H]21 ZINC001165023601 721809559 /nfs/dbraw/zinc/80/95/59/721809559.db2.gz IHHQRQRKPOHTFG-JMUQELJHSA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)ccnc3Cl)C[C@@H]21 ZINC001165026790 721810378 /nfs/dbraw/zinc/81/03/78/721810378.db2.gz RBGCEXGBRXHNJW-UWWQBHOKSA-N 1 0 391.346 4.520 20 0 GJADRO Cc1cccc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165028923 721828268 /nfs/dbraw/zinc/82/82/68/721828268.db2.gz VXRVTFOCNWAZBX-PMVMPFDFSA-N 1 0 386.543 4.675 20 0 GJADRO Fc1ccc(OC2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c(Cl)c1 ZINC001165033575 721880351 /nfs/dbraw/zinc/88/03/51/721880351.db2.gz SKWIEPHNXCIMBS-UHFFFAOYSA-N 1 0 389.902 4.518 20 0 GJADRO C[NH+](C)CC1CCN(c2nc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC001165041768 721946711 /nfs/dbraw/zinc/94/67/11/721946711.db2.gz LBWKEHSXRCCUGF-UHFFFAOYSA-N 1 0 380.923 4.728 20 0 GJADRO C[NH+](C)CC1CCN(c2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001165044780 721947664 /nfs/dbraw/zinc/94/76/64/721947664.db2.gz IKNNHOBBRZGXMR-UHFFFAOYSA-N 1 0 386.952 4.790 20 0 GJADRO Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)c1 ZINC001165050243 721979853 /nfs/dbraw/zinc/97/98/53/721979853.db2.gz RQODZNXMGIAQDH-LJQANCHMSA-N 1 0 385.939 4.687 20 0 GJADRO Cc1ccc(Cl)c(O[C@H]2CCCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C2)c1 ZINC001165049894 721979856 /nfs/dbraw/zinc/97/98/56/721979856.db2.gz NTEFNNWWAQUIMT-IBGZPJMESA-N 1 0 385.939 4.685 20 0 GJADRO Clc1ccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164955458 722019641 /nfs/dbraw/zinc/01/96/41/722019641.db2.gz HOYINCXXSMKQRL-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nccc4ccc(F)cc42)C3)c1 ZINC001164995905 722201079 /nfs/dbraw/zinc/20/10/79/722201079.db2.gz PSDJKTXDMBKOBC-QHCPKHFHSA-N 1 0 379.454 4.758 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4c(Cl)ccnc4n2)C3)c1 ZINC001164997306 722202693 /nfs/dbraw/zinc/20/26/93/722202693.db2.gz YYZHNVZNSUKGFH-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO COc1ccc2ccnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164996624 722206247 /nfs/dbraw/zinc/20/62/47/722206247.db2.gz UNNRDQGWAHPWDD-XMMPIXPASA-N 1 0 391.490 4.627 20 0 GJADRO CCc1nc2sccc2c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994365 722211338 /nfs/dbraw/zinc/21/13/38/722211338.db2.gz BEJVMKUDUADEDQ-JOCHJYFZSA-N 1 0 396.535 4.638 20 0 GJADRO CCCCC[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000010474816 570571286 /nfs/dbraw/zinc/57/12/86/570571286.db2.gz ZMRIFYPAKCTKCO-UHFFFAOYSA-N 1 0 379.136 4.890 20 0 GJADRO CC(C)OCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013722117 570780542 /nfs/dbraw/zinc/78/05/42/570780542.db2.gz RPMCRUUAQVPMSM-UHFFFAOYSA-N 1 0 392.337 4.933 20 0 GJADRO FC(F)(c1cc2ccccc2nc1Cl)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164421231 718892484 /nfs/dbraw/zinc/89/24/84/718892484.db2.gz WHXKHSAYHKXBGL-SFHVURJKSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCCCC12CC[NH2+]CC2 ZINC001164420467 718911867 /nfs/dbraw/zinc/91/18/67/718911867.db2.gz JFXBHIUCLNXGEO-UHFFFAOYSA-N 1 0 398.910 4.516 20 0 GJADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164620698 719043866 /nfs/dbraw/zinc/04/38/66/719043866.db2.gz GPCUCLANKLEWIS-YJBOKZPZSA-N 1 0 398.284 4.517 20 0 GJADRO Fc1cc2ncnc(Cl)c2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164628041 719092257 /nfs/dbraw/zinc/09/22/57/719092257.db2.gz LWFLPLLNGRWJOH-OXJNMPFZSA-N 1 0 396.897 4.523 20 0 GJADRO Fc1ccc2c(Cl)ncnc2c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624353 719112625 /nfs/dbraw/zinc/11/26/25/719112625.db2.gz FLFMWQQZJFRHCC-QFBILLFUSA-N 1 0 396.897 4.523 20 0 GJADRO Fc1ccc2c(Cl)ncnc2c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624351 719113082 /nfs/dbraw/zinc/11/30/82/719113082.db2.gz FLFMWQQZJFRHCC-LPHOPBHVSA-N 1 0 396.897 4.523 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)nc(C)c2C)CC3)cs1 ZINC001164691990 719809582 /nfs/dbraw/zinc/80/95/82/719809582.db2.gz DQQYCOUONASHPR-UHFFFAOYSA-N 1 0 390.984 4.752 20 0 GJADRO CSc1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(C)c1 ZINC001164691590 719812446 /nfs/dbraw/zinc/81/24/46/719812446.db2.gz ICXBNNNWEYLJQA-UHFFFAOYSA-N 1 0 388.606 4.512 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(Cl)cccc3n1)[C@@H]2C ZINC001164863430 720957604 /nfs/dbraw/zinc/95/76/04/720957604.db2.gz ZYASZMYUUVOEKO-OAHLLOKOSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc5ccccc5n4)CC3)CC2)cc1 ZINC001164760249 721041104 /nfs/dbraw/zinc/04/11/04/721041104.db2.gz BYLSAUSOSTVKRE-UHFFFAOYSA-N 1 0 386.543 4.821 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5sccc54)CC3)CC2)cc1 ZINC001164760816 721041273 /nfs/dbraw/zinc/04/12/73/721041273.db2.gz DPSDPPRRPBBJBG-UHFFFAOYSA-N 1 0 392.572 4.882 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165026565 721800361 /nfs/dbraw/zinc/80/03/61/721800361.db2.gz REVAQMQAOUEDEE-FHLIZLRMSA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)ccn3)C[C@@H]21 ZINC001165022233 721806448 /nfs/dbraw/zinc/80/64/48/721806448.db2.gz IIWHHWUDNKNQIR-PZUNEJSGSA-N 1 0 398.554 4.881 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165028221 721831650 /nfs/dbraw/zinc/83/16/50/721831650.db2.gz UWIFGYUECXHGNX-JRGCBEDISA-N 1 0 398.982 4.598 20 0 GJADRO FC(F)(N1CCCC[C@@H]1CC[NH+]1CCCC1)C1(c2ccnc(Cl)c2)CC1 ZINC001165049151 721978876 /nfs/dbraw/zinc/97/88/76/721978876.db2.gz HGOMJFUNELMCAE-QGZVFWFLSA-N 1 0 383.914 4.700 20 0 GJADRO Clc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2ccccc2n1 ZINC001164955580 722012035 /nfs/dbraw/zinc/01/20/35/722012035.db2.gz WWJGHBYDJUAYMB-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN([C@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995639 722199583 /nfs/dbraw/zinc/19/95/83/722199583.db2.gz WIFPWHSWPWGZAC-VQTJNVASSA-N 1 0 377.866 4.583 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4cccc(F)c4n2)C3)c1 ZINC001164995974 722205978 /nfs/dbraw/zinc/20/59/78/722205978.db2.gz QVXMAFSXXRYMLQ-QHCPKHFHSA-N 1 0 379.454 4.758 20 0 GJADRO CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@@H]21 ZINC001165006554 722245731 /nfs/dbraw/zinc/24/57/31/722245731.db2.gz ZPAZSQPMJLCIFG-VWNXMTODSA-N 1 0 390.575 4.514 20 0 GJADRO CCCOc1c(Br)cc(C[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000020932906 570288264 /nfs/dbraw/zinc/28/82/64/570288264.db2.gz JJKGOAMTECYJID-UHFFFAOYSA-N 1 0 382.273 4.675 20 0 GJADRO CCCOc1c(Br)cc(Br)cc1C[NH2+]CC(C)C ZINC000020929717 570288406 /nfs/dbraw/zinc/28/84/06/570288406.db2.gz BJXDYLALIHDMCO-UHFFFAOYSA-N 1 0 379.136 4.746 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001164411986 718877684 /nfs/dbraw/zinc/87/76/84/718877684.db2.gz SMDBSRNRSYMGNN-JKSUJKDBSA-N 1 0 384.257 4.541 20 0 GJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424574 718946496 /nfs/dbraw/zinc/94/64/96/718946496.db2.gz PHQVMOKBHUPYEP-RTBURBONSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCC(C2C[NH2+]C2)CC1 ZINC001164615849 719036606 /nfs/dbraw/zinc/03/66/06/719036606.db2.gz QOYFITFGHFMCJT-UHFFFAOYSA-N 1 0 386.273 4.522 20 0 GJADRO Cc1cccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)cnc2Cl)c1 ZINC001164615842 719037964 /nfs/dbraw/zinc/03/79/64/719037964.db2.gz PZQCFYPMZFDWRK-UHFFFAOYSA-N 1 0 391.893 4.691 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4ccccc42)CC3)cs1 ZINC001164694333 719804427 /nfs/dbraw/zinc/80/44/27/719804427.db2.gz XDXRNVLIDNGQOG-UHFFFAOYSA-N 1 0 378.545 4.635 20 0 GJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3ccsc3cn1)CC2 ZINC001164841232 720699429 /nfs/dbraw/zinc/69/94/29/720699429.db2.gz INWMZZRFOQAOMK-FQEVSTJZSA-N 1 0 393.556 4.556 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3cccc(Cl)c3n1)[C@H]2C ZINC001164859356 720951224 /nfs/dbraw/zinc/95/12/24/720951224.db2.gz MZYVGOCHNFCWOX-HNNXBMFYSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc5cnccc54)CC3)CC2)cc1 ZINC001164760631 721044673 /nfs/dbraw/zinc/04/46/73/721044673.db2.gz YTWKBNDTTRXWEP-UHFFFAOYSA-N 1 0 386.543 4.821 20 0 GJADRO Cc1sc2ncnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1-c1ccccc1 ZINC001164767900 721298394 /nfs/dbraw/zinc/29/83/94/721298394.db2.gz BFMWKPGKEWTRHQ-UHFFFAOYSA-N 1 0 390.556 4.589 20 0 GJADRO Cc1cccc2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc12 ZINC001164793400 721488975 /nfs/dbraw/zinc/48/89/75/721488975.db2.gz RPEVJBCGIPMHNN-UHFFFAOYSA-N 1 0 386.543 4.819 20 0 GJADRO CC(C)(c1ccnc(Cl)c1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165016407 721767932 /nfs/dbraw/zinc/76/79/32/721767932.db2.gz WQIWLOPCVWARFJ-UHFFFAOYSA-N 1 0 392.890 4.977 20 0 GJADRO Cc1cccc2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165020411 721799447 /nfs/dbraw/zinc/79/94/47/721799447.db2.gz FPRODLLEPHFFBL-WWNPGLIZSA-N 1 0 386.543 4.675 20 0 GJADRO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026248 721806014 /nfs/dbraw/zinc/80/60/14/721806014.db2.gz QEOUSGIDGPJZRT-SSPYTLHUSA-N 1 0 386.543 4.675 20 0 GJADRO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026233 721806161 /nfs/dbraw/zinc/80/61/61/721806161.db2.gz QEOUSGIDGPJZRT-FJIJXJHWSA-N 1 0 386.543 4.675 20 0 GJADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccc12 ZINC001165025177 721810639 /nfs/dbraw/zinc/81/06/39/721810639.db2.gz LPYLWBPTFVDJCA-NGYIFUPDSA-N 1 0 386.543 4.675 20 0 GJADRO C[NH+](C)CC1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001165041680 721945141 /nfs/dbraw/zinc/94/51/41/721945141.db2.gz HWNXRNNJJSQYDW-UHFFFAOYSA-N 1 0 380.923 4.728 20 0 GJADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046283 721967431 /nfs/dbraw/zinc/96/74/31/721967431.db2.gz CLKLLKPVJFVFCF-MRXNPFEDSA-N 1 0 394.897 4.673 20 0 GJADRO Clc1cc2c(Cl)ccnc2c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165048321 721969898 /nfs/dbraw/zinc/96/98/98/721969898.db2.gz NVIUBLXHAAMCCS-CQSZACIVSA-N 1 0 379.335 4.781 20 0 GJADRO c1ccc2sc(C3CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)nc2c1 ZINC001165050669 721989249 /nfs/dbraw/zinc/98/92/49/721989249.db2.gz IDGBGUJDCGQFCZ-UHFFFAOYSA-N 1 0 378.545 4.671 20 0 GJADRO c1ccc2sc(C3CCN(c4ncccc4C[NH+]4CCCC4)CC3)nc2c1 ZINC001165050286 721989302 /nfs/dbraw/zinc/98/93/02/721989302.db2.gz ACLNFCXTZGSWPN-UHFFFAOYSA-N 1 0 378.545 4.671 20 0 GJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)nc1 ZINC001165050850 721993516 /nfs/dbraw/zinc/99/35/16/721993516.db2.gz BQOLCSXALSTXRR-UXHICEINSA-N 1 0 387.568 4.577 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nnc(Cl)c4ccccc42)C3)c1 ZINC001164994676 722194572 /nfs/dbraw/zinc/19/45/72/722194572.db2.gz OZAFTJHYVYHSFR-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cnc4cccc(Cl)c4n2)C3)c1 ZINC001164994288 722195666 /nfs/dbraw/zinc/19/56/66/722195666.db2.gz MOUWANBRSGAZBE-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(Cl)nc4ncccc24)C3)c1 ZINC001164994228 722198611 /nfs/dbraw/zinc/19/86/11/722198611.db2.gz LWGOBOFMZTUQHN-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO CCc1cc2c(ncnc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)s1 ZINC001164993674 722199195 /nfs/dbraw/zinc/19/91/95/722199195.db2.gz HFWTYMQAHFBSLS-QFIPXVFZSA-N 1 0 396.535 4.638 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncc4c(Cl)cccc4n2)C3)c1 ZINC001164997283 722201724 /nfs/dbraw/zinc/20/17/24/722201724.db2.gz YLEBQBUSQYRQDV-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(-c4ccccc4)ncn2)C3)c1 ZINC001164997208 722207045 /nfs/dbraw/zinc/20/70/45/722207045.db2.gz XBXOICJJIHKPIV-XMMPIXPASA-N 1 0 388.490 4.528 20 0 GJADRO CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]21 ZINC001165006036 722245865 /nfs/dbraw/zinc/24/58/65/722245865.db2.gz WVHNZUHODUZXKF-UPVQGACJSA-N 1 0 390.575 4.516 20 0 GJADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000016002823 210181609 /nfs/dbraw/zinc/18/16/09/210181609.db2.gz VNXYBEFDGKOHBN-UHFFFAOYSA-N 1 0 398.721 4.651 20 0 GJADRO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OCC ZINC000020931959 204747727 /nfs/dbraw/zinc/74/77/27/204747727.db2.gz WUQUEZACLWCVCN-UHFFFAOYSA-N 1 0 377.868 4.546 20 0 GJADRO Clc1ccc(COc2ccc(C[NH2+]CCCn3ccnc3)cc2)cc1Cl ZINC000040719406 205068025 /nfs/dbraw/zinc/06/80/25/205068025.db2.gz JXDIHSBRDWBHNG-UHFFFAOYSA-N 1 0 390.314 4.949 20 0 GJADRO CCCOc1c(Br)cc(C[NH2+]Cc2ccccc2)cc1OCC ZINC000020932238 210370741 /nfs/dbraw/zinc/37/07/41/210370741.db2.gz MMDRFPZFTXFODI-UHFFFAOYSA-N 1 0 378.310 4.926 20 0 GJADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164424566 718946719 /nfs/dbraw/zinc/94/67/19/718946719.db2.gz PHQVMOKBHUPYEP-OALUTQOASA-N 1 0 385.845 4.509 20 0 GJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731064 720365860 /nfs/dbraw/zinc/36/58/60/720365860.db2.gz YTINYZWCOSIUJQ-OALUTQOASA-N 1 0 399.325 4.790 20 0 GJADRO Clc1cc(-c2ccccc2)cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725838 720380279 /nfs/dbraw/zinc/38/02/79/720380279.db2.gz NTQPYZBWZIHMBM-LEWJYISDSA-N 1 0 390.918 4.650 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccsc31)[C@H]2C ZINC001164858597 720948140 /nfs/dbraw/zinc/94/81/40/720948140.db2.gz JKXPYNXMMDLJBN-ZDUSSCGKSA-N 1 0 389.956 4.568 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccsc31)[C@@H]2C ZINC001164858595 720949603 /nfs/dbraw/zinc/94/96/03/720949603.db2.gz JKXPYNXMMDLJBN-CYBMUJFWSA-N 1 0 389.956 4.568 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccc(Cl)cc3n1)[C@H]2C ZINC001164858045 720976623 /nfs/dbraw/zinc/97/66/23/720976623.db2.gz GOXTXJBXOVJWOJ-HNNXBMFYSA-N 1 0 383.927 4.506 20 0 GJADRO Clc1nc(Cl)c(N2CC3(C2)CC[N@H+](CC2CC2)C3)c(Cl)c1Cl ZINC001164774056 721284774 /nfs/dbraw/zinc/28/47/74/721284774.db2.gz WFLQMDVWRRBNKV-UHFFFAOYSA-N 1 0 381.134 4.617 20 0 GJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001164778714 721315907 /nfs/dbraw/zinc/31/59/07/721315907.db2.gz QPPJECRKEFVSOZ-UHFFFAOYSA-N 1 0 396.897 4.667 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164791142 721489998 /nfs/dbraw/zinc/48/99/98/721489998.db2.gz BHHPVICMNZHDSK-UHFFFAOYSA-N 1 0 391.346 4.664 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ccc1Cl)CC2 ZINC001164792259 721493458 /nfs/dbraw/zinc/49/34/58/721493458.db2.gz LVMUCCKGXJPSFB-UHFFFAOYSA-N 1 0 391.346 4.664 20 0 GJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)nc1 ZINC001164900239 721499519 /nfs/dbraw/zinc/49/95/19/721499519.db2.gz NRNLAUMDAFGFDV-GPJHCHHRSA-N 1 0 383.580 4.660 20 0 GJADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc12 ZINC001165025175 721810865 /nfs/dbraw/zinc/81/08/65/721810865.db2.gz LPYLWBPTFVDJCA-BPUDTRNYSA-N 1 0 386.543 4.675 20 0 GJADRO Cc1ccc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165025526 721811590 /nfs/dbraw/zinc/81/15/90/721811590.db2.gz NGOFYFRPDZIIGM-OYDLWJJNSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc(F)cc4n3)C[C@H]21 ZINC001165022180 721824797 /nfs/dbraw/zinc/82/47/97/721824797.db2.gz GNQPQPCJAKGELB-JMUQELJHSA-N 1 0 390.506 4.506 20 0 GJADRO COc1ccc2c(c1)nc(N1CCC(C[NH+](C)C)CC1)cc2-c1ccccc1 ZINC001165045272 721949086 /nfs/dbraw/zinc/94/90/86/721949086.db2.gz PJAJKFXVAJXYPC-UHFFFAOYSA-N 1 0 375.516 4.688 20 0 GJADRO C[NH+](C)CC1CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)CC1 ZINC001165042955 721950159 /nfs/dbraw/zinc/95/01/59/721950159.db2.gz UHZMXCQWXMADTR-UHFFFAOYSA-N 1 0 397.872 4.864 20 0 GJADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049842 721972810 /nfs/dbraw/zinc/97/28/10/721972810.db2.gz SEJJYPHJWPHRSU-OAHLLOKOSA-N 1 0 394.897 4.673 20 0 GJADRO c1ccc(-c2nc3ccccc3c(N3CCCC[C@H]3CC[NH+]3CCCC3)n2)nc1 ZINC001165050437 721975471 /nfs/dbraw/zinc/97/54/71/721975471.db2.gz XTSOYQQTQHPTDJ-IBGZPJMESA-N 1 0 387.531 4.537 20 0 GJADRO FC(F)(N1CCCC[C@H]1CC[NH+]1CCCC1)C1(c2ccc(Cl)nc2)CC1 ZINC001165051125 721979100 /nfs/dbraw/zinc/97/91/00/721979100.db2.gz YLYLNHYZRFUEEQ-KRWDZBQOSA-N 1 0 383.914 4.700 20 0 GJADRO CC[NH+](CC)C1CCN(c2nc(-c3cccc(OC)c3)nc3ccccc32)CC1 ZINC001165054044 722006822 /nfs/dbraw/zinc/00/68/22/722006822.db2.gz GYBOXGZHNUUISO-UHFFFAOYSA-N 1 0 390.531 4.616 20 0 GJADRO Clc1cccc2c1ccnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952101 722016940 /nfs/dbraw/zinc/01/69/40/722016940.db2.gz HHIHGZYOPOVXDN-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO COc1ccc2c(ccnc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993260 722195765 /nfs/dbraw/zinc/19/57/65/722195765.db2.gz DQADGXBZJZCSFC-XMMPIXPASA-N 1 0 391.490 4.627 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc4[nH]ccc4cc2Cl)C3)c1 ZINC001164996323 722203083 /nfs/dbraw/zinc/20/30/83/722203083.db2.gz TXUUTHRYHPLZLJ-NRFANRHFSA-N 1 0 384.886 4.552 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(-c4cccs4)nn2)C3)c1 ZINC001164997333 722203437 /nfs/dbraw/zinc/20/34/37/722203437.db2.gz ZPIXHSDTFWCPNY-JOCHJYFZSA-N 1 0 394.519 4.589 20 0 GJADRO CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccccc1 ZINC000010435921 204335180 /nfs/dbraw/zinc/33/51/80/204335180.db2.gz DYNWAIKMMQIABS-UHFFFAOYSA-N 1 0 378.310 4.925 20 0 GJADRO CCCC[NH2+]Cc1cc(Br)cc(Br)c1OCCC ZINC000020929624 210371592 /nfs/dbraw/zinc/37/15/92/210371592.db2.gz CHGZLCBLJOBVLK-UHFFFAOYSA-N 1 0 379.136 4.890 20 0 GJADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)CC2 ZINC001164386677 718802126 /nfs/dbraw/zinc/80/21/26/718802126.db2.gz DAYQVSVNGDGPAV-UHFFFAOYSA-N 1 0 395.856 4.794 20 0 GJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164386657 718803279 /nfs/dbraw/zinc/80/32/79/718803279.db2.gz CEDKMDAXSRTQLI-UHFFFAOYSA-N 1 0 384.685 4.699 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164421009 718893850 /nfs/dbraw/zinc/89/38/50/718893850.db2.gz OWTWFKYJMGNGLF-QGZVFWFLSA-N 1 0 395.881 4.898 20 0 GJADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621743 719044469 /nfs/dbraw/zinc/04/44/69/719044469.db2.gz JRPBHDIURTZFJP-CRAIPNDOSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624614 719045575 /nfs/dbraw/zinc/04/55/75/719045575.db2.gz OKAQHHACORFXDV-RDTXWAMCSA-N 1 0 398.284 4.517 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4cc(F)ccc4n2)CC3)cs1 ZINC001164694392 719807879 /nfs/dbraw/zinc/80/78/79/719807879.db2.gz WVQQPEOZGQDWAO-UHFFFAOYSA-N 1 0 396.535 4.774 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(F)c4ccccc42)CC3)cs1 ZINC001164692787 719809096 /nfs/dbraw/zinc/80/90/96/719809096.db2.gz MNPJNQNFUXOFOJ-UHFFFAOYSA-N 1 0 396.535 4.774 20 0 GJADRO Clc1ccc(-c2ccccc2)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729006 720380990 /nfs/dbraw/zinc/38/09/90/720380990.db2.gz UQUOOMFTOUVIRQ-LEWJYISDSA-N 1 0 390.918 4.650 20 0 GJADRO Cc1ccc2cc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164864129 720979401 /nfs/dbraw/zinc/97/94/01/720979401.db2.gz XQUKOPXWKKDUKX-INIZCTEOSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1ccc2c(c1)cc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858007 720983227 /nfs/dbraw/zinc/98/32/27/720983227.db2.gz GDTMRCFRKFYBOY-MRXNPFEDSA-N 1 0 397.954 4.815 20 0 GJADRO CC(C)c1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(C(C)(C)C)n1 ZINC001164856747 721009671 /nfs/dbraw/zinc/00/96/71/721009671.db2.gz BRNVGROMYCXLAY-KRWDZBQOSA-N 1 0 398.599 4.515 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(C5CC5)ncn4)CC3)CC2)cc1 ZINC001164759175 721046126 /nfs/dbraw/zinc/04/61/26/721046126.db2.gz IXSPONWRTNTSJC-UHFFFAOYSA-N 1 0 376.548 4.545 20 0 GJADRO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026225 721806107 /nfs/dbraw/zinc/80/61/07/721806107.db2.gz QEOUSGIDGPJZRT-BGWNEDDSSA-N 1 0 386.543 4.675 20 0 GJADRO Cc1cccc2c1ccnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025983 721813135 /nfs/dbraw/zinc/81/31/35/721813135.db2.gz OSMHINOFNSAGGR-WUMKDDEVSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc(F)c4n3)C[C@H]21 ZINC001165029024 721820140 /nfs/dbraw/zinc/82/01/40/721820140.db2.gz YQOMFOLMWXTOCD-CZTZKLFOSA-N 1 0 390.506 4.506 20 0 GJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)c(Cl)cc4C)CC3)C2)cc1 ZINC001164939604 721927991 /nfs/dbraw/zinc/92/79/91/721927991.db2.gz MZCXZNNGETWXRA-UHFFFAOYSA-N 1 0 399.966 4.532 20 0 GJADRO Clc1cc2c(Cl)ccnc2c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165048319 721969903 /nfs/dbraw/zinc/96/99/03/721969903.db2.gz NVIUBLXHAAMCCS-AWEZNQCLSA-N 1 0 379.335 4.781 20 0 GJADRO CC[NH+](CC)C1CCN(c2nc(-c3cccnc3)nc3sc(C)c(C)c32)CC1 ZINC001165054003 722005566 /nfs/dbraw/zinc/00/55/66/722005566.db2.gz WSTGYORAZADHQG-UHFFFAOYSA-N 1 0 395.576 4.681 20 0 GJADRO CC[NH+](CC)C1CCN(c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC001165052851 722005686 /nfs/dbraw/zinc/00/56/86/722005686.db2.gz DKOPQNXSTOPBCL-UHFFFAOYSA-N 1 0 378.495 4.747 20 0 GJADRO Cc1cccc2c(C)cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164954338 722013529 /nfs/dbraw/zinc/01/35/29/722013529.db2.gz LGPWBDUPZKBVJF-UHFFFAOYSA-N 1 0 386.543 4.739 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cnc4c(Cl)cccc4n2)C3)c1 ZINC001164995657 722197118 /nfs/dbraw/zinc/19/71/18/722197118.db2.gz WQEPGJTUNSPXGC-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cnc4cc(Cl)ccc4n2)C3)c1 ZINC001164995323 722197410 /nfs/dbraw/zinc/19/74/10/722197410.db2.gz UKKPFQLOKRUCQY-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncc4ccc(Cl)cc4n2)C3)c1 ZINC001164995392 722202698 /nfs/dbraw/zinc/20/26/98/722202698.db2.gz NGOJQOHDTVYRFL-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(-c4cccs4)nn2)C3)c1 ZINC001164997334 722203407 /nfs/dbraw/zinc/20/34/07/722203407.db2.gz ZPIXHSDTFWCPNY-QFIPXVFZSA-N 1 0 394.519 4.589 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cnc(-c4ccccc4)cn2)C3)c1 ZINC001164995173 722207732 /nfs/dbraw/zinc/20/77/32/722207732.db2.gz LJWHMASNOYMHKY-DEOSSOPVSA-N 1 0 388.490 4.528 20 0 GJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424043 718943429 /nfs/dbraw/zinc/94/34/29/718943429.db2.gz NILVPHBQQGYJSM-SJLPKXTDSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001164449155 719003219 /nfs/dbraw/zinc/00/32/19/719003219.db2.gz LWIPUCZLQZJZKO-HZPDHXFCSA-N 1 0 384.257 4.541 20 0 GJADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621746 719044604 /nfs/dbraw/zinc/04/46/04/719044604.db2.gz JRPBHDIURTZFJP-MAUKXSAKSA-N 1 0 398.284 4.517 20 0 GJADRO Fc1ccc2c(Cl)nnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164626846 719105887 /nfs/dbraw/zinc/10/58/87/719105887.db2.gz JFEGJMTXIFGMJC-JXFKEZNVSA-N 1 0 396.897 4.523 20 0 GJADRO Clc1ccc(Cl)c2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ccc12 ZINC001164723669 720474315 /nfs/dbraw/zinc/47/43/15/720474315.db2.gz DBRZKVBMBORQDD-OALUTQOASA-N 1 0 399.325 4.790 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N)cc(Cl)n4)CC3)CC2)cc1 ZINC001164759191 721043119 /nfs/dbraw/zinc/04/31/19/721043119.db2.gz KJKLSTJEIUUTMF-UHFFFAOYSA-N 1 0 384.955 4.508 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(C)cnc4Cl)CC3)CC2)cc1 ZINC001164760656 721044491 /nfs/dbraw/zinc/04/44/91/721044491.db2.gz ZXNXMGMQNLNWEO-UHFFFAOYSA-N 1 0 384.955 4.629 20 0 GJADRO Cc1cccc2c1ccnc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792905 721496034 /nfs/dbraw/zinc/49/60/34/721496034.db2.gz VFDDZLZIPPTYAI-UHFFFAOYSA-N 1 0 386.543 4.819 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165026567 721800283 /nfs/dbraw/zinc/80/02/83/721800283.db2.gz REVAQMQAOUEDEE-JCGIZDLHSA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)c4ccccc43)C[C@H]21 ZINC001165027115 721813530 /nfs/dbraw/zinc/81/35/30/721813530.db2.gz SHKZCJYJOYDKMH-ODOSVJCGSA-N 1 0 390.506 4.506 20 0 GJADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001165041351 721933438 /nfs/dbraw/zinc/93/34/38/721933438.db2.gz RGDFMJMHIYQPMR-UHFFFAOYSA-N 1 0 388.289 4.865 20 0 GJADRO C[NH+](C)CC1CCN(c2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)CC1 ZINC001165041918 721950606 /nfs/dbraw/zinc/95/06/06/721950606.db2.gz BPXJIFCEZQSLOH-UHFFFAOYSA-N 1 0 388.515 4.714 20 0 GJADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165045773 721965942 /nfs/dbraw/zinc/96/59/42/721965942.db2.gz AKSZHNXHPRRWKP-HNNXBMFYSA-N 1 0 394.897 4.673 20 0 GJADRO c1ccc(-c2nc3ccccc3c(N3CCCC[C@@H]3CC[NH+]3CCCC3)n2)nc1 ZINC001165050438 721975357 /nfs/dbraw/zinc/97/53/57/721975357.db2.gz XTSOYQQTQHPTDJ-LJQANCHMSA-N 1 0 387.531 4.537 20 0 GJADRO Fc1ccc2nc(C(F)F)nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1 ZINC001165051153 721978009 /nfs/dbraw/zinc/97/80/09/721978009.db2.gz ZIUYAGGBZCPNDK-OAHLLOKOSA-N 1 0 378.442 4.551 20 0 GJADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)nc1 ZINC001165050847 721993574 /nfs/dbraw/zinc/99/35/74/721993574.db2.gz BQOLCSXALSTXRR-PMACEKPBSA-N 1 0 387.568 4.577 20 0 GJADRO Cn1nc(-c2ccccc2)c2c1C[C@H]1C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001164952296 722005989 /nfs/dbraw/zinc/00/59/89/722005989.db2.gz MHTPZHBNGRDYNH-FUHWJXTLSA-N 1 0 392.934 4.642 20 0 GJADRO CC[NH+](CC)C1CCN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC1 ZINC001165053702 722006604 /nfs/dbraw/zinc/00/66/04/722006604.db2.gz DAKUIFULRRYPQA-UHFFFAOYSA-N 1 0 390.984 4.658 20 0 GJADRO CC[NH+](CC)C1CCN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001165054581 722006759 /nfs/dbraw/zinc/00/67/59/722006759.db2.gz RZANRQXGDYILLE-UHFFFAOYSA-N 1 0 394.897 4.653 20 0 GJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164979717 722166101 /nfs/dbraw/zinc/16/61/01/722166101.db2.gz VTQAHXXMRLUPNE-UGKGYDQZSA-N 1 0 392.971 4.800 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nccc4cc(Cl)ncc42)C3)c1 ZINC001164992842 722197065 /nfs/dbraw/zinc/19/70/65/722197065.db2.gz BDUVLVVTPNZBFQ-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO CSc1cc(Cl)ncc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994652 722197766 /nfs/dbraw/zinc/19/77/66/722197766.db2.gz OUEBSDKWUQIEKU-HXUWFJFHSA-N 1 0 391.943 4.841 20 0 GJADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000029164569 207358604 /nfs/dbraw/zinc/35/86/04/207358604.db2.gz LRAMTDNWLOLGBQ-UHFFFAOYSA-N 1 0 380.879 4.578 20 0 GJADRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1c(F)cccc1Cl ZINC000040737350 570610239 /nfs/dbraw/zinc/61/02/39/570610239.db2.gz MHVAHQADFRMSIO-MRXNPFEDSA-N 1 0 393.886 4.725 20 0 GJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164416705 718892755 /nfs/dbraw/zinc/89/27/55/718892755.db2.gz FSOFPPVIFVKVJZ-CYBMUJFWSA-N 1 0 398.712 4.945 20 0 GJADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164421307 718892891 /nfs/dbraw/zinc/89/28/91/718892891.db2.gz XBPLXHKXEYMLEQ-ZDUSSCGKSA-N 1 0 397.819 4.657 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN([C@@H](F)c2ccnc(Cl)c2)CC3)cs1 ZINC001164693739 719808402 /nfs/dbraw/zinc/80/84/02/719808402.db2.gz QYCCNHSXURDDGP-GOSISDBHSA-N 1 0 394.947 4.599 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN([C@H](F)c2ccnc(Cl)c2)CC3)cs1 ZINC001164693741 719808511 /nfs/dbraw/zinc/80/85/11/719808511.db2.gz QYCCNHSXURDDGP-SFHVURJKSA-N 1 0 394.947 4.599 20 0 GJADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3ccsc3cn1)CC2 ZINC001164841235 720699294 /nfs/dbraw/zinc/69/92/94/720699294.db2.gz INWMZZRFOQAOMK-HXUWFJFHSA-N 1 0 393.556 4.556 20 0 GJADRO Cc1ccc2nc(Cl)cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164856985 720945359 /nfs/dbraw/zinc/94/53/59/720945359.db2.gz DPMYWDJGIYQXNN-MRXNPFEDSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(N)cc4Cl)CC3)CC2)cc1 ZINC001164759154 721043779 /nfs/dbraw/zinc/04/37/79/721043779.db2.gz HSRZHQRQWBYHMR-UHFFFAOYSA-N 1 0 384.955 4.508 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cnc(Cl)cc4N)CC3)CC2)cc1 ZINC001164759158 721045327 /nfs/dbraw/zinc/04/53/27/721045327.db2.gz IBWAFLVNDNRPSC-UHFFFAOYSA-N 1 0 384.955 4.508 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)c4ccccc43)C[C@@H]21 ZINC001165027114 721813628 /nfs/dbraw/zinc/81/36/28/721813628.db2.gz SHKZCJYJOYDKMH-JWNTYJGQSA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(F)cc43)C[C@@H]21 ZINC001165025987 721813732 /nfs/dbraw/zinc/81/37/32/721813732.db2.gz OTLDAIJJANWMGF-YFXJRYMSSA-N 1 0 390.506 4.506 20 0 GJADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C1 ZINC001165037726 721897886 /nfs/dbraw/zinc/89/78/86/721897886.db2.gz XXWJXVXGKSMVGI-MRXNPFEDSA-N 1 0 383.845 4.616 20 0 GJADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001165045149 721938322 /nfs/dbraw/zinc/93/83/22/721938322.db2.gz VYVNWXSJJKPUPC-UHFFFAOYSA-N 1 0 397.872 4.864 20 0 GJADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165050466 721976938 /nfs/dbraw/zinc/97/69/38/721976938.db2.gz YJDBCYLYZUNGRK-QGZVFWFLSA-N 1 0 388.918 4.781 20 0 GJADRO FC(F)(N1CCCC[C@@H]1CC[NH+]1CCCC1)C1(c2ccc(Cl)nc2)CC1 ZINC001165051126 721979011 /nfs/dbraw/zinc/97/90/11/721979011.db2.gz YLYLNHYZRFUEEQ-QGZVFWFLSA-N 1 0 383.914 4.700 20 0 GJADRO COc1ccc2c(ccnc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993259 722195635 /nfs/dbraw/zinc/19/56/35/722195635.db2.gz DQADGXBZJZCSFC-DEOSSOPVSA-N 1 0 391.490 4.627 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN([C@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995637 722199546 /nfs/dbraw/zinc/19/95/46/722199546.db2.gz WIFPWHSWPWGZAC-PMACEKPBSA-N 1 0 377.866 4.583 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc4ccc(F)cc4cn2)C3)c1 ZINC001164997266 722209068 /nfs/dbraw/zinc/20/90/68/722209068.db2.gz XWWLNXKOILKZJW-QHCPKHFHSA-N 1 0 379.454 4.758 20 0 GJADRO OC1(c2ccc(Br)cc2)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000033598827 207461571 /nfs/dbraw/zinc/46/15/71/207461571.db2.gz GRGMUZDLZOQJFY-UHFFFAOYSA-N 1 0 386.289 4.679 20 0 GJADRO CCOc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1c(Cl)cccc1Cl ZINC000040736866 570610222 /nfs/dbraw/zinc/61/02/22/570610222.db2.gz IHNORKJAVXMFEM-UHFFFAOYSA-N 1 0 398.330 4.832 20 0 GJADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621759 719043778 /nfs/dbraw/zinc/04/37/78/719043778.db2.gz JSPCHGJDQSZLTN-KDOFPFPSSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164625520 719043892 /nfs/dbraw/zinc/04/38/92/719043892.db2.gz PXHUAOMXLNTWBN-YJBOKZPZSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164623259 719044080 /nfs/dbraw/zinc/04/40/80/719044080.db2.gz MPENWVGTCNJFIG-AEFFLSMTSA-N 1 0 398.284 4.517 20 0 GJADRO Fc1ccc2c(Cl)nnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164626851 719105706 /nfs/dbraw/zinc/10/57/06/719105706.db2.gz JFEGJMTXIFGMJC-OXQOHEQNSA-N 1 0 396.897 4.523 20 0 GJADRO CCSc1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164702204 719815788 /nfs/dbraw/zinc/81/57/88/719815788.db2.gz RKRWRVDWESRIRZ-UHFFFAOYSA-N 1 0 388.606 4.594 20 0 GJADRO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2n1 ZINC001164724786 720473236 /nfs/dbraw/zinc/47/32/36/720473236.db2.gz HIHWZBCLCZVHNZ-MSOLQXFVSA-N 1 0 399.325 4.790 20 0 GJADRO Cc1ccc(F)c2cc(C)c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nc12 ZINC001164863495 720977397 /nfs/dbraw/zinc/97/73/97/720977397.db2.gz VUXCFFBONVMLMK-QGZVFWFLSA-N 1 0 395.526 4.609 20 0 GJADRO CCCc1ccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nn1 ZINC001164758887 721045846 /nfs/dbraw/zinc/04/58/46/721045846.db2.gz CSVIHXPDMKJNOB-UHFFFAOYSA-N 1 0 378.564 4.620 20 0 GJADRO Cc1ccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165025525 721811621 /nfs/dbraw/zinc/81/16/21/721811621.db2.gz NGOFYFRPDZIIGM-NKKJXINNSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(F)cc43)C[C@H]21 ZINC001165025984 721813639 /nfs/dbraw/zinc/81/36/39/721813639.db2.gz OTLDAIJJANWMGF-CDNPAEQRSA-N 1 0 390.506 4.506 20 0 GJADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)nc(C)c4C)CC3)C2)cc1 ZINC001164939392 721927435 /nfs/dbraw/zinc/92/74/35/721927435.db2.gz LIFHXOBZTXBTBH-UHFFFAOYSA-N 1 0 399.966 4.532 20 0 GJADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CCC(C[NH+](C)C)CC3)c2c1 ZINC001165041598 721946576 /nfs/dbraw/zinc/94/65/76/721946576.db2.gz GAFVTKOTKSSWDE-UHFFFAOYSA-N 1 0 378.495 4.522 20 0 GJADRO C[NH+](C)CC1CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CC1 ZINC001165042990 721950152 /nfs/dbraw/zinc/95/01/52/721950152.db2.gz WNWBDLDPLGMJFF-UHFFFAOYSA-N 1 0 397.872 4.864 20 0 GJADRO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046572 721974297 /nfs/dbraw/zinc/97/42/97/721974297.db2.gz AGYAKFNKVATBEU-HNNXBMFYSA-N 1 0 382.886 4.606 20 0 GJADRO CC[NH+](CC)C1CCN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC001165053145 722002588 /nfs/dbraw/zinc/00/25/88/722002588.db2.gz ISPWOUGCMDAQIN-UHFFFAOYSA-N 1 0 387.531 4.516 20 0 GJADRO CC[NH+](CC)C1CCN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001165053366 722006007 /nfs/dbraw/zinc/00/60/07/722006007.db2.gz PADIYENWALVYFA-UHFFFAOYSA-N 1 0 394.897 4.653 20 0 GJADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001165053635 722007380 /nfs/dbraw/zinc/00/73/80/722007380.db2.gz BJCRSUQLGJSJON-UHFFFAOYSA-N 1 0 395.334 4.886 20 0 GJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164979716 722166270 /nfs/dbraw/zinc/16/62/70/722166270.db2.gz VTQAHXXMRLUPNE-SIKLNZKXSA-N 1 0 392.971 4.800 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nccc4c(Cl)ccnc42)C3)c1 ZINC001164995243 722194233 /nfs/dbraw/zinc/19/42/33/722194233.db2.gz SVDPOZIFDBSENO-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO CCc1cc2c(ncnc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)s1 ZINC001164993673 722199230 /nfs/dbraw/zinc/19/92/30/722199230.db2.gz HFWTYMQAHFBSLS-JOCHJYFZSA-N 1 0 396.535 4.638 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc4c(Cl)ccnc4cn2)C3)c1 ZINC001164997232 722203870 /nfs/dbraw/zinc/20/38/70/722203870.db2.gz XJOIIXRBKMCOJM-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc4ccc(F)cc4cn2)C3)c1 ZINC001164997265 722208912 /nfs/dbraw/zinc/20/89/12/722208912.db2.gz XWWLNXKOILKZJW-HSZRJFAPSA-N 1 0 379.454 4.758 20 0 GJADRO CC(C)c1c(Cl)ncnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998777 722212421 /nfs/dbraw/zinc/21/24/21/722212421.db2.gz XRHWCPHCITUDBT-NRFANRHFSA-N 1 0 388.918 4.637 20 0 GJADRO CC(C)(c1ccnc(Cl)c1)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994849 722213703 /nfs/dbraw/zinc/21/37/03/722213703.db2.gz DTPZIZXPDUSYLU-QFIPXVFZSA-N 1 0 387.930 4.850 20 0 GJADRO C[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(Cl)nc1 ZINC000359979406 212128831 /nfs/dbraw/zinc/12/88/31/212128831.db2.gz SIBWFVGUFIZKGY-MRXNPFEDSA-N 1 0 396.922 4.705 20 0 GJADRO CCc1ccc(NC(=S)Nc2ccc(C(=O)OCC[NH+](CC)CC)cc2)cc1 ZINC000013749705 570784506 /nfs/dbraw/zinc/78/45/06/570784506.db2.gz ZSMNGGXBRASJSN-UHFFFAOYSA-N 1 0 399.560 4.557 20 0 GJADRO [NH3+]C1CC2(C1)CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164387759 718802362 /nfs/dbraw/zinc/80/23/62/718802362.db2.gz ORKRFRUBMVRGCB-UHFFFAOYSA-N 1 0 393.865 4.534 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001164411984 718877547 /nfs/dbraw/zinc/87/75/47/718877547.db2.gz SMDBSRNRSYMGNN-HOTGVXAUSA-N 1 0 384.257 4.541 20 0 GJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164418031 718891976 /nfs/dbraw/zinc/89/19/76/718891976.db2.gz NEKHYAOSKJSOGD-SFHVURJKSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423105 718942017 /nfs/dbraw/zinc/94/20/17/718942017.db2.gz DKFAATMYIPIPMO-MOPGFXCFSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164618758 719043947 /nfs/dbraw/zinc/04/39/47/719043947.db2.gz BIHWGZKJXCIROL-YJBOKZPZSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164621750 719044519 /nfs/dbraw/zinc/04/45/19/719044519.db2.gz JRPBHDIURTZFJP-QAPCUYQASA-N 1 0 398.284 4.517 20 0 GJADRO Fc1ccc2c(Cl)ncnc2c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624349 719112393 /nfs/dbraw/zinc/11/23/93/719112393.db2.gz FLFMWQQZJFRHCC-APWZRJJASA-N 1 0 396.897 4.523 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)c4ccccc4n2)CC3)cs1 ZINC001164694332 719807715 /nfs/dbraw/zinc/80/77/15/719807715.db2.gz VGRHKCFGKHKAQJ-UHFFFAOYSA-N 1 0 392.572 4.943 20 0 GJADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)cn1)CC2 ZINC001164837034 720728032 /nfs/dbraw/zinc/72/80/32/720728032.db2.gz CXOXFEXJBJBGSW-QFIPXVFZSA-N 1 0 393.575 4.639 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccc(Cl)cc3n1)[C@@H]2C ZINC001164858048 720976456 /nfs/dbraw/zinc/97/64/56/720976456.db2.gz GOXTXJBXOVJWOJ-OAHLLOKOSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5ccsc54)CC3)CC2)cc1 ZINC001164760238 721041933 /nfs/dbraw/zinc/04/19/33/721041933.db2.gz BTHVXEMDZVSJHQ-UHFFFAOYSA-N 1 0 392.572 4.882 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc5scnc54)CC3)CC2)cc1 ZINC001164759905 721044522 /nfs/dbraw/zinc/04/45/22/721044522.db2.gz RNOPVTGDRNQLMJ-UHFFFAOYSA-N 1 0 392.572 4.882 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(Cl)c(N)n4)CC3)CC2)cc1 ZINC001164760636 721046511 /nfs/dbraw/zinc/04/65/11/721046511.db2.gz YXWXBEUQMUZDAP-UHFFFAOYSA-N 1 0 384.955 4.508 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccc(F)cc31)CC2 ZINC001164792969 721496001 /nfs/dbraw/zinc/49/60/01/721496001.db2.gz WOLMHJZQNTYQJL-UHFFFAOYSA-N 1 0 390.506 4.650 20 0 GJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)nc1 ZINC001164900238 721499245 /nfs/dbraw/zinc/49/92/45/721499245.db2.gz NRNLAUMDAFGFDV-AFXVXQJMSA-N 1 0 383.580 4.660 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3Cl)C[C@H]21 ZINC001165024644 721808601 /nfs/dbraw/zinc/80/86/01/721808601.db2.gz MPIJAVUZMXDHML-YXJHDRRASA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)ccnc3Cl)C[C@@H]21 ZINC001165026789 721810366 /nfs/dbraw/zinc/81/03/66/721810366.db2.gz RBGCEXGBRXHNJW-QILLFSRXSA-N 1 0 391.346 4.520 20 0 GJADRO C[NH+](C)CC1CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000613538889 721948784 /nfs/dbraw/zinc/94/87/84/721948784.db2.gz GSHMVECIICVAPB-UHFFFAOYSA-N 1 0 386.952 4.790 20 0 GJADRO c1cc2c(nc(-c3ccncc3)nc2N2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001165050134 721977655 /nfs/dbraw/zinc/97/76/55/721977655.db2.gz UXVIEZNSSWFXPI-SFHVURJKSA-N 1 0 393.560 4.598 20 0 GJADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001165054400 722007422 /nfs/dbraw/zinc/00/74/22/722007422.db2.gz LSLQILMFQAHRQE-UHFFFAOYSA-N 1 0 395.334 4.886 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4cccc(F)c4n2)C3)c1 ZINC001164995973 722206036 /nfs/dbraw/zinc/20/60/36/722206036.db2.gz QVXMAFSXXRYMLQ-HSZRJFAPSA-N 1 0 379.454 4.758 20 0 GJADRO CCOc1ccccc1NC(=O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000007977017 221017625 /nfs/dbraw/zinc/01/76/25/221017625.db2.gz IMYDBGCBBXGYJE-UHFFFAOYSA-N 1 0 395.547 4.900 20 0 GJADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000016002822 221354551 /nfs/dbraw/zinc/35/45/51/221354551.db2.gz GGHBKMWJUGDDKX-UHFFFAOYSA-N 1 0 398.721 4.651 20 0 GJADRO COc1c(Br)cc(C[NH2+]Cc2ccc(C)cc2)cc1Br ZINC000020927371 570288198 /nfs/dbraw/zinc/28/81/98/570288198.db2.gz VCMZFSHCGBAQHA-UHFFFAOYSA-N 1 0 399.126 4.818 20 0 GJADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)CC2 ZINC001164386602 718802685 /nfs/dbraw/zinc/80/26/85/718802685.db2.gz AQKMWQWHJYWQGL-UHFFFAOYSA-N 1 0 383.895 4.716 20 0 GJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164416940 718892384 /nfs/dbraw/zinc/89/23/84/718892384.db2.gz GMMOELATLKOMIC-KRWDZBQOSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1cc2ccccc2nc1Cl)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164425572 718944187 /nfs/dbraw/zinc/94/41/87/718944187.db2.gz WHFXYBDMJLMGGG-APWZRJJASA-N 1 0 385.845 4.509 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4c(F)cccc42)CC3)cs1 ZINC001164692755 719809711 /nfs/dbraw/zinc/80/97/11/719809711.db2.gz MFBANHDWTMIBKQ-UHFFFAOYSA-N 1 0 396.535 4.774 20 0 GJADRO CCc1cc2c(ccnc2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)o1 ZINC001164703971 719816350 /nfs/dbraw/zinc/81/63/50/719816350.db2.gz WNORDYQADNDSRS-UHFFFAOYSA-N 1 0 396.560 4.790 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(Cl)nnc4C)CC3)CC2)cc1 ZINC001164758778 721043331 /nfs/dbraw/zinc/04/33/31/721043331.db2.gz BIIPWVXLEZXVIY-UHFFFAOYSA-N 1 0 384.955 4.629 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(C(C)C)ncn4)CC3)CC2)cc1 ZINC001164760571 721043388 /nfs/dbraw/zinc/04/33/88/721043388.db2.gz WMNXJEBKUGAMNK-UHFFFAOYSA-N 1 0 378.564 4.791 20 0 GJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164767864 721296207 /nfs/dbraw/zinc/29/62/07/721296207.db2.gz AJMUPKPFOKDVRI-UHFFFAOYSA-N 1 0 396.696 4.509 20 0 GJADRO Cc1cncc(COC[C@]23CCC[C@H]2C[N@@H+](C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804053 721601851 /nfs/dbraw/zinc/60/18/51/721601851.db2.gz WOCCOPVRFYQYFN-NZQKXSOJSA-N 1 0 399.966 4.992 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3Cl)C[C@@H]21 ZINC001165024638 721808442 /nfs/dbraw/zinc/80/84/42/721808442.db2.gz MPIJAVUZMXDHML-QILLFSRXSA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc(F)cc4n3)C[C@H]21 ZINC001165022183 721824710 /nfs/dbraw/zinc/82/47/10/721824710.db2.gz GNQPQPCJAKGELB-QTGUNEKASA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001165028217 721831736 /nfs/dbraw/zinc/83/17/36/721831736.db2.gz UWIFGYUECXHGNX-IOMROCGXSA-N 1 0 398.982 4.598 20 0 GJADRO Cc1ccc(CN(C)C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cc1 ZINC001165016287 721836597 /nfs/dbraw/zinc/83/65/97/721836597.db2.gz APKRTPJMPKOLRJ-UHFFFAOYSA-N 1 0 377.866 4.601 20 0 GJADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165048699 721976911 /nfs/dbraw/zinc/97/69/11/721976911.db2.gz KNKGFQLUAZNSQX-QGZVFWFLSA-N 1 0 388.918 4.781 20 0 GJADRO CC[NH+](CC)C1CCN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001165054470 722007079 /nfs/dbraw/zinc/00/70/79/722007079.db2.gz NGMNIKIWBZMFPH-UHFFFAOYSA-N 1 0 385.808 4.609 20 0 GJADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCC([NH+](CC)CC)CC2)cc1 ZINC001165054153 722007692 /nfs/dbraw/zinc/00/76/92/722007692.db2.gz KLPPDTJVJQTDLT-UHFFFAOYSA-N 1 0 388.943 4.795 20 0 GJADRO CC(=O)N1CC2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)c2cc(C)ccc21 ZINC001164989404 722189853 /nfs/dbraw/zinc/18/98/53/722189853.db2.gz MZHYXIMPGZYMLP-UHFFFAOYSA-N 1 0 397.950 4.679 20 0 GJADRO Cc1sc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164992803 722193646 /nfs/dbraw/zinc/19/36/46/722193646.db2.gz AZDZGAUWVAJDGY-JOCHJYFZSA-N 1 0 396.535 4.692 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccnc(-c4ccccc4)n2)C3)c1 ZINC001164994303 722194531 /nfs/dbraw/zinc/19/45/31/722194531.db2.gz MVCSZHKFHIYJNY-XMMPIXPASA-N 1 0 388.490 4.528 20 0 GJADRO CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@H]21 ZINC001165006550 722245817 /nfs/dbraw/zinc/24/58/17/722245817.db2.gz ZPAZSQPMJLCIFG-ISKFKSNPSA-N 1 0 390.575 4.514 20 0 GJADRO CCC[N@H+](CCC(=O)Nc1cc(C)on1)[C@@H](C)c1ccccc1Br ZINC000071954052 222200326 /nfs/dbraw/zinc/20/03/26/222200326.db2.gz JZWIZJVPMRCCCW-AWEZNQCLSA-N 1 0 394.313 4.547 20 0 GJADRO CCCOc1c(Br)cc(C[NH2+]Cc2ccc(OC)cc2)cc1OC ZINC000020932980 570288163 /nfs/dbraw/zinc/28/81/63/570288163.db2.gz LSTHIGJCFMMADQ-UHFFFAOYSA-N 1 0 394.309 4.545 20 0 GJADRO CCCOc1c(Br)cc(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000020932974 570288183 /nfs/dbraw/zinc/28/81/83/570288183.db2.gz OLVFGZLQTKWFTM-UHFFFAOYSA-N 1 0 378.310 4.845 20 0 GJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164416942 718892145 /nfs/dbraw/zinc/89/21/45/718892145.db2.gz GMMOELATLKOMIC-QGZVFWFLSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164618753 719043804 /nfs/dbraw/zinc/04/38/04/719043804.db2.gz BIHWGZKJXCIROL-CRAIPNDOSA-N 1 0 398.284 4.517 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc5cccnc5n4)CC3)CC2)cc1 ZINC001164758767 721043866 /nfs/dbraw/zinc/04/38/66/721043866.db2.gz BGKACRSIXNCKLD-UHFFFAOYSA-N 1 0 386.543 4.821 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc5ccccc5nn4)CC3)CC2)cc1 ZINC001164759168 721044089 /nfs/dbraw/zinc/04/40/89/721044089.db2.gz ILEKKGMHEYSFEF-UHFFFAOYSA-N 1 0 386.543 4.821 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc5ncsc54)CC3)CC2)cc1 ZINC001164759184 721045317 /nfs/dbraw/zinc/04/53/17/721045317.db2.gz JOAZQHHSNGLNEZ-UHFFFAOYSA-N 1 0 392.572 4.882 20 0 GJADRO Cc1cncc(COC[C@@]23CCC[C@H]2C[N@@H+](C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804055 721601893 /nfs/dbraw/zinc/60/18/93/721601893.db2.gz WOCCOPVRFYQYFN-REWPJTCUSA-N 1 0 399.966 4.992 20 0 GJADRO F[C@H](c1ccnc(Cl)c1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015017 721767407 /nfs/dbraw/zinc/76/74/07/721767407.db2.gz LWDOZDICLWJUQT-FQEVSTJZSA-N 1 0 382.826 4.710 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3Cl)C[C@@H]21 ZINC001165020323 721800896 /nfs/dbraw/zinc/80/08/96/721800896.db2.gz FDVVGJKNWKCNLH-DKSSEZFCSA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)ccn3)C[C@@H]21 ZINC001165022236 721806697 /nfs/dbraw/zinc/80/66/97/721806697.db2.gz IIWHHWUDNKNQIR-ZKMPZPQNSA-N 1 0 398.554 4.881 20 0 GJADRO C[NH+](C)CC1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC001165041616 721946606 /nfs/dbraw/zinc/94/66/06/721946606.db2.gz GIVYACZONCEZAP-UHFFFAOYSA-N 1 0 380.923 4.728 20 0 GJADRO FC(F)(N1CCCC[C@H]1CC[NH+]1CCCC1)C1(c2ccnc(Cl)c2)CC1 ZINC001165049148 721978858 /nfs/dbraw/zinc/97/88/58/721978858.db2.gz HGOMJFUNELMCAE-KRWDZBQOSA-N 1 0 383.914 4.700 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(-c4ccccc4)nn2)C3)c1 ZINC001164995648 722194943 /nfs/dbraw/zinc/19/49/43/722194943.db2.gz WOELTJPQQFYGCW-DEOSSOPVSA-N 1 0 388.490 4.528 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)cc4[nH]ccc42)C3)c1 ZINC001164993288 722195540 /nfs/dbraw/zinc/19/55/40/722195540.db2.gz FFPKOEKVGYPMGT-OAQYLSRUSA-N 1 0 384.886 4.600 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncc4ccc(Cl)cc4n2)C3)c1 ZINC001164995391 722202870 /nfs/dbraw/zinc/20/28/70/722202870.db2.gz NGOJQOHDTVYRFL-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO CC(C)CN1c2ccccc2[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]21 ZINC001165002386 722245567 /nfs/dbraw/zinc/24/55/67/722245567.db2.gz CKIOACRMLSJZEI-UPVQGACJSA-N 1 0 390.575 4.516 20 0 GJADRO CC(C)CN1c2ccccc2[C@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]21 ZINC001165002387 722245706 /nfs/dbraw/zinc/24/57/06/722245706.db2.gz CKIOACRMLSJZEI-VWNXMTODSA-N 1 0 390.575 4.516 20 0 GJADRO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(Br)c1OC ZINC000013726045 206995039 /nfs/dbraw/zinc/99/50/39/206995039.db2.gz IJLCLDYFBHWRPY-HNNXBMFYSA-N 1 0 392.337 4.967 20 0 GJADRO COc1ccc2cc(C(=O)Nc3ccc(C4CC[NH+](C)CC4)cc3)sc2c1 ZINC000084741759 208098539 /nfs/dbraw/zinc/09/85/39/208098539.db2.gz CVHPGUWEZFJFEF-UHFFFAOYSA-N 1 0 380.513 4.971 20 0 GJADRO c1c2ccccc2oc1-c1nnc(S[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000240407361 209018339 /nfs/dbraw/zinc/01/83/39/209018339.db2.gz FLQICDBDJUFMNY-KRWDZBQOSA-N 1 0 377.469 4.849 20 0 GJADRO CCCOc1c(Br)cc(C[NH2+]CCc2ccccc2)cc1OC ZINC000020932766 570288143 /nfs/dbraw/zinc/28/81/43/570288143.db2.gz DOZXGHHLDSWGFR-UHFFFAOYSA-N 1 0 378.310 4.579 20 0 GJADRO c1c2ccccc2oc1-c1nnc(S[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000240407362 570684919 /nfs/dbraw/zinc/68/49/19/570684919.db2.gz FLQICDBDJUFMNY-QGZVFWFLSA-N 1 0 377.469 4.849 20 0 GJADRO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474675 570790905 /nfs/dbraw/zinc/79/09/05/570790905.db2.gz QNRGGKCCWPLITI-UHFFFAOYSA-N 1 0 378.310 4.544 20 0 GJADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164628273 719043923 /nfs/dbraw/zinc/04/39/23/719043923.db2.gz XLBHULBIINIDSM-MAUKXSAKSA-N 1 0 398.284 4.517 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4c(C)cccc42)CC3)cs1 ZINC001164691955 719809279 /nfs/dbraw/zinc/80/92/79/719809279.db2.gz BOVQHVCKKFLIMU-UHFFFAOYSA-N 1 0 392.572 4.943 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc4ccsc4cn2)CC3)cs1 ZINC001164692874 719810085 /nfs/dbraw/zinc/81/00/85/719810085.db2.gz NIABYUMWJHXHTK-UHFFFAOYSA-N 1 0 384.574 4.696 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4cccc(C)c42)CC3)cs1 ZINC001164693483 719815300 /nfs/dbraw/zinc/81/53/00/719815300.db2.gz VJEDPHZQVOHFES-UHFFFAOYSA-N 1 0 392.572 4.943 20 0 GJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731063 720365701 /nfs/dbraw/zinc/36/57/01/720365701.db2.gz YTINYZWCOSIUJQ-MOPGFXCFSA-N 1 0 399.325 4.790 20 0 GJADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc2c(Cl)cccc12 ZINC001164861961 720987552 /nfs/dbraw/zinc/98/75/52/720987552.db2.gz RYAYRRRBNOQBOT-MRXNPFEDSA-N 1 0 397.954 4.815 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3c(F)cccc31)CC2 ZINC001164792447 721496400 /nfs/dbraw/zinc/49/64/00/721496400.db2.gz OTKOTDTUIVTTSR-UHFFFAOYSA-N 1 0 390.506 4.650 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165026564 721800218 /nfs/dbraw/zinc/80/02/18/721800218.db2.gz REVAQMQAOUEDEE-BMGDILEWSA-N 1 0 391.346 4.520 20 0 GJADRO Cc1cccc2c1ccnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025981 721812721 /nfs/dbraw/zinc/81/27/21/721812721.db2.gz OSMHINOFNSAGGR-IGKWTDBASA-N 1 0 386.543 4.675 20 0 GJADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165045774 721965925 /nfs/dbraw/zinc/96/59/25/721965925.db2.gz AKSZHNXHPRRWKP-OAHLLOKOSA-N 1 0 394.897 4.673 20 0 GJADRO CC[NH+](CC)C1CCN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)CC1 ZINC001165054666 722007977 /nfs/dbraw/zinc/00/79/77/722007977.db2.gz WUBYRGNJHSKPAK-UHFFFAOYSA-N 1 0 383.870 4.851 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(Cl)cc(Cl)n2)C3)c1 ZINC001164994147 722192010 /nfs/dbraw/zinc/19/20/10/722192010.db2.gz KPQWLLMYNOREMS-LJQANCHMSA-N 1 0 380.294 4.772 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc4c(Cl)ccnc4cn2)C3)c1 ZINC001164997234 722203425 /nfs/dbraw/zinc/20/34/25/722203425.db2.gz XJOIIXRBKMCOJM-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO CSc1cc(Cl)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995996 722206478 /nfs/dbraw/zinc/20/64/78/722206478.db2.gz RFUYIWXNDVQJQB-HXUWFJFHSA-N 1 0 391.943 4.841 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4nccc(Cl)c4n2)C3)c1 ZINC001164995024 722206644 /nfs/dbraw/zinc/20/66/44/722206644.db2.gz KLDVKHPKMJUEQK-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO COc1c(Br)cc(C[NH2+]CCc2ccccc2)cc1Br ZINC000020927164 208818412 /nfs/dbraw/zinc/81/84/12/208818412.db2.gz BIQOATSDMYYIRD-UHFFFAOYSA-N 1 0 399.126 4.553 20 0 GJADRO FC(F)(c1cc2ccccc2nc1Cl)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164425574 718943973 /nfs/dbraw/zinc/94/39/73/718943973.db2.gz WHFXYBDMJLMGGG-LPHOPBHVSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164620694 719044003 /nfs/dbraw/zinc/04/40/03/719044003.db2.gz GPCUCLANKLEWIS-QAPCUYQASA-N 1 0 398.284 4.517 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ccc2Cl)CC3)cs1 ZINC001164692429 719807301 /nfs/dbraw/zinc/80/73/01/719807301.db2.gz GRMBQIXEWFEZER-UHFFFAOYSA-N 1 0 397.375 4.788 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3cc(Cl)ccc3n1)[C@@H]2C ZINC001164857758 720932485 /nfs/dbraw/zinc/93/24/85/720932485.db2.gz MHTNICOKIZRRKF-OAHLLOKOSA-N 1 0 383.927 4.506 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3sccc31)[C@H]2C ZINC001164862431 720947991 /nfs/dbraw/zinc/94/79/91/720947991.db2.gz VMSUPJBWMCPNCL-ZDUSSCGKSA-N 1 0 389.956 4.568 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5ccccc54)CC3)CC2)cc1 ZINC001164762883 721041959 /nfs/dbraw/zinc/04/19/59/721041959.db2.gz JARAEXVLUZLBJM-UHFFFAOYSA-N 1 0 386.543 4.821 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccnc(C5CC5)n4)CC3)CC2)cc1 ZINC001164758704 721044663 /nfs/dbraw/zinc/04/46/63/721044663.db2.gz AQXRNNRRWZQMMC-UHFFFAOYSA-N 1 0 376.548 4.545 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(OC(C)(C)C)n1)CC2 ZINC001164792201 721496812 /nfs/dbraw/zinc/49/68/12/721496812.db2.gz KDQYSDHEMXPLRB-UHFFFAOYSA-N 1 0 394.563 4.535 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3Cl)C[C@@H]21 ZINC001165020336 721800786 /nfs/dbraw/zinc/80/07/86/721800786.db2.gz FDVVGJKNWKCNLH-UCLAIMLFSA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc(F)c4n3)C[C@H]21 ZINC001165029029 721820254 /nfs/dbraw/zinc/82/02/54/721820254.db2.gz YQOMFOLMWXTOCD-SYYKKAFVSA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccc(F)cc4cn3)C[C@@H]21 ZINC001165023085 721825886 /nfs/dbraw/zinc/82/58/86/721825886.db2.gz HKQSGLQRSKLSQC-YFXJRYMSSA-N 1 0 390.506 4.506 20 0 GJADRO Fc1ccc(OC2CCN(c3ncccc3C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC001165033923 721880216 /nfs/dbraw/zinc/88/02/16/721880216.db2.gz YZLJPGFLDQNAJF-UHFFFAOYSA-N 1 0 389.902 4.518 20 0 GJADRO C[NH+](C)CC1CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001165045017 721948453 /nfs/dbraw/zinc/94/84/53/721948453.db2.gz LQYCFXOTCBBQNK-UHFFFAOYSA-N 1 0 380.923 4.728 20 0 GJADRO C[NH+](C)CC1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CC1 ZINC001165042499 721950178 /nfs/dbraw/zinc/95/01/78/721950178.db2.gz NHIRDCPKXJAAPD-UHFFFAOYSA-N 1 0 397.872 4.864 20 0 GJADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046311 721967186 /nfs/dbraw/zinc/96/71/86/721967186.db2.gz DLEOFVNEOZKOMU-MRXNPFEDSA-N 1 0 394.897 4.673 20 0 GJADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047123 721968631 /nfs/dbraw/zinc/96/86/31/721968631.db2.gz IRYBQZSSRFJIHP-INIZCTEOSA-N 1 0 394.897 4.673 20 0 GJADRO Cc1ccc(Cl)c(O[C@H]2CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)c1 ZINC001165050242 721979780 /nfs/dbraw/zinc/97/97/80/721979780.db2.gz RQODZNXMGIAQDH-IBGZPJMESA-N 1 0 385.939 4.687 20 0 GJADRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001164952293 722005558 /nfs/dbraw/zinc/00/55/58/722005558.db2.gz MHTPZHBNGRDYNH-AEFFLSMTSA-N 1 0 392.934 4.642 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4c(Cl)cccc42)C3)c1 ZINC001164995570 722195594 /nfs/dbraw/zinc/19/55/94/722195594.db2.gz VMVNPSSWLAKJNB-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4cc(Cl)cnc4n2)C3)c1 ZINC001164993257 722198224 /nfs/dbraw/zinc/19/82/24/722198224.db2.gz DOOLUEVUHSNJSK-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(-c4ccsc4)nn2)C3)c1 ZINC001164994658 722211346 /nfs/dbraw/zinc/21/13/46/722211346.db2.gz CCLBOTWTJSZKNX-QFIPXVFZSA-N 1 0 394.519 4.589 20 0 GJADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4s3)c(C)c2)CC1 ZINC000022068015 207245796 /nfs/dbraw/zinc/24/57/96/207245796.db2.gz VDHKQFSKOKRYKZ-UHFFFAOYSA-N 1 0 379.529 4.604 20 0 GJADRO CCOc1cc(C[NH2+]CCOC)ccc1OCc1c(Cl)cccc1Cl ZINC000040736971 208112382 /nfs/dbraw/zinc/11/23/82/208112382.db2.gz LLVAMRYJJNNDSV-UHFFFAOYSA-N 1 0 384.303 4.707 20 0 GJADRO COc1ccc(-c2n[nH]cc2C[N@H+](CCc2ccccc2)Cc2ccncc2)cc1 ZINC000013990183 221295971 /nfs/dbraw/zinc/29/59/71/221295971.db2.gz YWQGQGAMNIMBFO-UHFFFAOYSA-N 1 0 398.510 4.725 20 0 GJADRO CCOc1c(Br)cc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC ZINC000013721193 570863549 /nfs/dbraw/zinc/86/35/49/570863549.db2.gz JOSKBBXFRQEQCS-UHFFFAOYSA-N 1 0 398.728 4.842 20 0 GJADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)CC2 ZINC001164388716 718802184 /nfs/dbraw/zinc/80/21/84/718802184.db2.gz ZYQUVZXEZISZSB-UHFFFAOYSA-N 1 0 395.856 4.794 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388595 718804020 /nfs/dbraw/zinc/80/40/20/718804020.db2.gz XQVWXFJPFBRMRR-UHFFFAOYSA-N 1 0 381.854 4.652 20 0 GJADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164421306 718893055 /nfs/dbraw/zinc/89/30/55/718893055.db2.gz XBPLXHKXEYMLEQ-CYBMUJFWSA-N 1 0 397.819 4.657 20 0 GJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423123 718941981 /nfs/dbraw/zinc/94/19/81/718941981.db2.gz FFKRXYLUUGAWLE-MJGOQNOKSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001164449156 719003349 /nfs/dbraw/zinc/00/33/49/719003349.db2.gz LWIPUCZLQZJZKO-JKSUJKDBSA-N 1 0 384.257 4.541 20 0 GJADRO Clc1ccc(-c2ccccc2)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729012 720380821 /nfs/dbraw/zinc/38/08/21/720380821.db2.gz UQUOOMFTOUVIRQ-SFTDATJTSA-N 1 0 390.918 4.650 20 0 GJADRO Cc1c(Cl)ccc2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nc21 ZINC001164860523 720989859 /nfs/dbraw/zinc/98/98/59/720989859.db2.gz OMODHBCGLWBIOJ-INIZCTEOSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1ccc(-c2nnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c3ccccc32)cc1 ZINC001164770311 721297792 /nfs/dbraw/zinc/29/77/92/721297792.db2.gz RCCXPPDZRVZJHF-UHFFFAOYSA-N 1 0 384.527 4.527 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3Cl)C[C@H]21 ZINC001165024636 721808388 /nfs/dbraw/zinc/80/83/88/721808388.db2.gz MPIJAVUZMXDHML-QGPMSJSTSA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cc(F)ccc4n3)C[C@@H]21 ZINC001165023600 721809681 /nfs/dbraw/zinc/80/96/81/721809681.db2.gz IHHQRQRKPOHTFG-AVCGJXAMSA-N 1 0 390.506 4.506 20 0 GJADRO Cc1ccc2ccnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165025528 721811628 /nfs/dbraw/zinc/81/16/28/721811628.db2.gz NGOFYFRPDZIIGM-ZTCOLXNVSA-N 1 0 386.543 4.675 20 0 GJADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001165043746 721938334 /nfs/dbraw/zinc/93/83/34/721938334.db2.gz FIGKAXIODMPETC-UHFFFAOYSA-N 1 0 397.872 4.864 20 0 GJADRO CC[NH+](CC)C1CCN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001165054447 722006634 /nfs/dbraw/zinc/00/66/34/722006634.db2.gz MOMINELMDHCPJZ-UHFFFAOYSA-N 1 0 394.897 4.653 20 0 GJADRO CC[NH+](CC)C1CCN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)CC1 ZINC001165054406 722006747 /nfs/dbraw/zinc/00/67/47/722006747.db2.gz LUJKAYNBHARCOS-UHFFFAOYSA-N 1 0 394.897 4.653 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(Cl)nc4ncccc24)C3)c1 ZINC001164994230 722198218 /nfs/dbraw/zinc/19/82/18/722198218.db2.gz LWGOBOFMZTUQHN-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(-c4cccs4)ncn2)C3)c1 ZINC001164996246 722209414 /nfs/dbraw/zinc/20/94/14/722209414.db2.gz SCVCNURUMJPLDX-QFIPXVFZSA-N 1 0 394.519 4.589 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(-c4ccsc4)nn2)C3)c1 ZINC001164994655 722211139 /nfs/dbraw/zinc/21/11/39/722211139.db2.gz CCLBOTWTJSZKNX-JOCHJYFZSA-N 1 0 394.519 4.589 20 0 GJADRO CCc1nc2sccc2c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994366 722211431 /nfs/dbraw/zinc/21/14/31/722211431.db2.gz BEJVMKUDUADEDQ-QFIPXVFZSA-N 1 0 396.535 4.638 20 0 GJADRO CC(C)[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000026312484 207311986 /nfs/dbraw/zinc/31/19/86/207311986.db2.gz SRZRUZYBHGELMW-LJQANCHMSA-N 1 0 376.294 4.707 20 0 GJADRO O[C@H](C[NH+]1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000095080060 208152886 /nfs/dbraw/zinc/15/28/86/208152886.db2.gz MIOHFLDFRBPMGJ-HXUWFJFHSA-N 1 0 392.312 4.576 20 0 GJADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621761 719043741 /nfs/dbraw/zinc/04/37/41/719043741.db2.gz JSPCHGJDQSZLTN-KSSFIOAISA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164620685 719043818 /nfs/dbraw/zinc/04/38/18/719043818.db2.gz GPCUCLANKLEWIS-CRAIPNDOSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164623265 719043897 /nfs/dbraw/zinc/04/38/97/719043897.db2.gz MPENWVGTCNJFIG-SJLPKXTDSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164628274 719043939 /nfs/dbraw/zinc/04/39/39/719043939.db2.gz XLBHULBIINIDSM-QAPCUYQASA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)c1nc2ccccc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628457 719102176 /nfs/dbraw/zinc/10/21/76/719102176.db2.gz MXRJRIDDQKQZPL-PXNSSMCTSA-N 1 0 394.469 4.668 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncncc4C(C)C)CC3)CC2)cc1 ZINC001164760648 721044070 /nfs/dbraw/zinc/04/40/70/721044070.db2.gz ZLCRVLDJFYKEHM-UHFFFAOYSA-N 1 0 378.564 4.791 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccsc31)CC2 ZINC001164791566 721493066 /nfs/dbraw/zinc/49/30/66/721493066.db2.gz DPJYNJOGSQDPMM-UHFFFAOYSA-N 1 0 378.545 4.572 20 0 GJADRO Cc1cccc2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165020408 721799474 /nfs/dbraw/zinc/79/94/74/721799474.db2.gz FPRODLLEPHFFBL-PMVMPFDFSA-N 1 0 386.543 4.675 20 0 GJADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccc12 ZINC001165025173 721810694 /nfs/dbraw/zinc/81/06/94/721810694.db2.gz LPYLWBPTFVDJCA-APTRMMRNSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(F)cc43)C[C@H]21 ZINC001165025986 721813563 /nfs/dbraw/zinc/81/35/63/721813563.db2.gz OTLDAIJJANWMGF-SXSPYAJSSA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001165028213 721831669 /nfs/dbraw/zinc/83/16/69/721831669.db2.gz UWIFGYUECXHGNX-DUXKGJEZSA-N 1 0 398.982 4.598 20 0 GJADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001165045318 721938373 /nfs/dbraw/zinc/93/83/73/721938373.db2.gz YRGPMZCCYYAAJX-UHFFFAOYSA-N 1 0 397.872 4.864 20 0 GJADRO C[NH+](C)CC1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001165045719 721948511 /nfs/dbraw/zinc/94/85/11/721948511.db2.gz YACWTXIHIRYECY-UHFFFAOYSA-N 1 0 386.952 4.790 20 0 GJADRO C[NH+](C)CC1CCN(c2cc(-c3ccccc3)nc(-c3cccs3)n2)CC1 ZINC001165044810 721949898 /nfs/dbraw/zinc/94/98/98/721949898.db2.gz IXXHUUNWJZUBBR-UHFFFAOYSA-N 1 0 378.545 4.650 20 0 GJADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048250 721969597 /nfs/dbraw/zinc/96/95/97/721969597.db2.gz NCIXGMHVRXNZQI-MRXNPFEDSA-N 1 0 394.897 4.673 20 0 GJADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049838 721976224 /nfs/dbraw/zinc/97/62/24/721976224.db2.gz SEFDWJZJMFRTOV-HNNXBMFYSA-N 1 0 394.897 4.673 20 0 GJADRO CC[NH+](CC)C1CCN(c2c(OC)ccc3c(Cl)cc(Cl)nc32)CC1 ZINC001165053613 722004174 /nfs/dbraw/zinc/00/41/74/722004174.db2.gz QRQQKCVNZDJSOR-UHFFFAOYSA-N 1 0 382.335 4.861 20 0 GJADRO Clc1cccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc12 ZINC001164953631 722016836 /nfs/dbraw/zinc/01/68/36/722016836.db2.gz WEARYUCTDUZULL-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO CC(C)CN1c2ccccc2[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@H]21 ZINC001165002385 722245658 /nfs/dbraw/zinc/24/56/58/722245658.db2.gz CKIOACRMLSJZEI-LADGPHEKSA-N 1 0 390.575 4.516 20 0 GJADRO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000013720319 221284213 /nfs/dbraw/zinc/28/42/13/221284213.db2.gz AVIRUCYNOCKXHU-UHFFFAOYSA-N 1 0 381.447 4.712 20 0 GJADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)CC2 ZINC001164386622 718802201 /nfs/dbraw/zinc/80/22/01/718802201.db2.gz AVJFKCOMULZJBM-UHFFFAOYSA-N 1 0 395.856 4.794 20 0 GJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164423121 718941977 /nfs/dbraw/zinc/94/19/77/718941977.db2.gz FFKRXYLUUGAWLE-HKUYNNGSSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cccc2c(Cl)nccc21)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424860 718944158 /nfs/dbraw/zinc/94/41/58/718944158.db2.gz QSRYDMFMUIVZAM-IEBWSBKVSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164425578 718944181 /nfs/dbraw/zinc/94/41/81/718944181.db2.gz WHFXYBDMJLMGGG-VQIMIIECSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1cccc2c(Cl)nccc21)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424863 718944288 /nfs/dbraw/zinc/94/42/88/718944288.db2.gz QSRYDMFMUIVZAM-MJGOQNOKSA-N 1 0 385.845 4.509 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3Cl)C[C@@H]21 ZINC001165024641 721808392 /nfs/dbraw/zinc/80/83/92/721808392.db2.gz MPIJAVUZMXDHML-UWWQBHOKSA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cc(F)ccc4n3)C[C@@H]21 ZINC001165023604 721809738 /nfs/dbraw/zinc/80/97/38/721809738.db2.gz IHHQRQRKPOHTFG-RZFNWQHOSA-N 1 0 390.506 4.506 20 0 GJADRO Cc1cccc2c1ccnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025982 721812652 /nfs/dbraw/zinc/81/26/52/721812652.db2.gz OSMHINOFNSAGGR-WDJPJFJCSA-N 1 0 386.543 4.675 20 0 GJADRO C[NH+](C)CC1CCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001165042172 721944834 /nfs/dbraw/zinc/94/48/34/721944834.db2.gz PTASWILYEMSUEH-UHFFFAOYSA-N 1 0 388.289 4.865 20 0 GJADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047030 721974688 /nfs/dbraw/zinc/97/46/88/721974688.db2.gz DHLLXLWSEDHVJS-MRXNPFEDSA-N 1 0 375.948 4.510 20 0 GJADRO Clc1ccc2c(Cl)nnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1 ZINC001165047154 721977542 /nfs/dbraw/zinc/97/75/42/721977542.db2.gz DRQQDCJFHGTAJG-OAHLLOKOSA-N 1 0 379.335 4.781 20 0 GJADRO CC[NH+](CC)C1CCN(c2ncnc3cc(OCc4ccccc4)ccc32)CC1 ZINC001165054572 722007347 /nfs/dbraw/zinc/00/73/47/722007347.db2.gz RRBNFAWLPMYFJE-UHFFFAOYSA-N 1 0 390.531 4.519 20 0 GJADRO Clc1ccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc2c1 ZINC001164955540 722013651 /nfs/dbraw/zinc/01/36/51/722013651.db2.gz WFZMWNLLTMRSFG-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nncc4cc(Cl)ccc42)C3)c1 ZINC001164994875 722201167 /nfs/dbraw/zinc/20/11/67/722201167.db2.gz JAGAKPROJWDPHE-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cnc(-c4ccccc4)cn2)C3)c1 ZINC001164995175 722207944 /nfs/dbraw/zinc/20/79/44/722207944.db2.gz LJWHMASNOYMHKY-XMMPIXPASA-N 1 0 388.490 4.528 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164996914 722211546 /nfs/dbraw/zinc/21/15/46/722211546.db2.gz OKIXTDWDZPERAZ-XMMPIXPASA-N 1 0 395.522 4.535 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164996913 722211582 /nfs/dbraw/zinc/21/15/82/722211582.db2.gz OKIXTDWDZPERAZ-DEOSSOPVSA-N 1 0 395.522 4.535 20 0 GJADRO CC(C)(c1ccnc(Cl)c1)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994844 722213716 /nfs/dbraw/zinc/21/37/16/722213716.db2.gz DTPZIZXPDUSYLU-JOCHJYFZSA-N 1 0 387.930 4.850 20 0 GJADRO COc1cc(Br)c(C[NH2+][C@@H](C)CCc2ccccc2)cc1OC ZINC000060814996 222061258 /nfs/dbraw/zinc/06/12/58/222061258.db2.gz AQHRAOPMGGLVIK-AWEZNQCLSA-N 1 0 378.310 4.577 20 0 GJADRO CCCOc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)CC ZINC000020929723 570285301 /nfs/dbraw/zinc/28/53/01/570285301.db2.gz AILKPXSSQXKKFY-JTQLQIEISA-N 1 0 379.136 4.889 20 0 GJADRO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCCC12CC[NH2+]CC2 ZINC001164421898 718911279 /nfs/dbraw/zinc/91/12/79/718911279.db2.gz VOSXZCVOSANERB-UHFFFAOYSA-N 1 0 384.685 4.699 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3cc(Cl)ccc3n1)[C@H]2C ZINC001164857753 720931657 /nfs/dbraw/zinc/93/16/57/720931657.db2.gz MHTNICOKIZRRKF-HNNXBMFYSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1ccc(F)c2cc(C)c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nc12 ZINC001164863492 720976824 /nfs/dbraw/zinc/97/68/24/720976824.db2.gz VUXCFFBONVMLMK-KRWDZBQOSA-N 1 0 395.526 4.609 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc(C(F)F)n4)CC3)CC2)cc1 ZINC001164758845 721045296 /nfs/dbraw/zinc/04/52/96/721045296.db2.gz CKJOHBPFKBKBGC-UHFFFAOYSA-N 1 0 386.490 4.605 20 0 GJADRO c1ccc(-c2ncc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2-c2ccccc2)cc1 ZINC001164774179 721287545 /nfs/dbraw/zinc/28/75/45/721287545.db2.gz XTNHXPYIEOEDSR-UHFFFAOYSA-N 1 0 396.538 4.733 20 0 GJADRO CC(C)c1c(Cl)ncnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795747 721502923 /nfs/dbraw/zinc/50/29/23/721502923.db2.gz MSTIXRNOUFSBAY-UHFFFAOYSA-N 1 0 399.970 4.529 20 0 GJADRO Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c1 ZINC001165019622 721799708 /nfs/dbraw/zinc/79/97/08/721799708.db2.gz DJAPSIHQRAGMFC-SSPYTLHUSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cc(F)ccc4n3)C[C@H]21 ZINC001165023603 721809764 /nfs/dbraw/zinc/80/97/64/721809764.db2.gz IHHQRQRKPOHTFG-QTGUNEKASA-N 1 0 390.506 4.506 20 0 GJADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc12 ZINC001165025176 721810750 /nfs/dbraw/zinc/81/07/50/721810750.db2.gz LPYLWBPTFVDJCA-KWOQKUFVSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(F)cc43)C[C@@H]21 ZINC001165025985 721813518 /nfs/dbraw/zinc/81/35/18/721813518.db2.gz OTLDAIJJANWMGF-OFAXGOBFSA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc(F)c4n3)C[C@@H]21 ZINC001165029025 721820453 /nfs/dbraw/zinc/82/04/53/721820453.db2.gz YQOMFOLMWXTOCD-KAGYGMCKSA-N 1 0 390.506 4.506 20 0 GJADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046569 721972794 /nfs/dbraw/zinc/97/27/94/721972794.db2.gz AGKQQCBHZILWQP-QGZVFWFLSA-N 1 0 394.897 4.673 20 0 GJADRO Clc1ccc2c(Cl)nnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1 ZINC001165047139 721977466 /nfs/dbraw/zinc/97/74/66/721977466.db2.gz DRQQDCJFHGTAJG-HNNXBMFYSA-N 1 0 379.335 4.781 20 0 GJADRO CC[NH+](CC)C1CCN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001165052964 722001577 /nfs/dbraw/zinc/00/15/77/722001577.db2.gz GUDXHUKRQUVODF-UHFFFAOYSA-N 1 0 396.485 4.886 20 0 GJADRO Clc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2ccsc2n1 ZINC001164951764 722016077 /nfs/dbraw/zinc/01/60/77/722016077.db2.gz DJRVKYSGDJLKAN-UHFFFAOYSA-N 1 0 398.963 4.837 20 0 GJADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC(OCC4CC4)C3)CC2)nc1 ZINC001164977971 722172700 /nfs/dbraw/zinc/17/27/00/722172700.db2.gz OPMKNLUHTJDKHB-QFIPXVFZSA-N 1 0 383.580 4.804 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cnc4ccc(Cl)cc4n2)C3)c1 ZINC001164993919 722198547 /nfs/dbraw/zinc/19/85/47/722198547.db2.gz JHAHKYXJCRHNNR-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nccc4ccc(F)cc42)C3)c1 ZINC001164995903 722200689 /nfs/dbraw/zinc/20/06/89/722200689.db2.gz PSDJKTXDMBKOBC-HSZRJFAPSA-N 1 0 379.454 4.758 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc4ccc(Cl)nc4cn2)C3)c1 ZINC001164995920 722201308 /nfs/dbraw/zinc/20/13/08/722201308.db2.gz PWSGZZPEZGXOAR-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4ccc(F)cc4n2)C3)c1 ZINC001164996313 722208273 /nfs/dbraw/zinc/20/82/73/722208273.db2.gz TUPSYPYYHLSWHT-QHCPKHFHSA-N 1 0 379.454 4.758 20 0 GJADRO COc1cccc2c1ccnc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997188 722210294 /nfs/dbraw/zinc/21/02/94/722210294.db2.gz WTPJDNYRSCDWII-XMMPIXPASA-N 1 0 391.490 4.627 20 0 GJADRO CC(C)(C)OC(=O)N1CC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000095831026 222361618 /nfs/dbraw/zinc/36/16/18/222361618.db2.gz AIVKRCJBYDIBBC-UHFFFAOYSA-N 1 0 378.516 4.976 20 0 GJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164419211 718891762 /nfs/dbraw/zinc/89/17/62/718891762.db2.gz QRHJYECLUMLQSC-GOSISDBHSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164419212 718891817 /nfs/dbraw/zinc/89/18/17/718891817.db2.gz QRHJYECLUMLQSC-SFHVURJKSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164421008 718893791 /nfs/dbraw/zinc/89/37/91/718893791.db2.gz OWTWFKYJMGNGLF-KRWDZBQOSA-N 1 0 395.881 4.898 20 0 GJADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164628272 719043825 /nfs/dbraw/zinc/04/38/25/719043825.db2.gz XLBHULBIINIDSM-CRAIPNDOSA-N 1 0 398.284 4.517 20 0 GJADRO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164621757 719043888 /nfs/dbraw/zinc/04/38/88/719043888.db2.gz JSPCHGJDQSZLTN-KBXCAEBGSA-N 1 0 398.284 4.517 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4ccc(F)cc4n2)CC3)cs1 ZINC001164692151 719814071 /nfs/dbraw/zinc/81/40/71/719814071.db2.gz MJQQABALYINSQW-UHFFFAOYSA-N 1 0 396.535 4.774 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(C)(C)C)cn2)CC3)cs1 ZINC001164701121 719817214 /nfs/dbraw/zinc/81/72/14/719817214.db2.gz ODCFBTPUYTZMBJ-UHFFFAOYSA-N 1 0 384.593 4.779 20 0 GJADRO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ccc12 ZINC001164723667 720474037 /nfs/dbraw/zinc/47/40/37/720474037.db2.gz DBRZKVBMBORQDD-MOPGFXCFSA-N 1 0 399.325 4.790 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(Cl)c(C)n4)CC3)CC2)cc1 ZINC001164758765 721042619 /nfs/dbraw/zinc/04/26/19/721042619.db2.gz BFTWXOJKDDIVJR-UHFFFAOYSA-N 1 0 384.955 4.629 20 0 GJADRO Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c1 ZINC001165019620 721799901 /nfs/dbraw/zinc/79/99/01/721799901.db2.gz DJAPSIHQRAGMFC-ODGPQVTHSA-N 1 0 386.543 4.675 20 0 GJADRO Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c1 ZINC001165019616 721800013 /nfs/dbraw/zinc/80/00/13/721800013.db2.gz DJAPSIHQRAGMFC-BGWNEDDSSA-N 1 0 386.543 4.675 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccc(F)cc4cn3)C[C@H]21 ZINC001165023082 721825823 /nfs/dbraw/zinc/82/58/23/721825823.db2.gz HKQSGLQRSKLSQC-SXSPYAJSSA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccc(N2CCC(Oc3ccc(F)cc3Cl)CC2)nc1)C1CC1 ZINC001165032824 721880223 /nfs/dbraw/zinc/88/02/23/721880223.db2.gz FAOWCKZEBGTTDR-UHFFFAOYSA-N 1 0 389.902 4.516 20 0 GJADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C1 ZINC001165037721 721897900 /nfs/dbraw/zinc/89/79/00/721897900.db2.gz XXWJXVXGKSMVGI-INIZCTEOSA-N 1 0 383.845 4.616 20 0 GJADRO C[NH+](C)CC1CCN(c2ccc3cc(OCc4ccccc4)ccc3n2)CC1 ZINC001165042928 721946681 /nfs/dbraw/zinc/94/66/81/721946681.db2.gz ZHVCBAHGHJALPQ-UHFFFAOYSA-N 1 0 375.516 4.592 20 0 GJADRO CC[NH+](CC)C1CCN(c2nc(C)c(Cc3ccc(Cl)cc3)c(C)n2)CC1 ZINC001165054635 722006963 /nfs/dbraw/zinc/00/69/63/722006963.db2.gz UZMPJZRMBWHIPO-UHFFFAOYSA-N 1 0 386.971 4.648 20 0 GJADRO Clc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2sccc2n1 ZINC001164952550 722015591 /nfs/dbraw/zinc/01/55/91/722015591.db2.gz NJOUINLXQULHKJ-UHFFFAOYSA-N 1 0 398.963 4.837 20 0 GJADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164979714 722166192 /nfs/dbraw/zinc/16/61/92/722166192.db2.gz VTQAHXXMRLUPNE-DENIHFKCSA-N 1 0 392.971 4.800 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cnc4cccc(Cl)c4n2)C3)c1 ZINC001164994286 722195600 /nfs/dbraw/zinc/19/56/00/722195600.db2.gz MOUWANBRSGAZBE-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncc4cc(Cl)ccc4n2)C3)c1 ZINC001164996655 722201889 /nfs/dbraw/zinc/20/18/89/722201889.db2.gz UWWZHKLHRYWUBJ-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4c(Cl)ccnc4n2)C3)c1 ZINC001164997305 722202887 /nfs/dbraw/zinc/20/28/87/722202887.db2.gz YYZHNVZNSUKGFH-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]21 ZINC001165006034 722245516 /nfs/dbraw/zinc/24/55/16/722245516.db2.gz WVHNZUHODUZXKF-LADGPHEKSA-N 1 0 390.575 4.516 20 0 GJADRO C[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(Cl)nc1 ZINC000359979405 206275631 /nfs/dbraw/zinc/27/56/31/206275631.db2.gz SIBWFVGUFIZKGY-INIZCTEOSA-N 1 0 396.922 4.705 20 0 GJADRO O=C(CCc1nc2ccccc2s1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003386082 206476153 /nfs/dbraw/zinc/47/61/53/206476153.db2.gz ACMNJMHMKWWGCB-UHFFFAOYSA-N 1 0 385.577 4.534 20 0 GJADRO COCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013722220 221284447 /nfs/dbraw/zinc/28/44/47/221284447.db2.gz ZYRSBWMGAIHSKJ-UHFFFAOYSA-N 1 0 384.303 4.707 20 0 GJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000016140478 221358232 /nfs/dbraw/zinc/35/82/32/221358232.db2.gz VVMHFMVDCVNAMA-UHFFFAOYSA-N 1 0 383.294 4.904 20 0 GJADRO [NH3+][C@]12C[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2 ZINC001164418895 718897484 /nfs/dbraw/zinc/89/74/84/718897484.db2.gz GLBBDHUADAHDKR-PXAZEXFGSA-N 1 0 384.257 4.528 20 0 GJADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624606 719045852 /nfs/dbraw/zinc/04/58/52/719045852.db2.gz OKAQHHACORFXDV-KBXCAEBGSA-N 1 0 398.284 4.517 20 0 GJADRO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725841 720381036 /nfs/dbraw/zinc/38/10/36/720381036.db2.gz NTQPYZBWZIHMBM-NHCUHLMSSA-N 1 0 390.918 4.650 20 0 GJADRO Clc1ccc2ccc(Cl)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2n1 ZINC001164724788 720473751 /nfs/dbraw/zinc/47/37/51/720473751.db2.gz HIHWZBCLCZVHNZ-ROUUACIJSA-N 1 0 399.325 4.790 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(Cl)cccc3n1)[C@H]2C ZINC001164863427 720957817 /nfs/dbraw/zinc/95/78/17/720957817.db2.gz ZYASZMYUUVOEKO-HNNXBMFYSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc2cc(Cl)ccc12 ZINC001164863532 720977855 /nfs/dbraw/zinc/97/78/55/720977855.db2.gz WBCONEYAGARUNR-MRXNPFEDSA-N 1 0 397.954 4.815 20 0 GJADRO CC(C)c1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(C(C)(C)C)n1 ZINC001164856749 721010465 /nfs/dbraw/zinc/01/04/65/721010465.db2.gz BRNVGROMYCXLAY-QGZVFWFLSA-N 1 0 398.599 4.515 20 0 GJADRO Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc2ccccc12 ZINC001164791345 721494468 /nfs/dbraw/zinc/49/44/68/721494468.db2.gz AZFKXGLKTVNMOD-UHFFFAOYSA-N 1 0 386.543 4.819 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(F)c3ccccc31)CC2 ZINC001164791559 721495895 /nfs/dbraw/zinc/49/58/95/721495895.db2.gz DOVOBLSBPNJGIG-UHFFFAOYSA-N 1 0 390.506 4.650 20 0 GJADRO Cc1nc(Cl)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164791999 721496645 /nfs/dbraw/zinc/49/66/45/721496645.db2.gz IYBPALZFXPZEPF-UHFFFAOYSA-N 1 0 384.955 4.628 20 0 GJADRO Cc1cc2ccccc2c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)[nH+]1 ZINC001164911762 721758462 /nfs/dbraw/zinc/75/84/62/721758462.db2.gz YUAWVYWULGZQJU-UHFFFAOYSA-N 1 0 398.510 4.726 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccc(F)cc4cn3)C[C@H]21 ZINC001165023075 721825841 /nfs/dbraw/zinc/82/58/41/721825841.db2.gz HKQSGLQRSKLSQC-CDNPAEQRSA-N 1 0 390.506 4.506 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165028215 721831862 /nfs/dbraw/zinc/83/18/62/721831862.db2.gz UWIFGYUECXHGNX-DZFGPLHGSA-N 1 0 398.982 4.598 20 0 GJADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001165045123 721939428 /nfs/dbraw/zinc/93/94/28/721939428.db2.gz UNFWSGHFWAZLPS-UHFFFAOYSA-N 1 0 385.911 4.786 20 0 GJADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046310 721967093 /nfs/dbraw/zinc/96/70/93/721967093.db2.gz DLEOFVNEOZKOMU-INIZCTEOSA-N 1 0 394.897 4.673 20 0 GJADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046261 721970855 /nfs/dbraw/zinc/97/08/55/721970855.db2.gz CEGMUOAOGWILCA-CQSZACIVSA-N 1 0 382.886 4.606 20 0 GJADRO c1ccc(SCc2nccc(N3CCCC[C@H]3CC[NH+]3CCCC3)n2)cc1 ZINC001165051122 721978508 /nfs/dbraw/zinc/97/85/08/721978508.db2.gz YIJUDQIKUGJYGX-IBGZPJMESA-N 1 0 382.577 4.614 20 0 GJADRO CC[NH+](CC)C1CCN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC1 ZINC001165053662 722005226 /nfs/dbraw/zinc/00/52/26/722005226.db2.gz RJQYAOPIOIUNCE-UHFFFAOYSA-N 1 0 386.701 4.897 20 0 GJADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001165054606 722007336 /nfs/dbraw/zinc/00/73/36/722007336.db2.gz TUTWRSUMSFSWFO-UHFFFAOYSA-N 1 0 395.334 4.886 20 0 GJADRO Clc1cccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164952929 722016094 /nfs/dbraw/zinc/01/60/94/722016094.db2.gz PAJLIPKLTYNYBI-UHFFFAOYSA-N 1 0 392.934 4.776 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nccc4cc(Cl)ncc42)C3)c1 ZINC001164992844 722197347 /nfs/dbraw/zinc/19/73/47/722197347.db2.gz BDUVLVVTPNZBFQ-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO CSc1cc(Cl)ncc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994649 722197795 /nfs/dbraw/zinc/19/77/95/722197795.db2.gz OUEBSDKWUQIEKU-FQEVSTJZSA-N 1 0 391.943 4.841 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncc(F)c4ccccc42)C3)c1 ZINC001164994476 722200870 /nfs/dbraw/zinc/20/08/70/722200870.db2.gz HULQRYJTHUGTGW-QHCPKHFHSA-N 1 0 379.454 4.758 20 0 GJADRO COc1cccc2c1ccnc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997186 722209944 /nfs/dbraw/zinc/20/99/44/722209944.db2.gz WTPJDNYRSCDWII-DEOSSOPVSA-N 1 0 391.490 4.627 20 0 GJADRO CC(C)CN1c2ccccc2[C@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@H]21 ZINC001165002384 722245844 /nfs/dbraw/zinc/24/58/44/722245844.db2.gz CKIOACRMLSJZEI-ISKFKSNPSA-N 1 0 390.575 4.516 20 0 GJADRO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000013718623 206993339 /nfs/dbraw/zinc/99/33/39/206993339.db2.gz GDNRDFKMRGTYGF-UHFFFAOYSA-N 1 0 377.484 4.615 20 0 GJADRO CCCOc1c(Br)cc(Br)cc1C[NH2+][C@H](C)CC ZINC000020929730 207221343 /nfs/dbraw/zinc/22/13/43/207221343.db2.gz AILKPXSSQXKKFY-SNVBAGLBSA-N 1 0 379.136 4.889 20 0 GJADRO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccc(Br)cc1 ZINC000022194298 207247898 /nfs/dbraw/zinc/24/78/98/207247898.db2.gz NFEDDEFWQNKBOL-UHFFFAOYSA-N 1 0 381.701 4.563 20 0 GJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164423124 718942024 /nfs/dbraw/zinc/94/20/24/718942024.db2.gz FFKRXYLUUGAWLE-PKOBYXMFSA-N 1 0 385.845 4.509 20 0 GJADRO Fc1cc2ncnc(Cl)c2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164628043 719091875 /nfs/dbraw/zinc/09/18/75/719091875.db2.gz LWFLPLLNGRWJOH-UZLBHIALSA-N 1 0 396.897 4.523 20 0 GJADRO Fc1ccc2c(Cl)ncnc2c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624355 719113136 /nfs/dbraw/zinc/11/31/36/719113136.db2.gz FLFMWQQZJFRHCC-VQIMIIECSA-N 1 0 396.897 4.523 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4ccccc4n2)CC3)cs1 ZINC001164691235 719803468 /nfs/dbraw/zinc/80/34/68/719803468.db2.gz GHEQYXKWIQOOSX-UHFFFAOYSA-N 1 0 378.545 4.635 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4ccsc42)CC3)cs1 ZINC001164694429 719806448 /nfs/dbraw/zinc/80/64/48/719806448.db2.gz XNWSGJKCXMWWIO-UHFFFAOYSA-N 1 0 384.574 4.696 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4ccc(F)cc42)CC3)cs1 ZINC001164694529 719809154 /nfs/dbraw/zinc/80/91/54/719809154.db2.gz ZRDKNHLSBUEMST-UHFFFAOYSA-N 1 0 396.535 4.774 20 0 GJADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731065 720366475 /nfs/dbraw/zinc/36/64/75/720366475.db2.gz YTINYZWCOSIUJQ-RBUKOAKNSA-N 1 0 399.325 4.790 20 0 GJADRO Clc1ccc(Cl)c2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ccc12 ZINC001164723672 720473361 /nfs/dbraw/zinc/47/33/61/720473361.db2.gz DBRZKVBMBORQDD-RBUKOAKNSA-N 1 0 399.325 4.790 20 0 GJADRO Cc1nc(Cl)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164844839 720694215 /nfs/dbraw/zinc/69/42/15/720694215.db2.gz VJZGXZAMGKBLGR-HXUWFJFHSA-N 1 0 399.966 4.612 20 0 GJADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccccc31)[C@@H]2C ZINC001164858562 720918970 /nfs/dbraw/zinc/91/89/70/720918970.db2.gz ODRPUOJWPMMZLT-OAHLLOKOSA-N 1 0 383.927 4.506 20 0 GJADRO Cc1ccc2nc(Cl)cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164856984 720946490 /nfs/dbraw/zinc/94/64/90/720946490.db2.gz DPMYWDJGIYQXNN-INIZCTEOSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1ccc2c(c1)nc(Cl)cc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858972 720971507 /nfs/dbraw/zinc/97/15/07/720971507.db2.gz JPPFKTBBUWPZRV-MRXNPFEDSA-N 1 0 397.954 4.815 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3cc(F)ccc3n1)CC2 ZINC001164791996 721493811 /nfs/dbraw/zinc/49/38/11/721493811.db2.gz IVYBGFOQTZZXOF-UHFFFAOYSA-N 1 0 390.506 4.650 20 0 GJADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ccc(F)cc3n1)CC2 ZINC001164795717 721501097 /nfs/dbraw/zinc/50/10/97/721501097.db2.gz KJYYKLDCGHEAGX-UHFFFAOYSA-N 1 0 390.506 4.650 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3Cl)C[C@H]21 ZINC001165020332 721800655 /nfs/dbraw/zinc/80/06/55/721800655.db2.gz FDVVGJKNWKCNLH-POZUXBRTSA-N 1 0 391.346 4.520 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)c4ccccc43)C[C@@H]21 ZINC001165027113 721813664 /nfs/dbraw/zinc/81/36/64/721813664.db2.gz SHKZCJYJOYDKMH-FRGLQRNOSA-N 1 0 390.506 4.506 20 0 GJADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)C1 ZINC001165036076 721897904 /nfs/dbraw/zinc/89/79/04/721897904.db2.gz RLKCGJBQROSCJF-MRXNPFEDSA-N 1 0 383.845 4.616 20 0 GJADRO C[NH+](C)CC1CCN(c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)CC1 ZINC001165041529 721946694 /nfs/dbraw/zinc/94/66/94/721946694.db2.gz BTQNXEWNDBAMJL-UHFFFAOYSA-N 1 0 398.913 4.867 20 0 GJADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165050465 721976988 /nfs/dbraw/zinc/97/69/88/721976988.db2.gz YJDBCYLYZUNGRK-KRWDZBQOSA-N 1 0 388.918 4.781 20 0 GJADRO c1ccc(SCc2nccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)n2)cc1 ZINC001165051123 721978574 /nfs/dbraw/zinc/97/85/74/721978574.db2.gz YIJUDQIKUGJYGX-LJQANCHMSA-N 1 0 382.577 4.614 20 0 GJADRO CC[NH+](CC)C1CCN(c2nc(-c3ccc(C)s3)nc3ccccc32)CC1 ZINC001165054612 722006338 /nfs/dbraw/zinc/00/63/38/722006338.db2.gz TYTMGYKSRLBOFO-UHFFFAOYSA-N 1 0 380.561 4.977 20 0 GJADRO CC[NH+](CC)C1CCN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001165054580 722007057 /nfs/dbraw/zinc/00/70/57/722007057.db2.gz RWTPCXKOIXDVQE-UHFFFAOYSA-N 1 0 397.325 4.900 20 0 GJADRO Cc1sc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164992810 722193556 /nfs/dbraw/zinc/19/35/56/722193556.db2.gz AZDZGAUWVAJDGY-QFIPXVFZSA-N 1 0 396.535 4.692 20 0 GJADRO O=C(Cc1csc2ccc(Cl)cc12)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000029043351 207353269 /nfs/dbraw/zinc/35/32/69/207353269.db2.gz QSOCXHNSWWJEOF-KRWDZBQOSA-N 1 0 376.953 4.574 20 0 GJADRO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(Br)c1OC ZINC000013721208 221284234 /nfs/dbraw/zinc/28/42/34/221284234.db2.gz YOBVDMYXJSEIMI-UHFFFAOYSA-N 1 0 398.728 4.842 20 0 GJADRO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(Br)c1OC ZINC000013726048 221284724 /nfs/dbraw/zinc/28/47/24/221284724.db2.gz IJLCLDYFBHWRPY-OAHLLOKOSA-N 1 0 392.337 4.967 20 0 GJADRO FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164424044 718943412 /nfs/dbraw/zinc/94/34/12/718943412.db2.gz NILVPHBQQGYJSM-WMZOPIPTSA-N 1 0 385.845 4.509 20 0 GJADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624609 719045745 /nfs/dbraw/zinc/04/57/45/719045745.db2.gz OKAQHHACORFXDV-KDOFPFPSSA-N 1 0 398.284 4.517 20 0 GJADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)c(Cl)cc2C)CC3)cs1 ZINC001164691535 719811414 /nfs/dbraw/zinc/81/14/14/719811414.db2.gz GJTMBCLYGBDHTA-UHFFFAOYSA-N 1 0 390.984 4.752 20 0 GJADRO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ccc12 ZINC001164723674 720474158 /nfs/dbraw/zinc/47/41/58/720474158.db2.gz DBRZKVBMBORQDD-RTBURBONSA-N 1 0 399.325 4.790 20 0 GJADRO Cc1ccc2c(c1)cc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858005 720983437 /nfs/dbraw/zinc/98/34/37/720983437.db2.gz GDTMRCFRKFYBOY-INIZCTEOSA-N 1 0 397.954 4.815 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc5ncccc5n4)CC3)CC2)cc1 ZINC001164758903 721044243 /nfs/dbraw/zinc/04/42/43/721044243.db2.gz DJQGWMPPOFFTPN-UHFFFAOYSA-N 1 0 386.543 4.821 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(Cl)nc4C)CC3)CC2)cc1 ZINC001164760573 721044418 /nfs/dbraw/zinc/04/44/18/721044418.db2.gz WNGLUDAIDJQOSI-UHFFFAOYSA-N 1 0 384.955 4.629 20 0 GJADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccnc(C(C)C)n4)CC3)CC2)cc1 ZINC001164759468 721044803 /nfs/dbraw/zinc/04/48/03/721044803.db2.gz MWKPETVUMHXTGV-UHFFFAOYSA-N 1 0 378.564 4.791 20 0 GJADRO Cc1ccc2ccnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164791359 721495325 /nfs/dbraw/zinc/49/53/25/721495325.db2.gz BQUBUNACIZFIAW-UHFFFAOYSA-N 1 0 386.543 4.819 20 0 GJADRO Cc1cccc2ccnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164795953 721502070 /nfs/dbraw/zinc/50/20/70/721502070.db2.gz NUAQMNWMKJVQDC-UHFFFAOYSA-N 1 0 386.543 4.819 20 0 GJADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc(F)c4n3)C[C@@H]21 ZINC001165029027 721820283 /nfs/dbraw/zinc/82/02/83/721820283.db2.gz YQOMFOLMWXTOCD-RCZSKKKRSA-N 1 0 390.506 4.506 20 0 GJADRO c1ccc(C[N@@H+]2CCc3nc(N4CCCC[C@H]4c4cccnc4)ccc3C2)cc1 ZINC001165047583 721962957 /nfs/dbraw/zinc/96/29/57/721962957.db2.gz VLEIWOBLCSAZOV-DEOSSOPVSA-N 1 0 384.527 4.767 20 0 GJADRO c1cc2c(nc(-c3ccncc3)nc2N2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001165050133 721977723 /nfs/dbraw/zinc/97/77/23/721977723.db2.gz UXVIEZNSSWFXPI-GOSISDBHSA-N 1 0 393.560 4.598 20 0 GJADRO Clc1ccc2c(Cl)ncnc2c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049892 721979134 /nfs/dbraw/zinc/97/91/34/721979134.db2.gz NSFBVARVNKDGTG-AWEZNQCLSA-N 1 0 379.335 4.781 20 0 GJADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)nc1 ZINC001165050855 721993782 /nfs/dbraw/zinc/99/37/82/721993782.db2.gz BQOLCSXALSTXRR-WOJBJXKFSA-N 1 0 387.568 4.577 20 0 GJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC(OCC4CC4)C3)CC2)nc1 ZINC001164977969 722172587 /nfs/dbraw/zinc/17/25/87/722172587.db2.gz OPMKNLUHTJDKHB-JOCHJYFZSA-N 1 0 383.580 4.804 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(-c4ccccc4)nn2)C3)c1 ZINC001164995649 722194742 /nfs/dbraw/zinc/19/47/42/722194742.db2.gz WOELTJPQQFYGCW-XMMPIXPASA-N 1 0 388.490 4.528 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4c(Cl)cccc42)C3)c1 ZINC001164995573 722195708 /nfs/dbraw/zinc/19/57/08/722195708.db2.gz VMVNPSSWLAKJNB-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cnc4cc(Cl)ccc4n2)C3)c1 ZINC001164995325 722197160 /nfs/dbraw/zinc/19/71/60/722197160.db2.gz UKKPFQLOKRUCQY-QFIPXVFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cnc4ccc(Cl)cc4n2)C3)c1 ZINC001164993917 722198448 /nfs/dbraw/zinc/19/84/48/722198448.db2.gz JHAHKYXJCRHNNR-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4nccc(Cl)c4n2)C3)c1 ZINC001164995022 722206848 /nfs/dbraw/zinc/20/68/48/722206848.db2.gz KLDVKHPKMJUEQK-JOCHJYFZSA-N 1 0 396.897 4.667 20 0 GJADRO CC(C)c1c(Cl)ncnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998778 722211870 /nfs/dbraw/zinc/21/18/70/722211870.db2.gz XRHWCPHCITUDBT-OAQYLSRUSA-N 1 0 388.918 4.637 20 0 GJADRO COc1c(Br)cc(C[NH2+]C2CCCCC2)cc1Br ZINC000020927079 207221169 /nfs/dbraw/zinc/22/11/69/207221169.db2.gz KUBPQWZYVHMCKI-UHFFFAOYSA-N 1 0 377.120 4.643 20 0 GJADRO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000026978342 207320423 /nfs/dbraw/zinc/32/04/23/207320423.db2.gz VMQXRAQBUYWEOG-UHFFFAOYSA-N 1 0 395.852 4.810 20 0 GJADRO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001164411983 718877508 /nfs/dbraw/zinc/87/75/08/718877508.db2.gz SMDBSRNRSYMGNN-CVEARBPZSA-N 1 0 384.257 4.541 20 0 GJADRO FC(F)(c1cccc2c(Cl)nccc21)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164416587 718892563 /nfs/dbraw/zinc/89/25/63/718892563.db2.gz DJTJZILODMOPHU-SFHVURJKSA-N 1 0 379.882 4.792 20 0 GJADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423122 718941847 /nfs/dbraw/zinc/94/18/47/718941847.db2.gz FFKRXYLUUGAWLE-IEBWSBKVSA-N 1 0 385.845 4.509 20 0 GJADRO Fc1ccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)cnc2Cl)cc1 ZINC001164615550 719037956 /nfs/dbraw/zinc/03/79/56/719037956.db2.gz PARDDQJUFLRIKS-UHFFFAOYSA-N 1 0 395.856 4.522 20 0 GJADRO Clc1cc(-c2ccccc2)cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725846 720380664 /nfs/dbraw/zinc/38/06/64/720380664.db2.gz NTQPYZBWZIHMBM-SFTDATJTSA-N 1 0 390.918 4.650 20 0 GJADRO Cc1ccc(-c2nc3ccccc3c(N3CC4(C3)CC[N@H+](CC3CC3)C4)n2)s1 ZINC001164769818 721300200 /nfs/dbraw/zinc/30/02/00/721300200.db2.gz OAEOUDGCBJFZKF-UHFFFAOYSA-N 1 0 390.556 4.589 20 0 GJADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)nc1 ZINC001164900240 721499474 /nfs/dbraw/zinc/49/94/74/721499474.db2.gz NRNLAUMDAFGFDV-MYDTUXCISA-N 1 0 383.580 4.660 20 0 GJADRO CCc1cc2c(ccnc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)o1 ZINC001164797057 721503546 /nfs/dbraw/zinc/50/35/46/721503546.db2.gz YGVAVOFIIFKAMM-UHFFFAOYSA-N 1 0 390.531 4.666 20 0 GJADRO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804054 721601867 /nfs/dbraw/zinc/60/18/67/721601867.db2.gz WOCCOPVRFYQYFN-OFNKIYASSA-N 1 0 399.966 4.992 20 0 GJADRO F[C@@H](c1ccnc(Cl)c1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015018 721767619 /nfs/dbraw/zinc/76/76/19/721767619.db2.gz LWDOZDICLWJUQT-HXUWFJFHSA-N 1 0 382.826 4.710 20 0 GJADRO Cc1cccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165028919 721827890 /nfs/dbraw/zinc/82/78/90/721827890.db2.gz VXRVTFOCNWAZBX-MDNUFGMLSA-N 1 0 386.543 4.675 20 0 GJADRO C[NH+](C)CC1CCN(c2nc(-c3ccccc3F)nc3ccc(Cl)cc32)CC1 ZINC001165043131 721944128 /nfs/dbraw/zinc/94/41/28/721944128.db2.gz WPURNHDZMWEUON-UHFFFAOYSA-N 1 0 398.913 4.867 20 0 GJADRO Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C2)c1 ZINC001165049895 721979765 /nfs/dbraw/zinc/97/97/65/721979765.db2.gz NTEFNNWWAQUIMT-LJQANCHMSA-N 1 0 385.939 4.685 20 0 GJADRO