smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](CCCNC(=O)c1c2ccccc2nnc1-c1ccccc1)c1ccccc1 ZINC000032953102 521020350 /nfs/dbraw/zinc/02/03/50/521020350.db2.gz QPTAWYOOJXAZQW-UHFFFAOYSA-N 1 2 410.521 4.943 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1c2ccccc2nnc1-c1ccccc1)c1ccccc1 ZINC000032953102 521020357 /nfs/dbraw/zinc/02/03/57/521020357.db2.gz QPTAWYOOJXAZQW-UHFFFAOYSA-N 1 2 410.521 4.943 50 0 HJAALO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000044380311 525937052 /nfs/dbraw/zinc/93/70/52/525937052.db2.gz TYVAIYWTBPGZBY-IERDGZPVSA-N 1 2 409.505 4.530 50 0 HJAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000043931987 526680493 /nfs/dbraw/zinc/68/04/93/526680493.db2.gz IXTCWYHLBNVUPJ-UHFFFAOYSA-N 1 2 413.481 4.812 50 0 HJAALO CC[C@@H](C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022632811 557296997 /nfs/dbraw/zinc/29/69/97/557296997.db2.gz MHEQRTSHOXGDLA-DYESRHJHSA-N 1 2 415.375 4.729 50 0 HJAALO Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=[NH+]3)cc1 ZINC000002247549 557331020 /nfs/dbraw/zinc/33/10/20/557331020.db2.gz GWPOHHYTADEDPK-GOTSBHOMSA-N 1 2 414.415 4.769 50 0 HJAALO Cc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)nc(Oc4cccc(C)c4)c3C2)o1 ZINC000034755947 557458384 /nfs/dbraw/zinc/45/83/84/557458384.db2.gz RMTNQFOMEBVJGQ-UHFFFAOYSA-N 1 2 404.514 4.637 50 0 HJAALO Cc1ccc(C[N@H+]2CCc3nc(N4CCCC4)nc(Oc4cccc(C)c4)c3C2)o1 ZINC000034755947 557458386 /nfs/dbraw/zinc/45/83/86/557458386.db2.gz RMTNQFOMEBVJGQ-UHFFFAOYSA-N 1 2 404.514 4.637 50 0 HJAALO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=[NH+]3)c1 ZINC000002707268 557744194 /nfs/dbraw/zinc/74/41/94/557744194.db2.gz GEVQATVEGQLRGU-FCHUYYIVSA-N 1 2 414.490 4.561 50 0 HJAALO C[N@H+](CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000020454555 558368372 /nfs/dbraw/zinc/36/83/72/558368372.db2.gz VDQKDBYSYFBWHF-UHFFFAOYSA-N 1 2 402.285 4.594 50 0 HJAALO C[N@@H+](CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000020454555 558368375 /nfs/dbraw/zinc/36/83/75/558368375.db2.gz VDQKDBYSYFBWHF-UHFFFAOYSA-N 1 2 402.285 4.594 50 0 HJAALO O=C(c1ccccc1O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020509399 558382006 /nfs/dbraw/zinc/38/20/06/558382006.db2.gz OGAVANMOCWPBFA-QHCPKHFHSA-N 1 2 406.913 4.593 50 0 HJAALO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000072058558 558443437 /nfs/dbraw/zinc/44/34/37/558443437.db2.gz UXDFFQLISYHZSJ-QFIPXVFZSA-N 1 2 400.482 4.733 50 0 HJAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C ZINC000022508026 558492456 /nfs/dbraw/zinc/49/24/56/558492456.db2.gz VUGSELXFXMUTBY-UHFFFAOYSA-N 1 2 421.570 4.694 50 0 HJAALO C[C@H](c1ccon1)[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000013594429 558546610 /nfs/dbraw/zinc/54/66/10/558546610.db2.gz HJPICJMHBDHMLH-QGZVFWFLSA-N 1 2 416.481 4.508 50 0 HJAALO C[C@H](c1ccon1)[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000013594429 558546613 /nfs/dbraw/zinc/54/66/13/558546613.db2.gz HJPICJMHBDHMLH-QGZVFWFLSA-N 1 2 416.481 4.508 50 0 HJAALO COc1ccc(C[NH2+][C@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000023343426 558550842 /nfs/dbraw/zinc/55/08/42/558550842.db2.gz DKUAWFZSGIVDHU-HSZRJFAPSA-N 1 2 406.913 4.836 50 0 HJAALO C[C@@]1(C2CCCCC2)NC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000014241321 558644088 /nfs/dbraw/zinc/64/40/88/558644088.db2.gz WZOZTIZXYCRVAW-URXFXBBRSA-N 1 2 423.582 4.544 50 0 HJAALO C[C@@]1(C2CCCCC2)NC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000014241321 558644092 /nfs/dbraw/zinc/64/40/92/558644092.db2.gz WZOZTIZXYCRVAW-URXFXBBRSA-N 1 2 423.582 4.544 50 0 HJAALO Cc1ccccc1Nc1nc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cs1 ZINC000027118005 558669848 /nfs/dbraw/zinc/66/98/48/558669848.db2.gz NWVLNSNWHBCFBV-YRNVUSSQSA-N 1 2 418.566 4.666 50 0 HJAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000030296794 558728444 /nfs/dbraw/zinc/72/84/44/558728444.db2.gz KUJOQGJZEGJLME-HSZRJFAPSA-N 1 2 403.551 4.832 50 0 HJAALO COc1ccc(C(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)cc1OC ZINC000033019595 558836144 /nfs/dbraw/zinc/83/61/44/558836144.db2.gz DKNWODKDEGSXJL-UHFFFAOYSA-N 1 2 401.466 4.618 50 0 HJAALO C[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Cl)cc1Cl ZINC000004607389 558847672 /nfs/dbraw/zinc/84/76/72/558847672.db2.gz DFMDVBSSKBVNNF-IBGZPJMESA-N 1 2 413.345 4.839 50 0 HJAALO C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Cl)cc1Cl ZINC000004607389 558847674 /nfs/dbraw/zinc/84/76/74/558847674.db2.gz DFMDVBSSKBVNNF-IBGZPJMESA-N 1 2 413.345 4.839 50 0 HJAALO CCOc1cc2[nH]c(=S)n(CCC[N@@H+]3CCCC[C@@H]3CC)c(=O)c2cc1OCC ZINC000004657954 558872220 /nfs/dbraw/zinc/87/22/20/558872220.db2.gz AWACEEJCBSRXQO-INIZCTEOSA-N 1 2 419.591 4.511 50 0 HJAALO CCOc1cc2[nH]c(=S)n(CCC[N@H+]3CCCC[C@@H]3CC)c(=O)c2cc1OCC ZINC000004657954 558872222 /nfs/dbraw/zinc/87/22/22/558872222.db2.gz AWACEEJCBSRXQO-INIZCTEOSA-N 1 2 419.591 4.511 50 0 HJAALO COc1ccc(F)c(C[N@@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c1 ZINC000055107883 558872882 /nfs/dbraw/zinc/87/28/82/558872882.db2.gz AAQQEJNOBFFCKJ-XMMPIXPASA-N 1 2 407.485 4.505 50 0 HJAALO COc1ccc(F)c(C[N@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c1 ZINC000055107883 558872883 /nfs/dbraw/zinc/87/28/83/558872883.db2.gz AAQQEJNOBFFCKJ-XMMPIXPASA-N 1 2 407.485 4.505 50 0 HJAALO Cc1[nH]c2ccc(CC(=O)Nc3ccc(C)c(NC(=O)c4ccc(C)cc4)c3)cc2[nH+]1 ZINC000055413149 558881136 /nfs/dbraw/zinc/88/11/36/558881136.db2.gz CFGGJKKOGZWRGF-UHFFFAOYSA-N 1 2 412.493 4.922 50 0 HJAALO Cc1[nH]c2cc(CC(=O)Nc3ccc(C)c(NC(=O)c4ccc(C)cc4)c3)ccc2[nH+]1 ZINC000055413149 558881138 /nfs/dbraw/zinc/88/11/38/558881138.db2.gz CFGGJKKOGZWRGF-UHFFFAOYSA-N 1 2 412.493 4.922 50 0 HJAALO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000058143674 558901691 /nfs/dbraw/zinc/90/16/91/558901691.db2.gz FSEMFGGOALFGIN-CVEARBPZSA-N 1 2 405.567 4.960 50 0 HJAALO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000058143674 558901692 /nfs/dbraw/zinc/90/16/92/558901692.db2.gz FSEMFGGOALFGIN-CVEARBPZSA-N 1 2 405.567 4.960 50 0 HJAALO COc1ccc(C[N@@H+]2CCc3nc(SCc4ccc(C)c(C)c4)[nH]c(=O)c3C2)cc1 ZINC000033287263 559043915 /nfs/dbraw/zinc/04/39/15/559043915.db2.gz UEUAKCYNXDPCRC-UHFFFAOYSA-N 1 2 421.566 4.658 50 0 HJAALO COc1ccc(C[N@H+]2CCc3nc(SCc4ccc(C)c(C)c4)[nH]c(=O)c3C2)cc1 ZINC000033287263 559043916 /nfs/dbraw/zinc/04/39/16/559043916.db2.gz UEUAKCYNXDPCRC-UHFFFAOYSA-N 1 2 421.566 4.658 50 0 HJAALO COc1cccc(NC(=O)CSc2[nH+]ccc3c2ccn3Cc2ccccc2)c1 ZINC000033298389 559047928 /nfs/dbraw/zinc/04/79/28/559047928.db2.gz WUCGVBYBZMKONN-UHFFFAOYSA-N 1 2 403.507 4.824 50 0 HJAALO Clc1ccc(/N=c2\scc(-c3cccs3)n2CCC[NH+]2CCOCC2)cc1 ZINC000004940152 559212568 /nfs/dbraw/zinc/21/25/68/559212568.db2.gz QPRWAXKWBXBNLY-XDOYNYLZSA-N 1 2 420.003 4.886 50 0 HJAALO CC(C)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000005477880 560594790 /nfs/dbraw/zinc/59/47/90/560594790.db2.gz MOVYXAASYHGYPS-UHFFFAOYSA-N 1 2 403.511 4.670 50 0 HJAALO COc1ccccc1CSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000012136068 560889448 /nfs/dbraw/zinc/88/94/48/560889448.db2.gz CNQULKNAIYOPNI-UHFFFAOYSA-N 1 2 408.571 4.613 50 0 HJAALO C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000047934788 568431553 /nfs/dbraw/zinc/43/15/53/568431553.db2.gz FUKOGRCWYYKDKK-HNNXBMFYSA-N 1 2 402.420 4.511 50 0 HJAALO O=C(Nc1ccccc1SCc1ccsc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000040104272 568617067 /nfs/dbraw/zinc/61/70/67/568617067.db2.gz KAERYNUINRCBCN-UHFFFAOYSA-N 1 2 424.595 4.785 50 0 HJAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1OCC ZINC000021039003 568659792 /nfs/dbraw/zinc/65/97/92/568659792.db2.gz PSHKUEBQRNJJCG-UHFFFAOYSA-N 1 2 422.504 4.715 50 0 HJAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1OCC ZINC000021039003 568659794 /nfs/dbraw/zinc/65/97/94/568659794.db2.gz PSHKUEBQRNJJCG-UHFFFAOYSA-N 1 2 422.504 4.715 50 0 HJAALO C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000095993256 568678052 /nfs/dbraw/zinc/67/80/52/568678052.db2.gz MPJGXYSYXJGQDJ-RDJZCZTQSA-N 1 2 407.464 4.537 50 0 HJAALO Cc1ccc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1Cl ZINC000096024414 568686018 /nfs/dbraw/zinc/68/60/18/568686018.db2.gz NSNJCIWVBNLJQN-UHFFFAOYSA-N 1 2 416.934 4.578 50 0 HJAALO Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)cc1C ZINC000021357083 568688452 /nfs/dbraw/zinc/68/84/52/568688452.db2.gz RPYUEBXJMJISDP-UHFFFAOYSA-N 1 2 419.550 4.776 50 0 HJAALO O=C(/C=C\c1ccc(Br)cc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000096130120 568701853 /nfs/dbraw/zinc/70/18/53/568701853.db2.gz LYISVBLITVBBAC-WQLSENKSSA-N 1 2 414.347 4.554 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc(Cl)c4)C3)no2)cc1 ZINC000021724624 568751393 /nfs/dbraw/zinc/75/13/93/568751393.db2.gz NSGOUFMWCFGLBZ-KRWDZBQOSA-N 1 2 410.905 4.549 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4cccc(Cl)c4)C3)no2)cc1 ZINC000021724624 568751396 /nfs/dbraw/zinc/75/13/96/568751396.db2.gz NSGOUFMWCFGLBZ-KRWDZBQOSA-N 1 2 410.905 4.549 50 0 HJAALO Cc1ccccc1N1CC[NH+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000057322761 568827126 /nfs/dbraw/zinc/82/71/26/568827126.db2.gz QUXVGXUGMCYSRS-INIZCTEOSA-N 1 2 416.447 4.947 50 0 HJAALO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000057373528 568830207 /nfs/dbraw/zinc/83/02/07/568830207.db2.gz NIYASLUHMRZTFJ-SFHVURJKSA-N 1 2 424.957 4.981 50 0 HJAALO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000057373528 568830209 /nfs/dbraw/zinc/83/02/09/568830209.db2.gz NIYASLUHMRZTFJ-SFHVURJKSA-N 1 2 424.957 4.981 50 0 HJAALO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)s1 ZINC000012547401 568851535 /nfs/dbraw/zinc/85/15/35/568851535.db2.gz STKPNBMJCQZHLG-HSZRJFAPSA-N 1 2 416.550 4.609 50 0 HJAALO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000012559745 568857281 /nfs/dbraw/zinc/85/72/81/568857281.db2.gz HXYYVURFGKNUBK-KPZWWZAWSA-N 1 2 422.287 4.539 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000012560176 568857447 /nfs/dbraw/zinc/85/74/47/568857447.db2.gz AYRMAZPOFBJLFM-GOSISDBHSA-N 1 2 408.716 4.829 50 0 HJAALO CCOC(=O)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658689 568866894 /nfs/dbraw/zinc/86/68/94/568866894.db2.gz GTYLKPRDMMEDBM-UHFFFAOYSA-N 1 2 407.470 4.882 50 0 HJAALO C[NH+](C)[C@H](Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)C(=O)c1ccccc1 ZINC000003282636 568871940 /nfs/dbraw/zinc/87/19/40/568871940.db2.gz DVTRUXYSKRGOTE-RCZVLFRGSA-N 1 2 405.469 4.789 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1N1CCCC1 ZINC000012636736 568883905 /nfs/dbraw/zinc/88/39/05/568883905.db2.gz XYANSENSEKTCMF-VWLOTQADSA-N 1 2 417.578 4.935 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1N1CCCC1 ZINC000012636736 568883906 /nfs/dbraw/zinc/88/39/06/568883906.db2.gz XYANSENSEKTCMF-VWLOTQADSA-N 1 2 417.578 4.935 50 0 HJAALO COc1ccc(C)cc1C[N@H+](C)[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012739415 568926637 /nfs/dbraw/zinc/92/66/37/568926637.db2.gz GHYRWDGHHBDJPX-CQSZACIVSA-N 1 2 409.511 4.755 50 0 HJAALO COc1ccc(C)cc1C[N@@H+](C)[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012739415 568926638 /nfs/dbraw/zinc/92/66/38/568926638.db2.gz GHYRWDGHHBDJPX-CQSZACIVSA-N 1 2 409.511 4.755 50 0 HJAALO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c1 ZINC000084325151 568946183 /nfs/dbraw/zinc/94/61/83/568946183.db2.gz GYRIJQKYQHLPEZ-UHFFFAOYSA-N 1 2 401.470 4.687 50 0 HJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)c(OC)c1 ZINC000012773062 568952585 /nfs/dbraw/zinc/95/25/85/568952585.db2.gz TUDCCDQDTSKGTK-FQEVSTJZSA-N 1 2 424.570 4.738 50 0 HJAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)c(OC)c1 ZINC000012773062 568952586 /nfs/dbraw/zinc/95/25/86/568952586.db2.gz TUDCCDQDTSKGTK-FQEVSTJZSA-N 1 2 424.570 4.738 50 0 HJAALO COc1ccc(C(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1OC ZINC000015863682 569016276 /nfs/dbraw/zinc/01/62/76/569016276.db2.gz YVPYVTNYSFIIGZ-UHFFFAOYSA-N 1 2 415.493 4.628 50 0 HJAALO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)c1 ZINC000015870526 569017246 /nfs/dbraw/zinc/01/72/46/569017246.db2.gz UETQKTGNJMRAOS-UHFFFAOYSA-N 1 2 419.550 4.776 50 0 HJAALO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c1 ZINC000015870638 569017371 /nfs/dbraw/zinc/01/73/71/569017371.db2.gz DQNKBGOGUYCCDF-UHFFFAOYSA-N 1 2 419.550 4.776 50 0 HJAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)[nH+]1 ZINC000035598072 569045896 /nfs/dbraw/zinc/04/58/96/569045896.db2.gz SBBQIXSZQRQPKG-UHFFFAOYSA-N 1 2 404.861 4.620 50 0 HJAALO Cc1cc(N2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3=O)[nH+]c2ccccc12 ZINC000426395157 569072700 /nfs/dbraw/zinc/07/27/00/569072700.db2.gz JBMQFFAJNVILHO-VWLOTQADSA-N 1 2 403.501 4.701 50 0 HJAALO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073425 569086371 /nfs/dbraw/zinc/08/63/71/569086371.db2.gz QHBXSKBFSGOIAO-LJQANCHMSA-N 1 2 403.526 4.947 50 0 HJAALO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073425 569086372 /nfs/dbraw/zinc/08/63/72/569086372.db2.gz QHBXSKBFSGOIAO-LJQANCHMSA-N 1 2 403.526 4.947 50 0 HJAALO Cc1ccccc1C[N@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccccc1 ZINC000036082887 569087494 /nfs/dbraw/zinc/08/74/94/569087494.db2.gz UNCORDJQAGVQQS-UHFFFAOYSA-N 1 2 415.493 4.708 50 0 HJAALO Cc1ccccc1C[N@@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccccc1 ZINC000036082887 569087495 /nfs/dbraw/zinc/08/74/95/569087495.db2.gz UNCORDJQAGVQQS-UHFFFAOYSA-N 1 2 415.493 4.708 50 0 HJAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000007973241 569100073 /nfs/dbraw/zinc/10/00/73/569100073.db2.gz BKAHNKCSLFLWOU-UHFFFAOYSA-N 1 2 406.482 4.567 50 0 HJAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000007973241 569100075 /nfs/dbraw/zinc/10/00/75/569100075.db2.gz BKAHNKCSLFLWOU-UHFFFAOYSA-N 1 2 406.482 4.567 50 0 HJAALO O=C(c1ccco1)N(Cc1[nH+]ccn1Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000006723876 569100497 /nfs/dbraw/zinc/10/04/97/569100497.db2.gz LTEPFJXQMJUZSD-UHFFFAOYSA-N 1 2 403.404 4.596 50 0 HJAALO CCNC(=O)c1ccc(CSc2nc(N(C)Cc3ccccc3)cc(CC)[nH+]2)cc1 ZINC000006802060 569129637 /nfs/dbraw/zinc/12/96/37/569129637.db2.gz QUZASOGZPOCJPL-UHFFFAOYSA-N 1 2 420.582 4.717 50 0 HJAALO CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2C)nnc1-c1ccccc1OC ZINC000170612999 569246689 /nfs/dbraw/zinc/24/66/89/569246689.db2.gz XWYVHTXZRPUEHO-UHFFFAOYSA-N 1 2 405.527 4.760 50 0 HJAALO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000013321210 569254921 /nfs/dbraw/zinc/25/49/21/569254921.db2.gz COMCMSUFENYBLB-UHFFFAOYSA-N 1 2 415.818 4.848 50 0 HJAALO COc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1 ZINC000014326657 569259424 /nfs/dbraw/zinc/25/94/24/569259424.db2.gz CTDOVBJVUKKYGN-UHFFFAOYSA-N 1 2 419.525 4.964 50 0 HJAALO FC(F)(F)c1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c2ccccc2n1 ZINC000089866638 569267424 /nfs/dbraw/zinc/26/74/24/569267424.db2.gz QFSKODCWAFORPE-KRWDZBQOSA-N 1 2 407.461 4.801 50 0 HJAALO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252512415 569291954 /nfs/dbraw/zinc/29/19/54/569291954.db2.gz QHVAINGMAZCHAH-SJLPKXTDSA-N 1 2 424.715 4.787 50 0 HJAALO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252512415 569291955 /nfs/dbraw/zinc/29/19/55/569291955.db2.gz QHVAINGMAZCHAH-SJLPKXTDSA-N 1 2 424.715 4.787 50 0 HJAALO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000007684665 569300663 /nfs/dbraw/zinc/30/06/63/569300663.db2.gz JYMWFRDRGNBUEL-FXAWDEMLSA-N 1 2 420.509 4.608 50 0 HJAALO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000007684665 569300664 /nfs/dbraw/zinc/30/06/64/569300664.db2.gz JYMWFRDRGNBUEL-FXAWDEMLSA-N 1 2 420.509 4.608 50 0 HJAALO COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2-c1ccccc1 ZINC000007737634 569304849 /nfs/dbraw/zinc/30/48/49/569304849.db2.gz REJOQJUJMXZQJA-UHFFFAOYSA-N 1 2 413.477 4.726 50 0 HJAALO COc1cc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F ZINC000007781812 569310094 /nfs/dbraw/zinc/31/00/94/569310094.db2.gz UJXTYXTURLPXFR-AWEZNQCLSA-N 1 2 403.429 4.848 50 0 HJAALO COc1cc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F ZINC000007781812 569310095 /nfs/dbraw/zinc/31/00/95/569310095.db2.gz UJXTYXTURLPXFR-AWEZNQCLSA-N 1 2 403.429 4.848 50 0 HJAALO C[N@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1cccs1 ZINC000007846791 569314401 /nfs/dbraw/zinc/31/44/01/569314401.db2.gz VQYFEWNTHFGACO-LJQANCHMSA-N 1 2 413.930 4.804 50 0 HJAALO C[N@@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1cccs1 ZINC000007846791 569314402 /nfs/dbraw/zinc/31/44/02/569314402.db2.gz VQYFEWNTHFGACO-LJQANCHMSA-N 1 2 413.930 4.804 50 0 HJAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c(C)c1 ZINC000008602217 571090879 /nfs/dbraw/zinc/09/08/79/571090879.db2.gz SDIODVYZNLZJTA-UHFFFAOYSA-N 1 2 413.543 4.914 50 0 aggregator HJAALO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000008945400 571171786 /nfs/dbraw/zinc/17/17/86/571171786.db2.gz FGPDDIWAAFFVAS-UHFFFAOYSA-N 1 2 412.493 4.735 50 0 HJAALO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000008945400 571171787 /nfs/dbraw/zinc/17/17/87/571171787.db2.gz FGPDDIWAAFFVAS-UHFFFAOYSA-N 1 2 412.493 4.735 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000040131753 571184295 /nfs/dbraw/zinc/18/42/95/571184295.db2.gz RLPLPIILSFQCKX-LJQANCHMSA-N 1 2 422.287 4.541 50 0 HJAALO Cc1cccn2cc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)[nH+]c12 ZINC000009156901 571231912 /nfs/dbraw/zinc/23/19/12/571231912.db2.gz SUQSTLFNOBOOPP-UHFFFAOYSA-N 1 2 401.495 4.835 50 0 HJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)[nH+]1 ZINC000009573341 571269240 /nfs/dbraw/zinc/26/92/40/571269240.db2.gz HJYKBRIKCZGQLS-GOSISDBHSA-N 1 2 417.513 4.535 50 0 HJAALO Cc1cccc(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)c(C(C)C)c(C)[nH+]2)c1 ZINC000006704153 132313271 /nfs/dbraw/zinc/31/32/71/132313271.db2.gz GRZJFWWQAZGRRM-UHFFFAOYSA-N 1 2 406.574 4.723 50 0 HJAALO CC[C@H]1c2ccsc2CC[N@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000032784166 523451167 /nfs/dbraw/zinc/45/11/67/523451167.db2.gz GQLQRMILJAIZBK-YSJWXEPDSA-N 1 2 403.592 4.542 50 0 HJAALO CC[C@H]1c2ccsc2CC[N@@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000032784166 523451171 /nfs/dbraw/zinc/45/11/71/523451171.db2.gz GQLQRMILJAIZBK-YSJWXEPDSA-N 1 2 403.592 4.542 50 0 HJAALO Cc1cccc(-c2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(C)c(C)[nH+]2)c1 ZINC000040385536 524118288 /nfs/dbraw/zinc/11/82/88/524118288.db2.gz SJEUEYXEICNTTL-UHFFFAOYSA-N 1 2 420.944 4.685 50 0 HJAALO CC(C)(C)c1cc(C(=O)Cn2c3ccccc3[nH+]c2NCCO)cc(C(C)(C)C)c1O ZINC000002901590 557424647 /nfs/dbraw/zinc/42/46/47/557424647.db2.gz XTYRFUQJDWXAMP-UHFFFAOYSA-N 1 2 423.557 4.624 50 0 HJAALO c1csc(C[N@@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755684 557458334 /nfs/dbraw/zinc/45/83/34/557458334.db2.gz UYSULSFITDRDIV-UHFFFAOYSA-N 1 2 406.555 4.879 50 0 HJAALO c1csc(C[N@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755684 557458338 /nfs/dbraw/zinc/45/83/38/557458338.db2.gz UYSULSFITDRDIV-UHFFFAOYSA-N 1 2 406.555 4.879 50 0 HJAALO O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1 ZINC000034906714 557474042 /nfs/dbraw/zinc/47/40/42/557474042.db2.gz PYANNWXWZNIPTH-LJQANCHMSA-N 1 2 420.532 4.823 50 0 HJAALO COc1cc(-c2[nH+]c3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)ccc1O ZINC000004733656 557588796 /nfs/dbraw/zinc/58/87/96/557588796.db2.gz ITOJSSZNFNNLGQ-UHFFFAOYSA-N 1 2 403.438 4.539 50 0 HJAALO Cc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1F)N1NC=NC1=[NH+]2 ZINC000006504838 557705978 /nfs/dbraw/zinc/70/59/78/557705978.db2.gz YYDSFJWQMQLFEM-RPWUZVMVSA-N 1 2 410.452 4.938 50 0 HJAALO CCOc1cccc2sc(N(CCCn3cc[nH+]c3)C(=O)c3ccc(F)cc3)nc21 ZINC000010580770 557708210 /nfs/dbraw/zinc/70/82/10/557708210.db2.gz YQFSUQUBLHFSAB-UHFFFAOYSA-N 1 2 424.501 4.768 50 0 HJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000008746628 557805266 /nfs/dbraw/zinc/80/52/66/557805266.db2.gz SMOPSNBJTQYGDF-NRFANRHFSA-N 1 2 424.426 4.823 50 0 HJAALO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cccc3ccccc32)cc1 ZINC000013692588 558573952 /nfs/dbraw/zinc/57/39/52/558573952.db2.gz XHIKBNSBKQWBMC-UHFFFAOYSA-N 1 2 419.594 4.679 50 0 HJAALO C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000023873048 558578975 /nfs/dbraw/zinc/57/89/75/558578975.db2.gz VNGUSSDYXGOPJD-CJFMBICVSA-N 1 2 400.522 4.545 50 0 HJAALO O=C(COc1ccccc1-c1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000014067409 558616791 /nfs/dbraw/zinc/61/67/91/558616791.db2.gz MEIBURKZOIPRDF-UHFFFAOYSA-N 1 2 407.539 4.814 50 0 HJAALO C[C@@H]1CCC[N@H+](Cn2nc(CSc3nc4ccccc4s3)n(C)c2=S)C1 ZINC000014200360 558636123 /nfs/dbraw/zinc/63/61/23/558636123.db2.gz ZXYLBYFJILHUCV-CYBMUJFWSA-N 1 2 405.618 4.542 50 0 HJAALO C[C@@H]1CCC[N@@H+](Cn2nc(CSc3nc4ccccc4s3)n(C)c2=S)C1 ZINC000014200360 558636127 /nfs/dbraw/zinc/63/61/27/558636127.db2.gz ZXYLBYFJILHUCV-CYBMUJFWSA-N 1 2 405.618 4.542 50 0 HJAALO Cc1c2cc(Br)ccc2oc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000025666021 558646913 /nfs/dbraw/zinc/64/69/13/558646913.db2.gz BUXYGKZMHVLYKK-UHFFFAOYSA-N 1 2 424.298 4.679 50 0 HJAALO Fc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=[NH+]3)c1 ZINC000025783675 558650169 /nfs/dbraw/zinc/65/01/69/558650169.db2.gz LOMYIKGLNOYMGK-PKTZIBPZSA-N 1 2 414.415 4.769 50 0 HJAALO CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000028290613 558697002 /nfs/dbraw/zinc/69/70/02/558697002.db2.gz QHFPBPOKUGRHPK-RUZDIDTESA-N 1 2 424.585 4.502 50 0 HJAALO COC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)[nH+]c3ccc(Cl)cn32)c1 ZINC000015414421 558739006 /nfs/dbraw/zinc/73/90/06/558739006.db2.gz KCVZRVYPEFOUFU-UHFFFAOYSA-N 1 2 423.856 4.899 50 0 HJAALO Cc1cc(Cl)ccc1Oc1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035253758 558789231 /nfs/dbraw/zinc/78/92/31/558789231.db2.gz ZSSABHZIBVKWFO-UHFFFAOYSA-N 1 2 421.928 4.794 50 0 HJAALO Cc1cc2[nH+]c(Cc3ccccc3Cl)n(CC(=O)NCc3ccncc3)c2cc1C ZINC000037398306 558804974 /nfs/dbraw/zinc/80/49/74/558804974.db2.gz XZALPOHRRFEJAF-UHFFFAOYSA-N 1 2 418.928 4.609 50 0 HJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)[nH+]1 ZINC000017013130 558811610 /nfs/dbraw/zinc/81/16/10/558811610.db2.gz QCGYLRBIFXGWIG-UHFFFAOYSA-N 1 2 406.465 4.912 50 0 HJAALO FC(F)(F)c1cccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000055514929 558881804 /nfs/dbraw/zinc/88/18/04/558881804.db2.gz AWVDENVPPJPINI-VMPITWQZSA-N 1 2 405.489 4.733 50 0 HJAALO Fc1cccc(Cl)c1C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000058160789 558905309 /nfs/dbraw/zinc/90/53/09/558905309.db2.gz YUCMYSONUMTFOQ-UHFFFAOYSA-N 1 2 424.829 4.763 50 0 HJAALO Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)[nH+]3)cc2)c1 ZINC000072442140 558982190 /nfs/dbraw/zinc/98/21/90/558982190.db2.gz AAZJHIKFXNXTFJ-UHFFFAOYSA-N 1 2 413.485 4.975 50 0 HJAALO Cc1ccn2c(c1)[nH+]c(-c1ccc(N(C)C)cc1)c2Nc1ccc2c(c1)OCCO2 ZINC000004733612 559033637 /nfs/dbraw/zinc/03/36/37/559033637.db2.gz PMEHIBZYJRGLIQ-UHFFFAOYSA-N 1 2 400.482 4.891 50 0 HJAALO CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CC)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000004787049 559064099 /nfs/dbraw/zinc/06/40/99/559064099.db2.gz WHEIVRRSGSTEQW-JOCHJYFZSA-N 1 2 404.514 4.592 50 0 HJAALO O=C(Cc1cccs1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320272 559125792 /nfs/dbraw/zinc/12/57/92/559125792.db2.gz GITMDMGLPYUFFJ-QHCPKHFHSA-N 1 2 410.970 4.878 50 0 HJAALO COc1cc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O ZINC000100617123 559136932 /nfs/dbraw/zinc/13/69/32/559136932.db2.gz MONKOCZVNAKXRD-UHFFFAOYSA-N 1 2 403.438 4.539 50 0 HJAALO COc1ccc(Nc2c(-c3cc(OC)c(OC)c(OC)c3)[nH+]c3ccccn32)cc1 ZINC000033431716 559192314 /nfs/dbraw/zinc/19/23/14/559192314.db2.gz IJTUGLCWKVKZBJ-UHFFFAOYSA-N 1 2 405.454 4.779 50 0 HJAALO C[C@@H](c1nnc(SCCOc2ccc(F)cc2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000005280895 560562508 /nfs/dbraw/zinc/56/25/08/560562508.db2.gz OJSBZTRWZUPNAR-AWEZNQCLSA-N 1 2 420.941 4.854 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000005429399 560586516 /nfs/dbraw/zinc/58/65/16/560586516.db2.gz IHDHYXCRCHQEJB-GFCCVEGCSA-N 1 2 409.313 4.568 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000005429399 560586517 /nfs/dbraw/zinc/58/65/17/560586517.db2.gz IHDHYXCRCHQEJB-GFCCVEGCSA-N 1 2 409.313 4.568 50 0 HJAALO CCC[N@H+](CC(=O)Nc1cccc(C)c1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000002650968 560587011 /nfs/dbraw/zinc/58/70/11/560587011.db2.gz VPBDAXJEDORGLJ-UHFFFAOYSA-N 1 2 408.329 4.591 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1cccc(C)c1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000002650968 560587013 /nfs/dbraw/zinc/58/70/13/560587013.db2.gz VPBDAXJEDORGLJ-UHFFFAOYSA-N 1 2 408.329 4.591 50 0 HJAALO Brc1cccc(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)c1 ZINC000005478732 560595458 /nfs/dbraw/zinc/59/54/58/560595458.db2.gz MEGPKSRJQHWZOY-UHFFFAOYSA-N 1 2 411.328 4.929 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000005518159 560604701 /nfs/dbraw/zinc/60/47/01/560604701.db2.gz BRXAGNHYTMPTIN-UHFFFAOYSA-N 1 2 417.538 4.780 50 0 HJAALO C[N@H+]1CC(=Cc2ccccc2Cl)C2=NC(=S)N[C@@H](c3ccccc3Cl)C2C1 ZINC000018144559 560779821 /nfs/dbraw/zinc/77/98/21/560779821.db2.gz LRZWOWVKVTUTOT-HKFHZZIHSA-N 1 2 416.377 4.795 50 0 HJAALO C[N@@H+]1CC(=Cc2ccccc2Cl)C2=NC(=S)N[C@@H](c3ccccc3Cl)C2C1 ZINC000018144559 560779822 /nfs/dbraw/zinc/77/98/22/560779822.db2.gz LRZWOWVKVTUTOT-HKFHZZIHSA-N 1 2 416.377 4.795 50 0 HJAALO Cc1c([C@@H](Nc2cccc[nH+]2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000018324635 560825825 /nfs/dbraw/zinc/82/58/25/560825825.db2.gz HRSQQSTVOBXDHC-QFIPXVFZSA-N 1 2 404.901 4.734 50 0 HJAALO COc1ccc(-c2nc(C[N@H+](C)Cc3cc(Br)ccc3OC)co2)cc1 ZINC000036694721 560883587 /nfs/dbraw/zinc/88/35/87/560883587.db2.gz IUGYHYSRMYDDAH-UHFFFAOYSA-N 1 2 417.303 4.753 50 0 HJAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3cc(Br)ccc3OC)co2)cc1 ZINC000036694721 560883589 /nfs/dbraw/zinc/88/35/89/560883589.db2.gz IUGYHYSRMYDDAH-UHFFFAOYSA-N 1 2 417.303 4.753 50 0 HJAALO COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)[NH+]2CCC(C)CC2)c1 ZINC000022852438 568415630 /nfs/dbraw/zinc/41/56/30/568415630.db2.gz BOIDSQFTZDIFON-SFHVURJKSA-N 1 2 424.526 4.586 50 0 HJAALO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cc(Cl)ccc4C)CC3)n2)cc1 ZINC000049403307 568448228 /nfs/dbraw/zinc/44/82/28/568448228.db2.gz QMCIJCKQKACPFE-UHFFFAOYSA-N 1 2 424.932 4.825 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000007717484 568484317 /nfs/dbraw/zinc/48/43/17/568484317.db2.gz HRIPNLZUCXNNJR-QGZVFWFLSA-N 1 2 409.313 4.786 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000007717484 568484319 /nfs/dbraw/zinc/48/43/19/568484319.db2.gz HRIPNLZUCXNNJR-QGZVFWFLSA-N 1 2 409.313 4.786 50 0 HJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3cc(Br)cs3)CC2)c1 ZINC000055543561 568489028 /nfs/dbraw/zinc/48/90/28/568489028.db2.gz PTDSLTSUPPHGSJ-UHFFFAOYSA-N 1 2 405.283 4.852 50 0 HJAALO COc1c2c(cc3c1[C@@H](CC(=O)c1cc(Cl)ccc1Cl)[N@H+](C)CC3)OCO2 ZINC000020113077 568589059 /nfs/dbraw/zinc/58/90/59/568589059.db2.gz DPAXTWIRFDWEOO-OAHLLOKOSA-N 1 2 408.281 4.533 50 0 biogenic HJAALO COc1c2c(cc3c1[C@@H](CC(=O)c1cc(Cl)ccc1Cl)[N@@H+](C)CC3)OCO2 ZINC000020113077 568589063 /nfs/dbraw/zinc/58/90/63/568589063.db2.gz DPAXTWIRFDWEOO-OAHLLOKOSA-N 1 2 408.281 4.533 50 0 biogenic HJAALO CC[C@@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2C)CC1 ZINC000021160084 568674527 /nfs/dbraw/zinc/67/45/27/568674527.db2.gz ZOVYJNHPSVVACA-LJQANCHMSA-N 1 2 404.558 4.524 50 0 HJAALO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(CCc2[nH+]c3ccccc3n2C)c1 ZINC000021357345 568688277 /nfs/dbraw/zinc/68/82/77/568688277.db2.gz CNTXBPGRQGALFZ-UHFFFAOYSA-N 1 2 423.513 4.607 50 0 HJAALO CCOc1ccc(S(=O)(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000021357267 568688349 /nfs/dbraw/zinc/68/83/49/568688349.db2.gz NBEYGIUJMYNJBP-UHFFFAOYSA-N 1 2 421.522 4.548 50 0 HJAALO CCc1ccccc1S(=O)(=O)Nc1ccccc1CCc1[nH+]c2ccccc2n1C ZINC000021357195 568688398 /nfs/dbraw/zinc/68/83/98/568688398.db2.gz IZSGEOHAUFJJHC-UHFFFAOYSA-N 1 2 419.550 4.722 50 0 HJAALO Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1CCc1[nH+]c2ccccc2n1C ZINC000021357143 568688421 /nfs/dbraw/zinc/68/84/21/568688421.db2.gz GLWCTRSUGZHQIY-UHFFFAOYSA-N 1 2 423.513 4.607 50 0 HJAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000021659292 568735209 /nfs/dbraw/zinc/73/52/09/568735209.db2.gz SRSANVRQZDCRKM-UHFFFAOYSA-N 1 2 420.516 4.807 50 0 HJAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000021659292 568735210 /nfs/dbraw/zinc/73/52/10/568735210.db2.gz SRSANVRQZDCRKM-UHFFFAOYSA-N 1 2 420.516 4.807 50 0 HJAALO CCCc1[nH]c2ccc(CCC(=O)Nc3ccc(Br)c(F)c3)cc2[nH+]1 ZINC000096332879 568736380 /nfs/dbraw/zinc/73/63/80/568736380.db2.gz ALJSYPPJMUUJQF-UHFFFAOYSA-N 1 2 404.283 4.988 50 0 HJAALO CCCc1[nH]c2cc(CCC(=O)Nc3ccc(Br)c(F)c3)ccc2[nH+]1 ZINC000096332879 568736383 /nfs/dbraw/zinc/73/63/83/568736383.db2.gz ALJSYPPJMUUJQF-UHFFFAOYSA-N 1 2 404.283 4.988 50 0 HJAALO CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(Cl)s1 ZINC000018936048 568742923 /nfs/dbraw/zinc/74/29/23/568742923.db2.gz LDQOHMOEPSROTK-UHFFFAOYSA-N 1 2 402.951 4.665 50 0 HJAALO CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(Cl)s1 ZINC000018936048 568742925 /nfs/dbraw/zinc/74/29/25/568742925.db2.gz LDQOHMOEPSROTK-UHFFFAOYSA-N 1 2 402.951 4.665 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4Cl)C3)no2)cc1 ZINC000021724774 568751187 /nfs/dbraw/zinc/75/11/87/568751187.db2.gz WWMHXMZEEXCUOT-SFHVURJKSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4Cl)C3)no2)cc1 ZINC000021724774 568751188 /nfs/dbraw/zinc/75/11/88/568751188.db2.gz WWMHXMZEEXCUOT-SFHVURJKSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)no2)cc1 ZINC000021724632 568751223 /nfs/dbraw/zinc/75/12/23/568751223.db2.gz BHFXOYMMYKYMLV-FQEVSTJZSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)no2)cc1 ZINC000021724632 568751224 /nfs/dbraw/zinc/75/12/24/568751224.db2.gz BHFXOYMMYKYMLV-FQEVSTJZSA-N 1 2 404.514 4.513 50 0 HJAALO COc1ccc(N(Cc2cccs2)C(=O)CSc2[nH+]cc3ccccn32)cc1 ZINC000012529418 568844049 /nfs/dbraw/zinc/84/40/49/568844049.db2.gz UZEAQCFWAZZZJN-UHFFFAOYSA-N 1 2 409.536 4.730 50 0 HJAALO COc1ccc([C@H](NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c2[nH+]ccn2C)cc1 ZINC000012547729 568851131 /nfs/dbraw/zinc/85/11/31/568851131.db2.gz IEXZRDGHJZSDEB-SFTDATJTSA-N 1 2 411.933 4.728 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1N1CCCC1 ZINC000012563439 568859380 /nfs/dbraw/zinc/85/93/80/568859380.db2.gz LZAYMZPVJLODKS-QHCPKHFHSA-N 1 2 423.607 4.996 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1N1CCCC1 ZINC000012563439 568859382 /nfs/dbraw/zinc/85/93/82/568859382.db2.gz LZAYMZPVJLODKS-QHCPKHFHSA-N 1 2 423.607 4.996 50 0 HJAALO Cc1ccc2c(CSc3[nH+]cnc4c3cnn4-c3ccccc3)cc(=O)oc2c1 ZINC000003518338 568911838 /nfs/dbraw/zinc/91/18/38/568911838.db2.gz GKYMYIIBPNCIKB-UHFFFAOYSA-N 1 2 400.463 4.523 50 0 HJAALO CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](CCO)Cc2ccccc2)cc1 ZINC000003614220 568920172 /nfs/dbraw/zinc/92/01/72/568920172.db2.gz WDBPHARKEUFSRI-VWLOTQADSA-N 1 2 402.538 4.984 50 0 HJAALO CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000003614220 568920174 /nfs/dbraw/zinc/92/01/74/568920174.db2.gz WDBPHARKEUFSRI-VWLOTQADSA-N 1 2 402.538 4.984 50 0 HJAALO COc1cc(-c2[nH+]c3ccccn3c2Nc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000001414414 568933508 /nfs/dbraw/zinc/93/35/08/568933508.db2.gz VEFCOMJWMITIST-UHFFFAOYSA-N 1 2 418.497 4.837 50 0 HJAALO CCc1[nH+]c(SCc2ccoc2C(=O)OC)nc(N)c1-c1ccc(Cl)cc1 ZINC000012753952 568942084 /nfs/dbraw/zinc/94/20/84/568942084.db2.gz UHAHEBGBNWOCGI-UHFFFAOYSA-N 1 2 403.891 4.614 50 0 HJAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012767802 568949602 /nfs/dbraw/zinc/94/96/02/568949602.db2.gz XHWLQSDUJINAHZ-JOCHJYFZSA-N 1 2 412.942 4.996 50 0 HJAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012767802 568949605 /nfs/dbraw/zinc/94/96/05/568949605.db2.gz XHWLQSDUJINAHZ-JOCHJYFZSA-N 1 2 412.942 4.996 50 0 HJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C)n(Cc3ccccc3)c2=S)c(OC)c1 ZINC000008151261 568977467 /nfs/dbraw/zinc/97/74/67/568977467.db2.gz BNVVEVWIQWOYLW-NRFANRHFSA-N 1 2 424.570 4.583 50 0 HJAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C)n(Cc3ccccc3)c2=S)c(OC)c1 ZINC000008151261 568977468 /nfs/dbraw/zinc/97/74/68/568977468.db2.gz BNVVEVWIQWOYLW-NRFANRHFSA-N 1 2 424.570 4.583 50 0 HJAALO C[C@@H](c1nnc(SCCOc2cccc(Cl)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000008192806 568981616 /nfs/dbraw/zinc/98/16/16/568981616.db2.gz OXGBVWKQDVGPGQ-AWEZNQCLSA-N 1 2 420.941 4.854 50 0 HJAALO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(Sc3nnc(C4CC4)o3)c2c1C ZINC000008198747 568982257 /nfs/dbraw/zinc/98/22/57/568982257.db2.gz GWXYENPPVOFJCD-UHFFFAOYSA-N 1 2 415.588 4.952 50 0 HJAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000008203344 568982570 /nfs/dbraw/zinc/98/25/70/568982570.db2.gz FDJWKSWBEAKIGV-UHFFFAOYSA-N 1 2 415.537 4.935 50 0 HJAALO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000008203344 568982571 /nfs/dbraw/zinc/98/25/71/568982571.db2.gz FDJWKSWBEAKIGV-UHFFFAOYSA-N 1 2 415.537 4.935 50 0 HJAALO CCC[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008242417 568984905 /nfs/dbraw/zinc/98/49/05/568984905.db2.gz LPMOGBWGDLAORI-INIZCTEOSA-N 1 2 404.470 4.722 50 0 HJAALO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008242417 568984907 /nfs/dbraw/zinc/98/49/07/568984907.db2.gz LPMOGBWGDLAORI-INIZCTEOSA-N 1 2 404.470 4.722 50 0 HJAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000008310334 568988501 /nfs/dbraw/zinc/98/85/01/568988501.db2.gz QBLGLAHFWSZKOP-LJQANCHMSA-N 1 2 400.906 4.585 50 0 HJAALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000008310334 568988502 /nfs/dbraw/zinc/98/85/02/568988502.db2.gz QBLGLAHFWSZKOP-LJQANCHMSA-N 1 2 400.906 4.585 50 0 HJAALO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000008428660 569002426 /nfs/dbraw/zinc/00/24/26/569002426.db2.gz WZDZSOHQGIEMCS-UHFFFAOYSA-N 1 2 406.935 4.670 50 0 HJAALO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000012864317 569012011 /nfs/dbraw/zinc/01/20/11/569012011.db2.gz QKBSJSQCEPIPBU-UHFFFAOYSA-N 1 2 401.919 4.787 50 0 HJAALO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000012864317 569012012 /nfs/dbraw/zinc/01/20/12/569012012.db2.gz QKBSJSQCEPIPBU-UHFFFAOYSA-N 1 2 401.919 4.787 50 0 HJAALO CCOC(=O)c1ccc(Oc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cc1 ZINC000012873815 569013490 /nfs/dbraw/zinc/01/34/90/569013490.db2.gz KKHRMYBLVDYGAF-UHFFFAOYSA-N 1 2 411.527 4.873 50 0 HJAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)ccc3Br)n2)C1 ZINC000012916377 569022297 /nfs/dbraw/zinc/02/22/97/569022297.db2.gz YTQFVYISIOGDAE-LLVKDONJSA-N 1 2 412.328 4.529 50 0 HJAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)ccc3Br)n2)C1 ZINC000012916377 569022298 /nfs/dbraw/zinc/02/22/98/569022298.db2.gz YTQFVYISIOGDAE-LLVKDONJSA-N 1 2 412.328 4.529 50 0 HJAALO O=C(C[N@@H+]1CCc2ccccc2C1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000035388466 569034603 /nfs/dbraw/zinc/03/46/03/569034603.db2.gz UROPOCGIADZSER-UHFFFAOYSA-N 1 2 417.578 4.613 50 0 HJAALO O=C(C[N@H+]1CCc2ccccc2C1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000035388466 569034604 /nfs/dbraw/zinc/03/46/04/569034604.db2.gz UROPOCGIADZSER-UHFFFAOYSA-N 1 2 417.578 4.613 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccc(C)cc4C)CC3)cn2)cc1 ZINC000035403931 569035545 /nfs/dbraw/zinc/03/55/45/569035545.db2.gz FPWFJKTZHIYIEQ-UHFFFAOYSA-N 1 2 400.526 4.525 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccc(C)cc4C)CC3)cn2)cc1 ZINC000035403931 569035546 /nfs/dbraw/zinc/03/55/46/569035546.db2.gz FPWFJKTZHIYIEQ-UHFFFAOYSA-N 1 2 400.526 4.525 50 0 HJAALO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600912 569046182 /nfs/dbraw/zinc/04/61/82/569046182.db2.gz UTSWMUVKQRJNRT-WMZOPIPTSA-N 1 2 406.448 4.867 50 0 HJAALO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600912 569046183 /nfs/dbraw/zinc/04/61/83/569046183.db2.gz UTSWMUVKQRJNRT-WMZOPIPTSA-N 1 2 406.448 4.867 50 0 HJAALO CC(C)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(=O)c1ccc(F)cc1 ZINC000006689662 569089399 /nfs/dbraw/zinc/08/93/99/569089399.db2.gz FVLPYDJQPXLFMB-UHFFFAOYSA-N 1 2 403.860 4.914 50 0 HJAALO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104208 569092361 /nfs/dbraw/zinc/09/23/61/569092361.db2.gz ACIHCTHQKSUFBC-JOCHJYFZSA-N 1 2 415.455 4.854 50 0 HJAALO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104208 569092362 /nfs/dbraw/zinc/09/23/62/569092362.db2.gz ACIHCTHQKSUFBC-JOCHJYFZSA-N 1 2 415.455 4.854 50 0 HJAALO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCCCCC3)c2c1C ZINC000006787623 569122070 /nfs/dbraw/zinc/12/20/70/569122070.db2.gz MRCGBLWDBMTXKG-UHFFFAOYSA-N 1 2 416.591 4.543 50 0 HJAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000006941921 569186699 /nfs/dbraw/zinc/18/66/99/569186699.db2.gz QPGJOYDIFQERHA-ZDUSSCGKSA-N 1 2 409.902 4.588 50 0 HJAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNC(=O)c2ccc(Br)o2)cc1 ZINC000065171120 569189241 /nfs/dbraw/zinc/18/92/41/569189241.db2.gz GHVPXBFHCBNZDD-UHFFFAOYSA-N 1 2 415.287 4.660 50 0 HJAALO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c(Cl)c1 ZINC000065184112 569191299 /nfs/dbraw/zinc/19/12/99/569191299.db2.gz CKKPRNCYOFDDGT-UHFFFAOYSA-N 1 2 410.905 4.517 50 0 HJAALO Cc1cc(Cl)cc2sc(N(CCCn3cc[nH+]c3)C(=O)c3ccco3)nc21 ZINC000007424818 569237977 /nfs/dbraw/zinc/23/79/77/569237977.db2.gz PVHKRVMZAQRKKP-UHFFFAOYSA-N 1 2 400.891 4.785 50 0 HJAALO C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009883861 569251527 /nfs/dbraw/zinc/25/15/27/569251527.db2.gz OOEJNFNCFGNAQA-MRXNPFEDSA-N 1 2 416.506 4.677 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2c(c1)CCCC2 ZINC000016837674 569263881 /nfs/dbraw/zinc/26/38/81/569263881.db2.gz ASSKUVDKJWLOQD-UHFFFAOYSA-N 1 2 403.551 4.833 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2c(c1)CCCC2 ZINC000016837674 569263882 /nfs/dbraw/zinc/26/38/82/569263882.db2.gz ASSKUVDKJWLOQD-UHFFFAOYSA-N 1 2 403.551 4.833 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCc2c[nH]c3ccccc23)cc1Cl ZINC000017120904 569275125 /nfs/dbraw/zinc/27/51/25/569275125.db2.gz KXFCKKVFBNXGBZ-UHFFFAOYSA-N 1 2 402.889 4.913 50 0 HJAALO Cc1cc2[nH+]c(Cc3ccc(F)cc3)n([C@H](C)C(=O)NCc3ccccn3)c2cc1C ZINC000037396900 569296306 /nfs/dbraw/zinc/29/63/06/569296306.db2.gz PTIUPVYWTVJQLN-GOSISDBHSA-N 1 2 416.500 4.655 50 0 HJAALO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C)Cc2ccsc2)cc1 ZINC000007926933 569327439 /nfs/dbraw/zinc/32/74/39/569327439.db2.gz MMWNYHHUFWJEJH-HSZRJFAPSA-N 1 2 419.550 4.566 50 0 HJAALO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)Cc2ccsc2)cc1 ZINC000007926933 569327441 /nfs/dbraw/zinc/32/74/41/569327441.db2.gz MMWNYHHUFWJEJH-HSZRJFAPSA-N 1 2 419.550 4.566 50 0 HJAALO Brc1ccc(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000002446283 569401339 /nfs/dbraw/zinc/40/13/39/569401339.db2.gz KBXRFAJWPNTBDH-UHFFFAOYSA-N 1 2 411.328 4.929 50 0 HJAALO COc1c(Br)c(C)sc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078939024 569421889 /nfs/dbraw/zinc/42/18/89/569421889.db2.gz OCGZHBYUUPBUHB-LLVKDONJSA-N 1 2 420.332 4.504 50 0 HJAALO Cc1cc(Br)ccc1NC(=O)COc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000079061216 569426335 /nfs/dbraw/zinc/42/63/35/569426335.db2.gz OCNRTGCDDOEDKT-UHFFFAOYSA-N 1 2 413.271 4.962 50 0 HJAALO O=C(CSc1nc2ccccc2o1)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671576 571060614 /nfs/dbraw/zinc/06/06/14/571060614.db2.gz ZWVXFGJGINPFLK-UHFFFAOYSA-N 1 2 420.538 4.886 50 0 HJAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)C1(c2ccccc2)CCOCC1 ZINC000038671609 571060745 /nfs/dbraw/zinc/06/07/45/571060745.db2.gz KVTFIJUWBFLUQG-UHFFFAOYSA-N 1 2 417.553 4.701 50 0 HJAALO C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533016 571074694 /nfs/dbraw/zinc/07/46/94/571074694.db2.gz MTFYEZFNNIKGAW-CYBMUJFWSA-N 1 2 400.935 4.551 50 0 HJAALO Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2[nH+]ccn2C)CCCC4)cc1 ZINC000008719726 571106785 /nfs/dbraw/zinc/10/67/85/571106785.db2.gz LTCQZKGYPODEFM-UHFFFAOYSA-N 1 2 422.579 4.660 50 0 HJAALO Fc1ccc(OCc2noc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000040039724 571141927 /nfs/dbraw/zinc/14/19/27/571141927.db2.gz MOXCFUCQBMEVGY-UHFFFAOYSA-N 1 2 424.501 4.777 50 0 HJAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]([C@@H](C)c1ccccc1F)C1CC1 ZINC000040155714 571202793 /nfs/dbraw/zinc/20/27/93/571202793.db2.gz UJSNRZFVKBPLMW-KRWDZBQOSA-N 1 2 406.505 4.792 50 0 HJAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]([C@@H](C)c1ccccc1F)C1CC1 ZINC000040155714 571202795 /nfs/dbraw/zinc/20/27/95/571202795.db2.gz UJSNRZFVKBPLMW-KRWDZBQOSA-N 1 2 406.505 4.792 50 0 HJAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]([C@H](C)c1ccccc1F)C1CC1 ZINC000040155715 571203047 /nfs/dbraw/zinc/20/30/47/571203047.db2.gz UJSNRZFVKBPLMW-QGZVFWFLSA-N 1 2 406.505 4.792 50 0 HJAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]([C@H](C)c1ccccc1F)C1CC1 ZINC000040155715 571203048 /nfs/dbraw/zinc/20/30/48/571203048.db2.gz UJSNRZFVKBPLMW-QGZVFWFLSA-N 1 2 406.505 4.792 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(F)cc1 ZINC000009377764 571253189 /nfs/dbraw/zinc/25/31/89/571253189.db2.gz FOSKVIUILMFLPQ-QHCPKHFHSA-N 1 2 413.452 4.703 50 0 HJAALO CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)Nc4cccc(C)c4)CC3)cc(C)c2c1 ZINC000021704300 519735064 /nfs/dbraw/zinc/73/50/64/519735064.db2.gz SVBARGJWERCXGT-UHFFFAOYSA-N 1 2 416.525 4.665 50 0 HJAALO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000032543439 526297969 /nfs/dbraw/zinc/29/79/69/526297969.db2.gz QCOBQDAFSJLCFK-UHFFFAOYSA-N 1 2 421.932 4.884 50 0 HJAALO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000032543439 526297973 /nfs/dbraw/zinc/29/79/73/526297973.db2.gz QCOBQDAFSJLCFK-UHFFFAOYSA-N 1 2 421.932 4.884 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCn1ccc2ccccc21)c1ccc(Cl)cc1 ZINC000032802259 527452129 /nfs/dbraw/zinc/45/21/29/527452129.db2.gz FMRYSJRSDWOOFT-NRFANRHFSA-N 1 2 421.932 4.507 50 0 HJAALO CCc1c(C)[nH+]c(-c2cccc(C)c2)nc1N1CCN(C(=O)c2ccccc2C)CC1 ZINC000006834552 536069472 /nfs/dbraw/zinc/06/94/72/536069472.db2.gz ATYXRAOAZYGPQV-UHFFFAOYSA-N 1 2 414.553 4.594 50 0 HJAALO O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1 ZINC000034906713 557473952 /nfs/dbraw/zinc/47/39/52/557473952.db2.gz PYANNWXWZNIPTH-IBGZPJMESA-N 1 2 420.532 4.823 50 0 HJAALO O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019922487 558307399 /nfs/dbraw/zinc/30/73/99/558307399.db2.gz BVVDQHUBZZJEQQ-UHFFFAOYSA-N 1 2 408.542 4.584 50 0 HJAALO O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000020905719 558420825 /nfs/dbraw/zinc/42/08/25/558420825.db2.gz IQQGQMVVQWNTQR-UHFFFAOYSA-N 1 2 409.555 4.895 50 0 HJAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000021335405 558436062 /nfs/dbraw/zinc/43/60/62/558436062.db2.gz FJZOWBCRPMQXOM-HXUWFJFHSA-N 1 2 405.498 4.573 50 0 HJAALO O=C(c1ccccc1OC1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCCC1 ZINC000012718486 558455919 /nfs/dbraw/zinc/45/59/19/558455919.db2.gz XGGOZIVSPHDFPF-UHFFFAOYSA-N 1 2 416.924 4.759 50 0 HJAALO CCOc1c(Cl)cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1OC ZINC000012819982 558476755 /nfs/dbraw/zinc/47/67/55/558476755.db2.gz ITSVIIJKKDHZLY-CYBMUJFWSA-N 1 2 423.966 4.688 50 0 HJAALO CCOc1c(Cl)cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1OC ZINC000012819982 558476758 /nfs/dbraw/zinc/47/67/58/558476758.db2.gz ITSVIIJKKDHZLY-CYBMUJFWSA-N 1 2 423.966 4.688 50 0 HJAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022784112 558510587 /nfs/dbraw/zinc/51/05/87/558510587.db2.gz BBYHXFVRJYMNBW-IBGZPJMESA-N 1 2 405.567 4.560 50 0 HJAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccncc4)CC3)c3ccccc3n2)cc1 ZINC000023800773 558576120 /nfs/dbraw/zinc/57/61/20/558576120.db2.gz MAPXNHARUHJJLD-UHFFFAOYSA-N 1 2 422.532 4.563 50 0 HJAALO C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000023873050 558578943 /nfs/dbraw/zinc/57/89/43/558578943.db2.gz VNGUSSDYXGOPJD-NLFFAJNJSA-N 1 2 400.522 4.545 50 0 HJAALO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1-c1ccc(Cl)cc1 ZINC000024981125 558624396 /nfs/dbraw/zinc/62/43/96/558624396.db2.gz YWKOVTQWAHBWQY-UHFFFAOYSA-N 1 2 415.950 4.529 50 0 HJAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c(OC)c1 ZINC000014185897 558631027 /nfs/dbraw/zinc/63/10/27/558631027.db2.gz JRTZKNKIQMMQTP-HXUWFJFHSA-N 1 2 424.570 4.738 50 0 HJAALO COc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c(OC)c1 ZINC000014185897 558631028 /nfs/dbraw/zinc/63/10/28/558631028.db2.gz JRTZKNKIQMMQTP-HXUWFJFHSA-N 1 2 424.570 4.738 50 0 HJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c(OC)c1 ZINC000014185895 558631037 /nfs/dbraw/zinc/63/10/37/558631037.db2.gz JRTZKNKIQMMQTP-FQEVSTJZSA-N 1 2 424.570 4.738 50 0 HJAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c(OC)c1 ZINC000014185895 558631038 /nfs/dbraw/zinc/63/10/38/558631038.db2.gz JRTZKNKIQMMQTP-FQEVSTJZSA-N 1 2 424.570 4.738 50 0 HJAALO C[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329185 558638138 /nfs/dbraw/zinc/63/81/38/558638138.db2.gz BIFGJZQFTVKJMP-AUUYWEPGSA-N 1 2 424.397 4.742 50 0 HJAALO CC[C@H](c1nnc(SCc2cc(-c3ccco3)on2)n1Cc1ccccc1)[NH+](C)C ZINC000014244640 558645872 /nfs/dbraw/zinc/64/58/72/558645872.db2.gz QRUFEVADHITNQG-GOSISDBHSA-N 1 2 423.542 4.879 50 0 HJAALO C[N@H+](Cc1csc(COc2ccc(Cl)cc2)n1)Cc1ccc2c(c1)OCO2 ZINC000025926265 558652298 /nfs/dbraw/zinc/65/22/98/558652298.db2.gz STTYMSZFRRADSS-UHFFFAOYSA-N 1 2 402.903 4.736 50 0 HJAALO C[N@@H+](Cc1csc(COc2ccc(Cl)cc2)n1)Cc1ccc2c(c1)OCO2 ZINC000025926265 558652299 /nfs/dbraw/zinc/65/22/99/558652299.db2.gz STTYMSZFRRADSS-UHFFFAOYSA-N 1 2 402.903 4.736 50 0 HJAALO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2nc3ccccc3o2)cc1 ZINC000026926844 558667272 /nfs/dbraw/zinc/66/72/72/558667272.db2.gz NFYYOGQMLHJQSU-UHFFFAOYSA-N 1 2 401.466 4.515 50 0 HJAALO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2nc3ccccc3o2)cc1 ZINC000026926844 558667275 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50 0 HJAALO Cc1c([C@H](C)[NH2+]Cc2nc(-c3ccc(Cl)cc3)no2)cnn1-c1cccc(F)c1 ZINC000019300248 558866322 /nfs/dbraw/zinc/86/63/22/558866322.db2.gz PTMSEPUPZPBOLJ-ZDUSSCGKSA-N 1 2 411.868 4.874 50 0 HJAALO COc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCCCC4)cc(C)[nH+]3)cc2)cc1 ZINC000033078145 558867591 /nfs/dbraw/zinc/86/75/91/558867591.db2.gz AHENYRLIBBBULN-UHFFFAOYSA-N 1 2 417.513 4.780 50 0 HJAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000058121387 558900029 /nfs/dbraw/zinc/90/00/29/558900029.db2.gz CMRDBYBFYSJLDC-UHFFFAOYSA-N 1 2 409.574 4.703 50 0 HJAALO CCOc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)cs2)cc1OC ZINC000058165436 558906683 /nfs/dbraw/zinc/90/66/83/558906683.db2.gz ATOPFRZTTRXSHX-UHFFFAOYSA-N 1 2 409.555 4.540 50 0 HJAALO C=Cc1ccc(CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)cc1 ZINC000033287268 559043852 /nfs/dbraw/zinc/04/38/52/559043852.db2.gz WZTXNTMBNAVGIZ-UHFFFAOYSA-N 1 2 419.550 4.684 50 0 HJAALO C=Cc1ccc(CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2OC)CC3)cc1 ZINC000033287268 559043853 /nfs/dbraw/zinc/04/38/53/559043853.db2.gz WZTXNTMBNAVGIZ-UHFFFAOYSA-N 1 2 419.550 4.684 50 0 HJAALO CC[N@H+](CCCNC(=O)c1cc2c(s1)c1ccccc1oc2=O)c1cccc(C)c1 ZINC000004765860 559054872 /nfs/dbraw/zinc/05/48/72/559054872.db2.gz FHISMAHYBDTHDN-UHFFFAOYSA-N 1 2 420.534 4.963 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1cc2c(s1)c1ccccc1oc2=O)c1cccc(C)c1 ZINC000004765860 559054874 /nfs/dbraw/zinc/05/48/74/559054874.db2.gz FHISMAHYBDTHDN-UHFFFAOYSA-N 1 2 420.534 4.963 50 0 HJAALO COc1c(C)c[nH+]c(CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c1C ZINC000033328931 559061173 /nfs/dbraw/zinc/06/11/73/559061173.db2.gz LUSGQNSCHDAYBR-UHFFFAOYSA-N 1 2 417.494 4.850 50 0 HJAALO O=C(c1ccc(F)cc1F)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023323093 559143544 /nfs/dbraw/zinc/14/35/44/559143544.db2.gz LEUGQMLIAPNJME-QHCPKHFHSA-N 1 2 410.439 4.651 50 0 HJAALO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OC(F)F ZINC000002654667 560587169 /nfs/dbraw/zinc/58/71/69/560587169.db2.gz QGTJHIVXGHHAPU-UHFFFAOYSA-N 1 2 406.473 4.665 50 0 HJAALO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OC(F)F ZINC000002654667 560587170 /nfs/dbraw/zinc/58/71/70/560587170.db2.gz QGTJHIVXGHHAPU-UHFFFAOYSA-N 1 2 406.473 4.665 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000005444426 560588003 /nfs/dbraw/zinc/58/80/03/560588003.db2.gz VCTNFVJYQRNEQU-UHFFFAOYSA-N 1 2 407.583 4.856 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000005444426 560588004 /nfs/dbraw/zinc/58/80/04/560588004.db2.gz VCTNFVJYQRNEQU-UHFFFAOYSA-N 1 2 407.583 4.856 50 0 HJAALO N=c1c2c(ncn1CCCn1cc[nH+]c1)Oc1c3ccccc3ccc1[C@H]2c1ccco1 ZINC000101350711 560793350 /nfs/dbraw/zinc/79/33/50/560793350.db2.gz MRNNSJKHGBTYGZ-NRFANRHFSA-N 1 2 423.476 4.681 50 0 HJAALO CC1CC[NH+]([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)CC1 ZINC000022852563 568415645 /nfs/dbraw/zinc/41/56/45/568415645.db2.gz FENZKNZTVGUNDT-HNNXBMFYSA-N 1 2 400.529 4.639 50 0 HJAALO Cc1cc(O[C@@H](C)C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1C(C)C 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OFKXWMIRPHSLML-UHFFFAOYSA-N 1 2 416.525 4.602 50 0 HJAALO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@H+](Cc1cn(C)nc1C)C2 ZINC000014991083 568718449 /nfs/dbraw/zinc/71/84/49/568718449.db2.gz JGOALMJDZQQCJL-UHFFFAOYSA-N 1 2 409.555 4.521 50 0 HJAALO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@@H+](Cc1cn(C)nc1C)C2 ZINC000014991083 568718453 /nfs/dbraw/zinc/71/84/53/568718453.db2.gz JGOALMJDZQQCJL-UHFFFAOYSA-N 1 2 409.555 4.521 50 0 HJAALO CCc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724877 568751606 /nfs/dbraw/zinc/75/16/06/568751606.db2.gz GGSWORICLJYYKR-NRFANRHFSA-N 1 2 418.541 4.767 50 0 HJAALO CCc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724877 568751608 /nfs/dbraw/zinc/75/16/08/568751608.db2.gz GGSWORICLJYYKR-NRFANRHFSA-N 1 2 418.541 4.767 50 0 HJAALO c1csc(CCNc2nc(NCc3ccc4c(c3)OCO4)[nH+]c3ccccc32)c1 ZINC000227116953 568827724 /nfs/dbraw/zinc/82/77/24/568827724.db2.gz NIJBSWCADPSCJP-UHFFFAOYSA-N 1 2 404.495 4.687 50 0 HJAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000058139136 568890445 /nfs/dbraw/zinc/89/04/45/568890445.db2.gz MYDOJLUETIOLCL-UHFFFAOYSA-N 1 2 421.928 4.893 50 0 HJAALO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000003376225 568891362 /nfs/dbraw/zinc/89/13/62/568891362.db2.gz HSSGSUOZYDUZBF-HUUCEWRRSA-N 1 2 414.962 4.907 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2ncsc2c1 ZINC000006083508 568996954 /nfs/dbraw/zinc/99/69/54/568996954.db2.gz BGOWTAPBKQQFGO-UHFFFAOYSA-N 1 2 406.536 4.563 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2ncsc2c1 ZINC000006083508 568996955 /nfs/dbraw/zinc/99/69/55/568996955.db2.gz BGOWTAPBKQQFGO-UHFFFAOYSA-N 1 2 406.536 4.563 50 0 HJAALO COc1ccc(CCC(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1 ZINC000015863690 569016222 /nfs/dbraw/zinc/01/62/22/569016222.db2.gz GFXOZMZSGMVCCT-UHFFFAOYSA-N 1 2 413.521 4.938 50 0 HJAALO O=S(=O)(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccccc1C(F)(F)F ZINC000575621429 569039077 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HJAALO CC(C)C(=O)N(Cc1ccco1)Cc1[nH+]ccn1Cc1cccc(C(F)(F)F)c1 ZINC000006689920 569089317 /nfs/dbraw/zinc/08/93/17/569089317.db2.gz FWJSRZBHBYZNNU-UHFFFAOYSA-N 1 2 405.420 4.728 50 0 HJAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c(C)c1 ZINC000064845232 569108091 /nfs/dbraw/zinc/10/80/91/569108091.db2.gz VUMZEBQJYKIRSL-UHFFFAOYSA-N 1 2 419.572 4.975 50 0 HJAALO CCC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)c1ccccc1Br ZINC000036397214 569170225 /nfs/dbraw/zinc/17/02/25/569170225.db2.gz FJDZWIONRXGZCH-AWEZNQCLSA-N 1 2 419.319 4.590 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)c1ccccc1Br ZINC000036397214 569170227 /nfs/dbraw/zinc/17/02/27/569170227.db2.gz FJDZWIONRXGZCH-AWEZNQCLSA-N 1 2 419.319 4.590 50 0 HJAALO CCOc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)cc1 ZINC000065260065 569210833 /nfs/dbraw/zinc/21/08/33/569210833.db2.gz SYWBCSIRRVXMDD-VWLOTQADSA-N 1 2 420.557 4.604 50 0 HJAALO Cc1ccc2[nH+]c(CSc3nnc(N4CCCCC4)n3-c3ccccc3)cn2c1 ZINC000007072228 569216902 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C[C@@H](NC(=O)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1)c1ccccc1 ZINC000034668410 557362018 /nfs/dbraw/zinc/36/20/18/557362018.db2.gz PTWDNQYYACZFQM-HXUWFJFHSA-N 1 2 417.528 4.639 50 0 HJAALO O=C(NCc1ccccc1F)c1csc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000034669011 557362671 /nfs/dbraw/zinc/36/26/71/557362671.db2.gz ZDUBFHRIRZARRG-UHFFFAOYSA-N 1 2 423.557 4.667 50 0 HJAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1 ZINC000002858389 557408435 /nfs/dbraw/zinc/40/84/35/557408435.db2.gz NUEFMEKAAVPZST-UHFFFAOYSA-N 1 2 405.527 4.889 50 0 HJAALO CCCn1c2ccccc2[nH+]c1N1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000034907116 557474248 /nfs/dbraw/zinc/47/42/48/557474248.db2.gz CKVJFTOZBYAMCK-UHFFFAOYSA-N 1 2 412.537 4.998 50 0 HJAALO Cc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc(O)cc1 ZINC000004742065 557591173 /nfs/dbraw/zinc/59/11/73/557591173.db2.gz IBGZPTSHPAYLFD-HSZRJFAPSA-N 1 2 410.477 4.978 50 0 HJAALO CCn1ccnc1C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000011935116 558299169 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CC(C)[N@@H+]1CCc2nc3sc(C(=O)Nc4cccc(Cl)c4)c(N)c3cc2C1 ZINC000020289855 558353899 /nfs/dbraw/zinc/35/38/99/558353899.db2.gz HKTYAYOOHVXYQZ-UHFFFAOYSA-N 1 2 400.935 4.551 50 0 HJAALO CC(C)[N@H+]1CCc2nc3sc(C(=O)Nc4cccc(Cl)c4)c(N)c3cc2C1 ZINC000020289855 558353901 /nfs/dbraw/zinc/35/39/01/558353901.db2.gz HKTYAYOOHVXYQZ-UHFFFAOYSA-N 1 2 400.935 4.551 50 0 HJAALO O=C(c1cccnc1SCCC(F)=C(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020405341 558359943 /nfs/dbraw/zinc/35/99/43/558359943.db2.gz FPMCPISYKHYSPS-UHFFFAOYSA-N 1 2 421.488 4.599 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2nc(C)c[nH]2)cc1F ZINC000012297916 558368037 /nfs/dbraw/zinc/36/80/37/558368037.db2.gz AHDDBLNLKFTEFZ-UHFFFAOYSA-N 1 2 419.504 4.659 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2nc(C)c[nH]2)cc1F ZINC000012297916 558368041 /nfs/dbraw/zinc/36/80/41/558368041.db2.gz AHDDBLNLKFTEFZ-UHFFFAOYSA-N 1 2 419.504 4.659 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2[nH]cc(C)[nH+]2)cc1F ZINC000012297916 558368044 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HJAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CC(=O)Nc1ccccc1C)CC2 ZINC000012986919 558495674 /nfs/dbraw/zinc/49/56/74/558495674.db2.gz RRNDQAPYIKXULU-DEOSSOPVSA-N 1 2 422.550 4.660 50 0 HJAALO O=C(c1cccc(CSc2ccc(Cl)cc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013062276 558509957 /nfs/dbraw/zinc/50/99/57/558509957.db2.gz MSAVWHZDNWIJBG-UHFFFAOYSA-N 1 2 423.969 4.990 50 0 HJAALO CC1CC[NH+](Cn2nc(-c3ccc(Cl)cc3)n(C[C@@H]3CCCO3)c2=S)CC1 ZINC000013072661 558511789 /nfs/dbraw/zinc/51/17/89/558511789.db2.gz QSJPYOWCVYUQGU-SFHVURJKSA-N 1 2 406.983 4.603 50 0 HJAALO COc1ccc(OCCn2c3ccccc3n(Cc3ccccc3Cl)c2=[NH2+])cc1 ZINC000023504998 558560192 /nfs/dbraw/zinc/56/01/92/558560192.db2.gz ZBJAFOMXHIBFEN-UHFFFAOYSA-N 1 2 407.901 4.712 50 0 HJAALO C[N@H+](CN1C(=O)NC2(CCCCCCC2)C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197188 558633804 /nfs/dbraw/zinc/63/38/04/558633804.db2.gz QFYAGBZPYDPJGC-QFIPXVFZSA-N 1 2 423.532 4.839 50 0 HJAALO C[N@@H+](CN1C(=O)NC2(CCCCCCC2)C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197188 558633806 /nfs/dbraw/zinc/63/38/06/558633806.db2.gz QFYAGBZPYDPJGC-QFIPXVFZSA-N 1 2 423.532 4.839 50 0 HJAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000014972303 558687771 /nfs/dbraw/zinc/68/77/71/558687771.db2.gz LZKVMVJNJDTMRS-HXUWFJFHSA-N 1 2 405.498 4.619 50 0 HJAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000014972303 558687774 /nfs/dbraw/zinc/68/77/74/558687774.db2.gz LZKVMVJNJDTMRS-HXUWFJFHSA-N 1 2 405.498 4.619 50 0 HJAALO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)oc2c1C ZINC000028290356 558696681 /nfs/dbraw/zinc/69/66/81/558696681.db2.gz XCCUGFPFXVKTGM-HXUWFJFHSA-N 1 2 424.928 4.630 50 0 HJAALO CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000015066840 558709722 /nfs/dbraw/zinc/70/97/22/558709722.db2.gz ZRJQTCMNUMSSOE-QFIPXVFZSA-N 1 2 411.509 4.502 50 0 HJAALO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2nc(C(C)C)cs2)CC1 ZINC000015075243 558715854 /nfs/dbraw/zinc/71/58/54/558715854.db2.gz LGMTYYQNJFGDOW-UHFFFAOYSA-N 1 2 416.587 4.663 50 0 HJAALO COc1cc2c(cc1OC)C[N@@H+]([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 ZINC000034863349 558785758 /nfs/dbraw/zinc/78/57/58/558785758.db2.gz DFZBTMNYFZPVEW-DEOSSOPVSA-N 1 2 420.484 4.581 50 0 HJAALO COc1cc2c(cc1OC)C[N@H+]([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 ZINC000034863349 558785762 /nfs/dbraw/zinc/78/57/62/558785762.db2.gz DFZBTMNYFZPVEW-DEOSSOPVSA-N 1 2 420.484 4.581 50 0 HJAALO Cc1c(Cl)cccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000004601806 558842395 /nfs/dbraw/zinc/84/23/95/558842395.db2.gz HXFANCSWRGFUEV-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccccc1Cl)N1CCSCC1 ZINC000072328502 558864033 /nfs/dbraw/zinc/86/40/33/558864033.db2.gz CPKXMGRNTVOHKK-UHFFFAOYSA-N 1 2 415.921 4.828 50 0 HJAALO C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071167 558866603 /nfs/dbraw/zinc/86/66/03/558866603.db2.gz SVOFPXNAHRFMQZ-INIZCTEOSA-N 1 2 410.949 4.570 50 0 HJAALO CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3c1ccc(OCc3ccccc3)cc1)C2=O ZINC000019327382 558868035 /nfs/dbraw/zinc/86/80/35/558868035.db2.gz PLHBDXRKXUYROR-UHFFFAOYSA-N 1 2 418.581 4.763 50 0 HJAALO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1cnccn1 ZINC000055245290 558877233 /nfs/dbraw/zinc/87/72/33/558877233.db2.gz FYZIBQYAAMFUKW-UHFFFAOYSA-N 1 2 409.493 4.767 50 0 HJAALO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1cnccn1 ZINC000055245290 558877235 /nfs/dbraw/zinc/87/72/35/558877235.db2.gz FYZIBQYAAMFUKW-UHFFFAOYSA-N 1 2 409.493 4.767 50 0 HJAALO Cc1cc(S(=O)(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)ccc1F ZINC000033116535 558877654 /nfs/dbraw/zinc/87/76/54/558877654.db2.gz KIQKFTMAZIOSPJ-UHFFFAOYSA-N 1 2 409.486 4.596 50 0 HJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000055270506 558878123 /nfs/dbraw/zinc/87/81/23/558878123.db2.gz PMTCJYLWGITONT-UHFFFAOYSA-N 1 2 422.838 4.731 50 0 HJAALO O=c1c(C[NH+]2CCN(c3ccc(F)cc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292147 558878569 /nfs/dbraw/zinc/87/85/69/558878569.db2.gz QQVLRMPSHCAWSQ-UHFFFAOYSA-N 1 2 407.272 4.561 50 0 HJAALO CCCCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002149 558968837 /nfs/dbraw/zinc/96/88/37/558968837.db2.gz TYKUCCHGUXTTPO-UHFFFAOYSA-N 1 2 422.960 4.745 50 0 HJAALO C[NH+](C)[C@@H](CNCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000022029999 558985214 /nfs/dbraw/zinc/98/52/14/558985214.db2.gz GLEAMFUGRGEBHP-NRFANRHFSA-N 1 2 403.551 4.708 50 0 HJAALO Cc1[nH+]c2ccccc2n1[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000100769156 559140072 /nfs/dbraw/zinc/14/00/72/559140072.db2.gz GGOHXTAHLUDSOK-INIZCTEOSA-N 1 2 407.779 4.522 50 0 HJAALO Cc1ccc(C)c(S(=O)(=O)CC[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000023828726 559181242 /nfs/dbraw/zinc/18/12/42/559181242.db2.gz HIBWLGSRCPALAG-UHFFFAOYSA-N 1 2 414.596 4.566 50 0 HJAALO C[N@H+](CCc1ccccn1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000004883124 559197473 /nfs/dbraw/zinc/19/74/73/559197473.db2.gz KUTNCLSYRWQFCJ-UHFFFAOYSA-N 1 2 419.529 4.736 50 0 HJAALO C[N@@H+](CCc1ccccn1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000004883124 559197474 /nfs/dbraw/zinc/19/74/74/559197474.db2.gz KUTNCLSYRWQFCJ-UHFFFAOYSA-N 1 2 419.529 4.736 50 0 HJAALO C[C@H]1CCC[N@H+](CC(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)C1 ZINC000005030976 559230930 /nfs/dbraw/zinc/23/09/30/559230930.db2.gz WJVSQCGOLIVPSF-HNNXBMFYSA-N 1 2 410.514 4.738 50 0 HJAALO C[C@H]1CCC[N@@H+](CC(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)C1 ZINC000005030976 559230932 /nfs/dbraw/zinc/23/09/32/559230932.db2.gz WJVSQCGOLIVPSF-HNNXBMFYSA-N 1 2 410.514 4.738 50 0 HJAALO O=C(NCc1[nH+]ccn1CCCc1ccccc1)Nc1cccc(OC(F)(F)F)c1 ZINC000079051630 560541549 /nfs/dbraw/zinc/54/15/49/560541549.db2.gz QBGPRNOXZVFYEP-UHFFFAOYSA-N 1 2 418.419 4.736 50 0 HJAALO Cc1ccc(/N=c2\scc(-c3cccs3)n2CCC[NH+]2CCOCC2)cc1C ZINC000005299000 560564009 /nfs/dbraw/zinc/56/40/09/560564009.db2.gz DOESSYYYPFOTAX-FCQUAONHSA-N 1 2 413.612 4.850 50 0 HJAALO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000018017416 560767080 /nfs/dbraw/zinc/76/70/80/560767080.db2.gz SLMHGLISDGNNHO-UHFFFAOYSA-N 1 2 419.015 4.777 50 0 HJAALO C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047679 560773954 /nfs/dbraw/zinc/77/39/54/560773954.db2.gz FBYDNQJVBLRZDV-HNNXBMFYSA-N 1 2 401.491 4.984 50 0 HJAALO C[C@@H]1CCC[N@@H+]([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000102894518 560852816 /nfs/dbraw/zinc/85/28/16/560852816.db2.gz RMHJLCAYZVGRSG-IUODEOHRSA-N 1 2 400.529 4.639 50 0 HJAALO C[C@@H]1CCC[N@H+]([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000102894518 560852817 /nfs/dbraw/zinc/85/28/17/560852817.db2.gz RMHJLCAYZVGRSG-IUODEOHRSA-N 1 2 400.529 4.639 50 0 HJAALO Fc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Br ZINC000055543953 568489072 /nfs/dbraw/zinc/48/90/72/568489072.db2.gz OOZQWUSUADAQPV-UHFFFAOYSA-N 1 2 417.244 4.929 50 0 HJAALO CCOC(=O)c1c[nH+]c2cc(Cl)c(OC)cc2c1NCc1ccccc1OC ZINC000020103848 568587985 /nfs/dbraw/zinc/58/79/85/568587985.db2.gz LGHSUFYSMLJHMQ-UHFFFAOYSA-N 1 2 400.862 4.694 50 0 HJAALO CC[N@H+](CCSc1cc(Cl)ccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000095351106 568600994 /nfs/dbraw/zinc/60/09/94/568600994.db2.gz ZRCYAFYEMVYXKN-UHFFFAOYSA-N 1 2 408.354 4.844 50 0 HJAALO CC[N@@H+](CCSc1cc(Cl)ccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000095351106 568600997 /nfs/dbraw/zinc/60/09/97/568600997.db2.gz ZRCYAFYEMVYXKN-UHFFFAOYSA-N 1 2 408.354 4.844 50 0 HJAALO Cc1cc(Cl)ccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cccs1 ZINC000020678453 568639911 /nfs/dbraw/zinc/63/99/11/568639911.db2.gz FQIWAURKIPJKEI-UHFFFAOYSA-N 1 2 424.035 4.631 50 0 HJAALO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4ccc(Cl)s4)CC3)o2)cc1 ZINC000096124636 568701068 /nfs/dbraw/zinc/70/10/68/568701068.db2.gz XNQAZCDMWGLRTK-OAHLLOKOSA-N 1 2 402.951 4.639 50 0 HJAALO CC(C)c1nn(-c2ccc(Cl)c(Cl)c2)c(C(C)C)c1C(=O)N1CC[NH+](C)CC1 ZINC000096207169 568704341 /nfs/dbraw/zinc/70/43/41/568704341.db2.gz XJGPKTKLNAWOLO-UHFFFAOYSA-N 1 2 423.388 4.814 50 0 HJAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096316834 568726095 /nfs/dbraw/zinc/72/60/95/568726095.db2.gz ZSHBNHRHYVPAKN-UHFFFAOYSA-N 1 2 422.617 4.756 50 0 HJAALO Cc1cccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)CC(C)C)CC2)c1 ZINC000096317257 568726464 /nfs/dbraw/zinc/72/64/64/568726464.db2.gz GBUSAEMJXCHFOM-UHFFFAOYSA-N 1 2 408.590 4.502 50 0 HJAALO CC[C@@H](C)c1nc(N2CCN(C(=O)CC(C)C)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317472 568726863 /nfs/dbraw/zinc/72/68/63/568726863.db2.gz WAWFIQKQSLYKDH-HXUWFJFHSA-N 1 2 422.617 4.892 50 0 HJAALO CCCc1[nH]c2ccc(CCC(=O)NCc3cccc(Br)c3)cc2[nH+]1 ZINC000096332883 568736458 /nfs/dbraw/zinc/73/64/58/568736458.db2.gz NIQSDGMJQCRSHX-UHFFFAOYSA-N 1 2 400.320 4.527 50 0 HJAALO CCCc1[nH]c2cc(CCC(=O)NCc3cccc(Br)c3)ccc2[nH+]1 ZINC000096332883 568736460 /nfs/dbraw/zinc/73/64/60/568736460.db2.gz NIQSDGMJQCRSHX-UHFFFAOYSA-N 1 2 400.320 4.527 50 0 HJAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)no2)cc1 ZINC000021724482 568750998 /nfs/dbraw/zinc/75/09/98/568750998.db2.gz AYZJDAXRJMWUNJ-UHFFFAOYSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(C)c4C)C3)no2)cc1 ZINC000021724828 568751404 /nfs/dbraw/zinc/75/14/04/568751404.db2.gz AAUJYKYDJLBZEB-HXUWFJFHSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(C)c4C)C3)no2)cc1 ZINC000021724828 568751406 /nfs/dbraw/zinc/75/14/06/568751406.db2.gz AAUJYKYDJLBZEB-HXUWFJFHSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4cc(C)cc(C)c4)C3)no2)cc1 ZINC000021724870 568751576 /nfs/dbraw/zinc/75/15/76/568751576.db2.gz HGVWMLIRXSPGSL-FQEVSTJZSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4cc(C)cc(C)c4)C3)no2)cc1 ZINC000021724870 568751578 /nfs/dbraw/zinc/75/15/78/568751578.db2.gz HGVWMLIRXSPGSL-FQEVSTJZSA-N 1 2 404.514 4.513 50 0 HJAALO COc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@H]([NH+]3CCCCC3)O2)cc1OC ZINC000096572609 568761384 /nfs/dbraw/zinc/76/13/84/568761384.db2.gz SDURFNCSDNSPJT-XMMPIXPASA-N 1 2 411.498 4.734 50 0 HJAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022460143 568768196 /nfs/dbraw/zinc/76/81/96/568768196.db2.gz LLYIUPRXVAQFCM-GCJKJVERSA-N 1 2 413.631 4.543 50 0 HJAALO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1c(C)cccc1C ZINC000002649761 568795917 /nfs/dbraw/zinc/79/59/17/568795917.db2.gz VNSILLQALVCWPL-UHFFFAOYSA-N 1 2 422.356 4.899 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1c(C)cccc1C ZINC000002649761 568795918 /nfs/dbraw/zinc/79/59/18/568795918.db2.gz VNSILLQALVCWPL-UHFFFAOYSA-N 1 2 422.356 4.899 50 0 HJAALO COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029332587 568824617 /nfs/dbraw/zinc/82/46/17/568824617.db2.gz CWOOGNYKYOGEAX-YWZLYKJASA-N 1 2 412.921 4.540 50 0 HJAALO O=C(/C=C/c1ccc(-c2ccccc2)s1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000029844202 568837877 /nfs/dbraw/zinc/83/78/77/568837877.db2.gz WKWHHJNVYVTOGH-WAEYIKQSSA-N 1 2 424.591 4.680 50 0 HJAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1Cl ZINC000001221537 568838849 /nfs/dbraw/zinc/83/88/49/568838849.db2.gz ZCSITGRAQSJXTM-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO CSCc1c2ccccc2oc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012535691 568845233 /nfs/dbraw/zinc/84/52/33/568845233.db2.gz SMIJHUGCQBQRJQ-LJQANCHMSA-N 1 2 409.486 4.688 50 0 HJAALO Cc1cc(Sc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccc(F)cc2)nc(C)n1 ZINC000012537623 568846161 /nfs/dbraw/zinc/84/61/61/568846161.db2.gz RLRPQPLQFGBXPA-OAHLLOKOSA-N 1 2 412.538 4.511 50 0 HJAALO C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S ZINC000012543843 568849347 /nfs/dbraw/zinc/84/93/47/568849347.db2.gz QGMKKECOCHJONX-UHFFFAOYSA-N 1 2 405.502 4.694 50 0 HJAALO C[N@H+](Cc1ccccc1)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S ZINC000012543843 568849348 /nfs/dbraw/zinc/84/93/48/568849348.db2.gz QGMKKECOCHJONX-UHFFFAOYSA-N 1 2 405.502 4.694 50 0 HJAALO COc1ccc([C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c2[nH+]ccn2C)cc1 ZINC000012547731 568851135 /nfs/dbraw/zinc/85/11/35/568851135.db2.gz IEXZRDGHJZSDEB-RTWAWAEBSA-N 1 2 411.933 4.728 50 0 HJAALO C[C@@H](c1nnc(SCC(=O)c2cc3ccccc3o2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000012564375 568859686 /nfs/dbraw/zinc/85/96/86/568859686.db2.gz RGOFPMYIIPBUSV-AWEZNQCLSA-N 1 2 424.501 4.750 50 0 HJAALO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](CCO)Cc2ccccc2)cc1Cl ZINC000003354085 568886258 /nfs/dbraw/zinc/88/62/58/568886258.db2.gz DDFYAVYBHVYDFS-HSZRJFAPSA-N 1 2 424.928 4.523 50 0 HJAALO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](CCO)Cc2ccccc2)cc1Cl ZINC000003354085 568886260 /nfs/dbraw/zinc/88/62/60/568886260.db2.gz DDFYAVYBHVYDFS-HSZRJFAPSA-N 1 2 424.928 4.523 50 0 HJAALO CCOC(=O)c1ccc2c(c1)nc(SCc1cn3cc(Cl)ccc3[nH+]1)n2CC ZINC000012655033 568906681 /nfs/dbraw/zinc/90/66/81/568906681.db2.gz CBNDRKGVXNRPOL-UHFFFAOYSA-N 1 2 414.918 4.826 50 0 HJAALO CC1CC[NH+](Cc2csc(NC(=O)c3cc(Br)ccc3F)n2)CC1 ZINC000012817314 568989732 /nfs/dbraw/zinc/98/97/32/568989732.db2.gz ITWJGQWCXYOXDM-UHFFFAOYSA-N 1 2 412.328 4.529 50 0 HJAALO COc1cc(C[N@@H+]2CCc3nc(Nc4ccccc4)ncc3C2)ccc1OC(C)C ZINC000015779270 569001667 /nfs/dbraw/zinc/00/16/67/569001667.db2.gz YAUMXFKOOZZASE-UHFFFAOYSA-N 1 2 404.514 4.574 50 0 HJAALO COc1cc(C[N@H+]2CCc3nc(Nc4ccccc4)ncc3C2)ccc1OC(C)C ZINC000015779270 569001668 /nfs/dbraw/zinc/00/16/68/569001668.db2.gz YAUMXFKOOZZASE-UHFFFAOYSA-N 1 2 404.514 4.574 50 0 HJAALO CCc1ccccc1S(=O)(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000015870680 569017482 /nfs/dbraw/zinc/01/74/82/569017482.db2.gz BNBUVJAXBIFQKM-UHFFFAOYSA-N 1 2 419.550 4.722 50 0 HJAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)ccc3Br)n2)C1 ZINC000012916380 569022313 /nfs/dbraw/zinc/02/23/13/569022313.db2.gz YTQFVYISIOGDAE-NSHDSACASA-N 1 2 412.328 4.529 50 0 HJAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)ccc3Br)n2)C1 ZINC000012916380 569022314 /nfs/dbraw/zinc/02/23/14/569022314.db2.gz YTQFVYISIOGDAE-NSHDSACASA-N 1 2 412.328 4.529 50 0 HJAALO Cc1nc(-n2cccn2)cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)[nH+]1 ZINC000035597363 569045704 /nfs/dbraw/zinc/04/57/04/569045704.db2.gz VHMHOHUAIRQLNW-UHFFFAOYSA-N 1 2 422.851 4.759 50 0 HJAALO O=C(Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1)Nc1ccccc1Cl ZINC000035598134 569045885 /nfs/dbraw/zinc/04/58/85/569045885.db2.gz QIPOIUSTSZYELA-UHFFFAOYSA-N 1 2 405.849 4.703 50 0 HJAALO CSc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4cc[nH+]c4)ncn3)cc2)c1 ZINC000035598149 569045889 /nfs/dbraw/zinc/04/58/89/569045889.db2.gz RDFGEXINPMQSEC-UHFFFAOYSA-N 1 2 417.498 4.772 50 0 HJAALO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000239328976 569054211 /nfs/dbraw/zinc/05/42/11/569054211.db2.gz JYMWFRDRGNBUEL-PXNSSMCTSA-N 1 2 420.509 4.608 50 0 HJAALO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000239328976 569054212 /nfs/dbraw/zinc/05/42/12/569054212.db2.gz JYMWFRDRGNBUEL-PXNSSMCTSA-N 1 2 420.509 4.608 50 0 HJAALO Cc1nc(N2CCN(C(=O)C[C@H](C)CC(C)(C)C)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000035769093 569058180 /nfs/dbraw/zinc/05/81/80/569058180.db2.gz KHRPEUYQHQNTBP-IBGZPJMESA-N 1 2 422.617 4.795 50 0 HJAALO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)NC3CC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073424 569086332 /nfs/dbraw/zinc/08/63/32/569086332.db2.gz QHBXSKBFSGOIAO-IBGZPJMESA-N 1 2 403.526 4.947 50 0 HJAALO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)NC3CC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073424 569086333 /nfs/dbraw/zinc/08/63/33/569086333.db2.gz QHBXSKBFSGOIAO-IBGZPJMESA-N 1 2 403.526 4.947 50 0 HJAALO Cc1ccc(C(=O)NCCn2c3ccccc3[nH+]c2CCc2ccccc2)cc1F ZINC000064887978 569115254 /nfs/dbraw/zinc/11/52/54/569115254.db2.gz FNEVHKFQTXIARX-UHFFFAOYSA-N 1 2 401.485 4.699 50 0 HJAALO CCc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NC3CC3)cc2)[nH+]1 ZINC000006802124 569129575 /nfs/dbraw/zinc/12/95/75/569129575.db2.gz PVJTYKGPHPNJID-UHFFFAOYSA-N 1 2 424.614 4.992 50 0 HJAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCSc3ccccc3)c2C1 ZINC000036393628 569168428 /nfs/dbraw/zinc/16/84/28/569168428.db2.gz FDLHJFDKUVSYHK-UHFFFAOYSA-N 1 2 405.567 4.525 50 0 HJAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCSc3ccccc3)c2C1 ZINC000036393628 569168430 /nfs/dbraw/zinc/16/84/30/569168430.db2.gz FDLHJFDKUVSYHK-UHFFFAOYSA-N 1 2 405.567 4.525 50 0 HJAALO Cc1oc2c(c1C(=O)N1CCC[C@H]1c1cccnc1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065291968 569217738 /nfs/dbraw/zinc/21/77/38/569217738.db2.gz GLFSNRFQYZGGPS-QFIPXVFZSA-N 1 2 419.500 4.658 50 0 HJAALO Cc1oc2c(c1C(=O)N1CCC[C@H]1c1cccnc1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065291968 569217740 /nfs/dbraw/zinc/21/77/40/569217740.db2.gz GLFSNRFQYZGGPS-QFIPXVFZSA-N 1 2 419.500 4.658 50 0 HJAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000007359881 569235031 /nfs/dbraw/zinc/23/50/31/569235031.db2.gz PFBHJRKGIJALSK-NRFANRHFSA-N 1 2 403.551 4.749 50 0 HJAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000007359881 569235033 /nfs/dbraw/zinc/23/50/33/569235033.db2.gz PFBHJRKGIJALSK-NRFANRHFSA-N 1 2 403.551 4.749 50 0 HJAALO COc1ccccc1-c1noc([C@@H](c2cccc(Br)c2)[NH+]2CCCC2)n1 ZINC000170615926 569247335 /nfs/dbraw/zinc/24/73/35/569247335.db2.gz DSFUJXBBIZPIPI-GOSISDBHSA-N 1 2 414.303 4.693 50 0 HJAALO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000013235567 569251110 /nfs/dbraw/zinc/25/11/10/569251110.db2.gz SUACDEUZPIEBSW-UHFFFAOYSA-N 1 2 414.615 4.614 50 0 HJAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[nH+]1 ZINC000017013307 569271713 /nfs/dbraw/zinc/27/17/13/569271713.db2.gz OOPFHAGCFXVJQR-UHFFFAOYSA-N 1 2 415.419 4.866 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000007717218 569301976 /nfs/dbraw/zinc/30/19/76/569301976.db2.gz HIDIHJCYNFVOPA-GOSISDBHSA-N 1 2 409.313 4.786 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000007717218 569301977 /nfs/dbraw/zinc/30/19/77/569301977.db2.gz HIDIHJCYNFVOPA-GOSISDBHSA-N 1 2 409.313 4.786 50 0 HJAALO Cc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000002447521 569401751 /nfs/dbraw/zinc/40/17/51/569401751.db2.gz YUAYUXGHUCUBGL-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO Cc1[nH]c2ccccc2c(=O)c1C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019793710 569429975 /nfs/dbraw/zinc/42/99/75/569429975.db2.gz TYXUOBQIDODTGH-UHFFFAOYSA-N 1 2 423.560 4.744 50 0 HJAALO Cc1nc(-n2cccc2)sc1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671589 571060514 /nfs/dbraw/zinc/06/05/14/571060514.db2.gz XOTVNAGAHUPKTA-UHFFFAOYSA-N 1 2 419.554 4.822 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009233443 571239781 /nfs/dbraw/zinc/23/97/81/571239781.db2.gz GNGNEEQRUMJSOV-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO Cc1ccc(Cl)cc1NC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000009478452 571261876 /nfs/dbraw/zinc/26/18/76/571261876.db2.gz LUMHWXFDYHDKMN-UHFFFAOYSA-N 1 2 423.929 4.567 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000009517767 571265376 /nfs/dbraw/zinc/26/53/76/571265376.db2.gz NTFPYXIOGYSGOS-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO COc1cc(OC)cc(C(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c1 ZINC000003626303 132267303 /nfs/dbraw/zinc/26/73/03/132267303.db2.gz AWDMAISWDWHFKO-UHFFFAOYSA-N 1 2 405.498 4.803 50 0 HJAALO COC(=O)c1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1 ZINC000032953790 522109258 /nfs/dbraw/zinc/10/92/58/522109258.db2.gz BNPJMQOIHYYFBE-UHFFFAOYSA-N 1 2 418.497 4.964 50 0 HJAALO COc1cc(OC)cc(C(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)c1 ZINC000032960926 522856326 /nfs/dbraw/zinc/85/63/26/522856326.db2.gz YMQKBMVCZGQVRL-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO COc1cc(OC)cc(C(=O)Nc2ccc(CCc3[nH]c4cc(C)ccc4[nH+]3)cc2)c1 ZINC000032960926 522856336 /nfs/dbraw/zinc/85/63/36/522856336.db2.gz YMQKBMVCZGQVRL-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO COc1ccc(CC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1OC ZINC000032960620 523908769 /nfs/dbraw/zinc/90/87/69/523908769.db2.gz BLRLEMRGVYTLTI-UHFFFAOYSA-N 1 2 415.493 4.547 50 0 HJAALO COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)c1[nH+]ccn1C ZINC000032802518 524739296 /nfs/dbraw/zinc/73/92/96/524739296.db2.gz CTZCARFWINPMPN-HTAPYJJXSA-N 1 2 406.530 4.702 50 0 HJAALO C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032907397 525352449 /nfs/dbraw/zinc/35/24/49/525352449.db2.gz FVVWPUWBSZNVQK-MRXNPFEDSA-N 1 2 416.506 4.677 50 0 HJAALO O=C(NCc1ccco1)[C@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCCC2)C1 ZINC000034900816 557481248 /nfs/dbraw/zinc/48/12/48/557481248.db2.gz GJNKNYYVUFXMDH-SFHVURJKSA-N 1 2 406.530 4.667 50 0 HJAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O ZINC000004794024 557598211 /nfs/dbraw/zinc/59/82/11/557598211.db2.gz FORWZMHKVUGVDT-UHFFFAOYSA-N 1 2 423.856 4.884 50 0 aggregator HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1)S2 ZINC000022853100 557839996 /nfs/dbraw/zinc/83/99/96/557839996.db2.gz VJBPNYPKZVWOSQ-OAHLLOKOSA-N 1 2 410.465 4.653 50 0 HJAALO CCOc1ccc(C[NH+]2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019790152 558282213 /nfs/dbraw/zinc/28/22/13/558282213.db2.gz RAMRQGODRLZYDI-UHFFFAOYSA-N 1 2 414.549 4.562 50 0 HJAALO CSc1nc2sc3c(c2c(N2CCC(Cc4ccccc4)CC2)n1)CC[N@H+](C)C3 ZINC000020394855 558359586 /nfs/dbraw/zinc/35/95/86/558359586.db2.gz TWXXYAADEDOHTD-UHFFFAOYSA-N 1 2 424.639 4.860 50 0 HJAALO CSc1nc2sc3c(c2c(N2CCC(Cc4ccccc4)CC2)n1)CC[N@@H+](C)C3 ZINC000020394855 558359587 /nfs/dbraw/zinc/35/95/87/558359587.db2.gz TWXXYAADEDOHTD-UHFFFAOYSA-N 1 2 424.639 4.860 50 0 HJAALO CC(C)Cc1ccc(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020421557 558361920 /nfs/dbraw/zinc/36/19/20/558361920.db2.gz LQLKKXZJZVVRIS-QGZVFWFLSA-N 1 2 419.491 4.692 50 0 HJAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000022789298 558511554 /nfs/dbraw/zinc/51/15/54/558511554.db2.gz VNNIZKVVMXJMLO-HXUWFJFHSA-N 1 2 417.528 4.638 50 0 HJAALO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000023908314 558581110 /nfs/dbraw/zinc/58/11/10/558581110.db2.gz BKTBVAMVIJFEDD-VFNWGFHPSA-N 1 2 421.447 4.965 50 0 HJAALO O=C(c1cc(-c2ccco2)nc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023995545 558584288 /nfs/dbraw/zinc/58/42/88/558584288.db2.gz HPESOBZBSHWAQA-UHFFFAOYSA-N 1 2 403.507 4.514 50 0 HJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)[nH+]1 ZINC000024023341 558584823 /nfs/dbraw/zinc/58/48/23/558584823.db2.gz AVNJLQUYGBNGHX-UHFFFAOYSA-N 1 2 401.514 4.998 50 0 HJAALO CC(=O)Nc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4[nH+]3)cc2)cc1 ZINC000024260972 558593660 /nfs/dbraw/zinc/59/36/60/558593660.db2.gz ZSWXEHGYTXEPSN-UHFFFAOYSA-N 1 2 416.506 4.837 50 0 HJAALO CCc1ccc(-c2csc(NC(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)n2)cc1 ZINC000072232574 558631109 /nfs/dbraw/zinc/63/11/09/558631109.db2.gz UHARWKULXBXPBB-QFIPXVFZSA-N 1 2 421.566 4.509 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3cccc(OC)c3)n(C)c2=S)cc1 ZINC000014188776 558632100 /nfs/dbraw/zinc/63/21/00/558632100.db2.gz ISCTWOLUTUBTBI-OAQYLSRUSA-N 1 2 424.570 4.820 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3cccc(OC)c3)n(C)c2=S)cc1 ZINC000014188776 558632102 /nfs/dbraw/zinc/63/21/02/558632102.db2.gz ISCTWOLUTUBTBI-OAQYLSRUSA-N 1 2 424.570 4.820 50 0 HJAALO C[C@H]1CCC[N@H+](Cn2nc(CSc3nc4ccccc4s3)n(C)c2=S)C1 ZINC000014200361 558636089 /nfs/dbraw/zinc/63/60/89/558636089.db2.gz ZXYLBYFJILHUCV-ZDUSSCGKSA-N 1 2 405.618 4.542 50 0 HJAALO C[C@H]1CCC[N@@H+](Cn2nc(CSc3nc4ccccc4s3)n(C)c2=S)C1 ZINC000014200361 558636092 /nfs/dbraw/zinc/63/60/92/558636092.db2.gz ZXYLBYFJILHUCV-ZDUSSCGKSA-N 1 2 405.618 4.542 50 0 HJAALO C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329152 558638183 /nfs/dbraw/zinc/63/81/83/558638183.db2.gz WJMIMXYRGJRXJX-IFXJQAMLSA-N 1 2 408.329 4.577 50 0 HJAALO CC[N@H+](CCCNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C)c1ccccc1 ZINC000025466845 558641933 /nfs/dbraw/zinc/64/19/33/558641933.db2.gz MVRWNVSZYRBIAA-UHFFFAOYSA-N 1 2 404.558 4.503 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C)c1ccccc1 ZINC000025466845 558641936 /nfs/dbraw/zinc/64/19/36/558641936.db2.gz MVRWNVSZYRBIAA-UHFFFAOYSA-N 1 2 404.558 4.503 50 0 HJAALO Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1NC(=O)c1ccccc1 ZINC000029045344 558708737 /nfs/dbraw/zinc/70/87/37/558708737.db2.gz QFTOOCHEQJHDLN-IBGZPJMESA-N 1 2 424.504 4.924 50 0 HJAALO Cn1cc[nH+]c1-c1ccc(NC(=O)CCCOc2ccc(Br)cc2)cc1 ZINC000072287413 558718325 /nfs/dbraw/zinc/71/83/25/558718325.db2.gz ZYXHDJCZDRRSIY-UHFFFAOYSA-N 1 2 414.303 4.647 50 0 HJAALO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(OC(C)C)cc2)C3)cc1 ZINC000015778923 558752928 /nfs/dbraw/zinc/75/29/28/558752928.db2.gz GSLMCMMLVQIGJQ-UHFFFAOYSA-N 1 2 404.514 4.574 50 0 HJAALO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(OC(C)C)cc2)C3)cc1 ZINC000015778923 558752931 /nfs/dbraw/zinc/75/29/31/558752931.db2.gz GSLMCMMLVQIGJQ-UHFFFAOYSA-N 1 2 404.514 4.574 50 0 HJAALO CN1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000022938207 558769867 /nfs/dbraw/zinc/76/98/67/558769867.db2.gz XBRPQWVDVWHLSI-QHCPKHFHSA-N 1 2 415.493 4.615 50 0 HJAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000022077870 558778882 /nfs/dbraw/zinc/77/88/82/558778882.db2.gz XJQRDLCKDSCUMI-QFIPXVFZSA-N 1 2 403.917 4.846 50 0 HJAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000022077870 558778885 /nfs/dbraw/zinc/77/88/85/558778885.db2.gz XJQRDLCKDSCUMI-QFIPXVFZSA-N 1 2 403.917 4.846 50 0 HJAALO COc1cc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000035615962 558794512 /nfs/dbraw/zinc/79/45/12/558794512.db2.gz CQVRETUGPSXFOE-UHFFFAOYSA-N 1 2 419.437 4.505 50 0 HJAALO Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3n2)cc1 ZINC000016638075 558797314 /nfs/dbraw/zinc/79/73/14/558797314.db2.gz RAECJSSINOWHMN-UHFFFAOYSA-N 1 2 408.505 4.568 50 0 HJAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)[nH+]1 ZINC000038488270 558811561 /nfs/dbraw/zinc/81/15/61/558811561.db2.gz JXNMXMABSOFDNE-UHFFFAOYSA-N 1 2 422.851 4.759 50 0 HJAALO Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2N2CC[NH+](C)CC2)c1C ZINC000004614705 558858655 /nfs/dbraw/zinc/85/86/55/558858655.db2.gz DSLDGGZOHKZUKQ-GYHWCHFESA-N 1 2 412.990 4.603 50 0 HJAALO C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071169 558866625 /nfs/dbraw/zinc/86/66/25/558866625.db2.gz SVOFPXNAHRFMQZ-MRXNPFEDSA-N 1 2 410.949 4.570 50 0 HJAALO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000019337613 558870561 /nfs/dbraw/zinc/87/05/61/558870561.db2.gz FQUCMFDYMHOGAO-UHFFFAOYSA-N 1 2 411.933 4.604 50 0 HJAALO Cc1ccc(N2CC[NH+](Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)cc1 ZINC000055142170 558873981 /nfs/dbraw/zinc/87/39/81/558873981.db2.gz YZBZUSSKOARKMO-UHFFFAOYSA-N 1 2 403.309 4.730 50 0 HJAALO Cc1cc(C)cc(S(=O)(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c1 ZINC000033116578 558877777 /nfs/dbraw/zinc/87/77/77/558877777.db2.gz IBAYXXGTHZYJST-UHFFFAOYSA-N 1 2 405.523 4.766 50 0 HJAALO O=S(=O)(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccccc1Cl ZINC000033116569 558877877 /nfs/dbraw/zinc/87/78/77/558877877.db2.gz JPPPBPQXAQEHLM-UHFFFAOYSA-N 1 2 411.914 4.802 50 0 HJAALO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000058169943 558907841 /nfs/dbraw/zinc/90/78/41/558907841.db2.gz KSZSJULFRQFJHY-DEOSSOPVSA-N 1 2 404.558 4.531 50 0 HJAALO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000058169943 558907843 /nfs/dbraw/zinc/90/78/43/558907843.db2.gz KSZSJULFRQFJHY-DEOSSOPVSA-N 1 2 404.558 4.531 50 0 HJAALO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NC2CCCCCCC2)cc1 ZINC000058175507 558909510 /nfs/dbraw/zinc/90/95/10/558909510.db2.gz LIYRCCVDAKDKAI-UHFFFAOYSA-N 1 2 412.578 4.997 50 0 HJAALO O=C(NCCn1c(CCc2ccccc2)[nH+]c2ccccc21)Nc1ccc(F)cc1 ZINC000033252152 558920226 /nfs/dbraw/zinc/92/02/26/558920226.db2.gz NXEGORHPEHGFOU-UHFFFAOYSA-N 1 2 402.473 4.782 50 0 HJAALO O=C(NCCn1c(CCc2ccccc2)[nH+]c2ccccc21)Nc1ccc(F)cc1F ZINC000033252163 558920445 /nfs/dbraw/zinc/92/04/45/558920445.db2.gz GORTVGZWSZGZLJ-UHFFFAOYSA-N 1 2 420.463 4.921 50 0 HJAALO Cc1cc(N2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)[nH+]c2ccccc12 ZINC000072463723 558983349 /nfs/dbraw/zinc/98/33/49/558983349.db2.gz CORTZHUEIWAUQB-VWLOTQADSA-N 1 2 403.501 4.701 50 0 HJAALO O=C1C[C@@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000100120815 559130061 /nfs/dbraw/zinc/13/00/61/559130061.db2.gz ATVMFVIQGSWNBZ-JOCHJYFZSA-N 1 2 414.530 4.528 50 0 HJAALO O=C1C[C@@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000100120815 559130063 /nfs/dbraw/zinc/13/00/63/559130063.db2.gz ATVMFVIQGSWNBZ-JOCHJYFZSA-N 1 2 414.530 4.528 50 0 HJAALO Cc1ccc(/N=c2/scc(-c3ccc(Cl)cc3)n2CC[NH+]2CCOCC2)cc1 ZINC000100138452 559130355 /nfs/dbraw/zinc/13/03/55/559130355.db2.gz XIIWAEDVLLVDQE-ZNTNEXAZSA-N 1 2 413.974 4.743 50 0 HJAALO O=C(c1ccc(F)c(F)c1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023322349 559135323 /nfs/dbraw/zinc/13/53/23/559135323.db2.gz JDURHNCXURFEOE-HSZRJFAPSA-N 1 2 410.439 4.651 50 0 HJAALO CC(C)(C)c1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000005499809 560598399 /nfs/dbraw/zinc/59/83/99/560598399.db2.gz ICWFQXMMQGGHFM-UHFFFAOYSA-N 1 2 417.538 4.844 50 0 HJAALO CCC(=O)N1CCN(c2nc([C@H](C)CC)[nH+]c(C)c2Cc2cc(C)ccc2C)CC1 ZINC000096316962 560848807 /nfs/dbraw/zinc/84/88/07/560848807.db2.gz UZZGJIMSAWKAOS-GOSISDBHSA-N 1 2 408.590 4.565 50 0 HJAALO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000048287727 568434682 /nfs/dbraw/zinc/43/46/82/568434682.db2.gz MADYJYYBVLXRNW-UHFFFAOYSA-N 1 2 424.287 4.802 50 0 HJAALO Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CC[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)C3 ZINC000049003157 568446336 /nfs/dbraw/zinc/44/63/36/568446336.db2.gz IPVIJBLLNNHULD-UHFFFAOYSA-N 1 2 423.944 4.610 50 0 HJAALO Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CC[N@H+](CC(=O)Nc1ccc(C(C)C)cc1)C3 ZINC000049003157 568446337 /nfs/dbraw/zinc/44/63/37/568446337.db2.gz IPVIJBLLNNHULD-UHFFFAOYSA-N 1 2 423.944 4.610 50 0 HJAALO C[N@@H+]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020813562 568644266 /nfs/dbraw/zinc/64/42/66/568644266.db2.gz IDYGCWRJGYZLCI-UHFFFAOYSA-N 1 2 419.575 4.727 50 0 HJAALO C[N@H+]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020813562 568644267 /nfs/dbraw/zinc/64/42/67/568644267.db2.gz IDYGCWRJGYZLCI-UHFFFAOYSA-N 1 2 419.575 4.727 50 0 HJAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096316824 568726029 /nfs/dbraw/zinc/72/60/29/568726029.db2.gz LAGQHPHYWOHPRD-UHFFFAOYSA-N 1 2 420.601 4.510 50 0 HJAALO Cc1ccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000096317320 568726451 /nfs/dbraw/zinc/72/64/51/568726451.db2.gz NCJJBRYABAKAJK-UHFFFAOYSA-N 1 2 422.617 4.577 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C)c(C)c4)C3)no2)cc1 ZINC000021724855 568751237 /nfs/dbraw/zinc/75/12/37/568751237.db2.gz UMRKIXOCSFJGEF-FQEVSTJZSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C)c(C)c4)C3)no2)cc1 ZINC000021724855 568751238 /nfs/dbraw/zinc/75/12/38/568751238.db2.gz UMRKIXOCSFJGEF-FQEVSTJZSA-N 1 2 404.514 4.513 50 0 HJAALO S=c1oc(-c2cc(-c3ccccn3)nc3ccccc32)nn1C[NH+]1CCCCC1 ZINC000002637157 568792453 /nfs/dbraw/zinc/79/24/53/568792453.db2.gz IDZKFEVSHTWSRA-UHFFFAOYSA-N 1 2 403.511 4.926 50 0 HJAALO O=C(CCCOc1ccc(Cl)cc1Cl)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000012556900 568856053 /nfs/dbraw/zinc/85/60/53/568856053.db2.gz HVUPWNOLVKQHNR-UHFFFAOYSA-N 1 2 412.704 4.770 50 0 HJAALO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@H+](Cc3ccccc3)C(C)C)c2c1 ZINC000003243589 568866712 /nfs/dbraw/zinc/86/67/12/568866712.db2.gz RTZAASNDGBJFCQ-UHFFFAOYSA-N 1 2 404.557 4.625 50 0 HJAALO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](Cc3ccccc3)C(C)C)c2c1 ZINC000003243589 568866713 /nfs/dbraw/zinc/86/67/13/568866713.db2.gz RTZAASNDGBJFCQ-UHFFFAOYSA-N 1 2 404.557 4.625 50 0 HJAALO COC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658755 568867034 /nfs/dbraw/zinc/86/70/34/568867034.db2.gz SSQYQQITSVGRBC-OAHLLOKOSA-N 1 2 419.506 4.750 50 0 HJAALO C[C@H](c1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000003376564 568891282 /nfs/dbraw/zinc/89/12/82/568891282.db2.gz KDVJWHSZIAAVNW-CYBMUJFWSA-N 1 2 418.925 4.657 50 0 HJAALO C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000003376220 568891338 /nfs/dbraw/zinc/89/13/38/568891338.db2.gz HSSGSUOZYDUZBF-LSDHHAIUSA-N 1 2 414.962 4.907 50 0 HJAALO CCOc1ccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012780850 568957725 /nfs/dbraw/zinc/95/77/25/568957725.db2.gz OBUIMZKEMYIYMS-CQSZACIVSA-N 1 2 409.511 4.836 50 0 HJAALO CCOc1ccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012780850 568957728 /nfs/dbraw/zinc/95/77/28/568957728.db2.gz OBUIMZKEMYIYMS-CQSZACIVSA-N 1 2 409.511 4.836 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000008118063 568974318 /nfs/dbraw/zinc/97/43/18/568974318.db2.gz HZZZUOOPVXPHKS-SFHVURJKSA-N 1 2 408.716 4.829 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000008162426 568979209 /nfs/dbraw/zinc/97/92/09/568979209.db2.gz PGIMBXLFXUMACA-RUZDIDTESA-N 1 2 417.578 4.935 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000008162426 568979212 /nfs/dbraw/zinc/97/92/12/568979212.db2.gz PGIMBXLFXUMACA-RUZDIDTESA-N 1 2 417.578 4.935 50 0 HJAALO Cc1ccc(-c2csc3ncnc(Sc4nnc(C[NH+]5CCCC5)o4)c23)cc1 ZINC000008201105 568982579 /nfs/dbraw/zinc/98/25/79/568982579.db2.gz IEMAEQHFQPDUOW-UHFFFAOYSA-N 1 2 409.540 4.797 50 0 HJAALO O=C(Nc1cccc(Oc2ccccc2)c1)c1ccnc(NCCCn2cc[nH+]c2)c1 ZINC000085391920 568984207 /nfs/dbraw/zinc/98/42/07/568984207.db2.gz KGXJKZGBVQYERZ-UHFFFAOYSA-N 1 2 413.481 4.825 50 0 HJAALO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310298 568988467 /nfs/dbraw/zinc/98/84/67/568988467.db2.gz JFZUEQPQCXWPCW-LJQANCHMSA-N 1 2 400.906 4.585 50 0 HJAALO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310298 568988469 /nfs/dbraw/zinc/98/84/69/568988469.db2.gz JFZUEQPQCXWPCW-LJQANCHMSA-N 1 2 400.906 4.585 50 0 HJAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1Cl ZINC000008310366 568988509 /nfs/dbraw/zinc/98/85/09/568988509.db2.gz UGPGYMCPULLOHG-SFHVURJKSA-N 1 2 421.324 4.930 50 0 HJAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1Cl ZINC000008310366 568988512 /nfs/dbraw/zinc/98/85/12/568988512.db2.gz UGPGYMCPULLOHG-SFHVURJKSA-N 1 2 421.324 4.930 50 0 HJAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000008310335 568988526 /nfs/dbraw/zinc/98/85/26/568988526.db2.gz QBLGLAHFWSZKOP-IBGZPJMESA-N 1 2 400.906 4.585 50 0 HJAALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000008310335 568988527 /nfs/dbraw/zinc/98/85/27/568988527.db2.gz QBLGLAHFWSZKOP-IBGZPJMESA-N 1 2 400.906 4.585 50 0 HJAALO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000008310562 568988812 /nfs/dbraw/zinc/98/88/12/568988812.db2.gz JVDUGDMXRCQRDC-IBGZPJMESA-N 1 2 414.933 4.894 50 0 HJAALO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000008310562 568988813 /nfs/dbraw/zinc/98/88/13/568988813.db2.gz JVDUGDMXRCQRDC-IBGZPJMESA-N 1 2 414.933 4.894 50 0 HJAALO O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccco1 ZINC000015859297 569015116 /nfs/dbraw/zinc/01/51/16/569015116.db2.gz ASRZTWLUPSQXKZ-QFIPXVFZSA-N 1 2 402.450 4.700 50 0 HJAALO COc1ccc(C(=O)Nc2cccc(CCc3[nH]c4ccc(C)cc4[nH+]3)c2)cc1OC ZINC000015863576 569016190 /nfs/dbraw/zinc/01/61/90/569016190.db2.gz VAXRPLKDFIMEGN-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO COc1ccc(C(=O)Nc2cccc(CCc3[nH]c4cc(C)ccc4[nH+]3)c2)cc1OC ZINC000015863576 569016191 /nfs/dbraw/zinc/01/61/91/569016191.db2.gz VAXRPLKDFIMEGN-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO COc1ccc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)[nH+]c3c2)cc1OC ZINC000015863847 569016293 /nfs/dbraw/zinc/01/62/93/569016293.db2.gz XLIIHEXYKSBICO-UHFFFAOYSA-N 1 2 401.466 4.618 50 0 HJAALO CCc1ccc([C@H]([NH2+][C@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012909384 569021781 /nfs/dbraw/zinc/02/17/81/569021781.db2.gz WKFQPRPZMMNQED-ZEQRLZLVSA-N 1 2 420.578 4.590 50 0 HJAALO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000239328977 569054224 /nfs/dbraw/zinc/05/42/24/569054224.db2.gz JYMWFRDRGNBUEL-XLIONFOSSA-N 1 2 420.509 4.608 50 0 HJAALO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000239328977 569054225 /nfs/dbraw/zinc/05/42/25/569054225.db2.gz JYMWFRDRGNBUEL-XLIONFOSSA-N 1 2 420.509 4.608 50 0 HJAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccccc4F)CC3)c2c(C)c1Cl ZINC000054105988 569057567 /nfs/dbraw/zinc/05/75/67/569057567.db2.gz UNSIBKJXUYHJSP-UHFFFAOYSA-N 1 2 400.881 4.525 50 0 HJAALO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591235 569060181 /nfs/dbraw/zinc/06/01/81/569060181.db2.gz DQZANKNRDMSXIM-NXEZZACHSA-N 1 2 402.766 4.960 50 0 HJAALO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591235 569060182 /nfs/dbraw/zinc/06/01/82/569060182.db2.gz DQZANKNRDMSXIM-NXEZZACHSA-N 1 2 402.766 4.960 50 0 HJAALO Cc1[nH+]c2ccc(Br)cc2c2c1C[C@@H]([C@](C)(Cl)Br)O2 ZINC000003983857 569060778 /nfs/dbraw/zinc/06/07/78/569060778.db2.gz CVHUBQBRMHLQCZ-JSGCOSHPSA-N 1 2 405.517 4.959 50 0 biogenic HJAALO Cc1cccc(C)c1NC(=O)CCCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000006589369 569068070 /nfs/dbraw/zinc/06/80/70/569068070.db2.gz SUXBQJWGHNHYLR-UHFFFAOYSA-N 1 2 417.538 4.943 50 0 HJAALO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104210 569092401 /nfs/dbraw/zinc/09/24/01/569092401.db2.gz ACIHCTHQKSUFBC-QFIPXVFZSA-N 1 2 415.455 4.854 50 0 HJAALO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104210 569092402 /nfs/dbraw/zinc/09/24/02/569092402.db2.gz ACIHCTHQKSUFBC-QFIPXVFZSA-N 1 2 415.455 4.854 50 0 HJAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000036104863 569092556 /nfs/dbraw/zinc/09/25/56/569092556.db2.gz CAGJIBIIVMKPNX-YZVOILCLSA-N 1 2 414.575 4.525 50 0 HJAALO C[C@@H](c1cccs1)[N@H+](C)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000036396661 569169767 /nfs/dbraw/zinc/16/97/67/569169767.db2.gz UXJNTUWHWPHGDC-HNNXBMFYSA-N 1 2 411.556 4.829 50 0 HJAALO C[C@@H](c1cccs1)[N@@H+](C)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000036396661 569169768 /nfs/dbraw/zinc/16/97/68/569169768.db2.gz UXJNTUWHWPHGDC-HNNXBMFYSA-N 1 2 411.556 4.829 50 0 HJAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013324851 569254984 /nfs/dbraw/zinc/25/49/84/569254984.db2.gz WAFXCPGZBPNRIP-UHFFFAOYSA-N 1 2 413.827 4.835 50 0 HJAALO CCCCC[N@@H+](Cc1ccc(F)cc1)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C ZINC000252457383 569286589 /nfs/dbraw/zinc/28/65/89/569286589.db2.gz DNTUVPFPJQMNAZ-QZTJIDSGSA-N 1 2 403.542 4.522 50 0 HJAALO CCCCC[N@H+](Cc1ccc(F)cc1)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C ZINC000252457383 569286590 /nfs/dbraw/zinc/28/65/90/569286590.db2.gz DNTUVPFPJQMNAZ-QZTJIDSGSA-N 1 2 403.542 4.522 50 0 HJAALO Cc1cc2[nH+]c(Cc3ccccc3Cl)n(CC(=O)NCc3ccco3)c2cc1C ZINC000037397635 569296747 /nfs/dbraw/zinc/29/67/47/569296747.db2.gz SAWHLPNKMHZGBO-UHFFFAOYSA-N 1 2 407.901 4.807 50 0 HJAALO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)cc(Br)c1O ZINC000253432447 569369866 /nfs/dbraw/zinc/36/98/66/569369866.db2.gz ZPBLGDFDVPZJGI-MRXNPFEDSA-N 1 2 410.308 4.630 50 0 HJAALO CCOc1cc(C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)cc(Br)c1O ZINC000253432447 569369868 /nfs/dbraw/zinc/36/98/68/569369868.db2.gz ZPBLGDFDVPZJGI-MRXNPFEDSA-N 1 2 410.308 4.630 50 0 HJAALO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)Cn2ccc3ccccc32)CC1 ZINC000038671739 571060761 /nfs/dbraw/zinc/06/07/61/571060761.db2.gz RPGASXFCEDMJJD-UHFFFAOYSA-N 1 2 400.526 4.618 50 0 HJAALO Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000040145185 571195322 /nfs/dbraw/zinc/19/53/22/571195322.db2.gz NHLSHCMYOIKCBV-UHFFFAOYSA-N 1 2 423.586 4.522 50 0 HJAALO Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000040145185 571195324 /nfs/dbraw/zinc/19/53/24/571195324.db2.gz NHLSHCMYOIKCBV-UHFFFAOYSA-N 1 2 423.586 4.522 50 0 HJAALO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000040153568 571200843 /nfs/dbraw/zinc/20/08/43/571200843.db2.gz NYCXYLPFLAMEEU-SFHVURJKSA-N 1 2 420.948 4.667 50 0 HJAALO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000040153568 571200845 /nfs/dbraw/zinc/20/08/45/571200845.db2.gz NYCXYLPFLAMEEU-SFHVURJKSA-N 1 2 420.948 4.667 50 0 HJAALO Cc1ccc(C)c(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000009517668 571265330 /nfs/dbraw/zinc/26/53/30/571265330.db2.gz GPUZJFOQUNENBZ-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)c(C)c1 ZINC000009517669 571265372 /nfs/dbraw/zinc/26/53/72/571265372.db2.gz GXVTXHINMFROIX-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1NC(=O)c1ccco1 ZINC000009549698 571268126 /nfs/dbraw/zinc/26/81/26/571268126.db2.gz RLMNMUXPDNZFCC-QGZVFWFLSA-N 1 2 414.465 4.517 50 0 HJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)n1 ZINC000009573420 571269255 /nfs/dbraw/zinc/26/92/55/571269255.db2.gz KJALVWDJJAGTOY-UHFFFAOYSA-N 1 2 419.529 4.565 50 0 HJAALO Clc1ccc(-c2nc3ccccc3c(N3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000009527092 132340541 /nfs/dbraw/zinc/34/05/41/132340541.db2.gz SBHYHQHWJJUVDK-UHFFFAOYSA-N 1 2 401.901 4.672 50 0 HJAALO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](C(=O)c3cccnc3)C2)c(C)o1 ZINC000020539966 521438939 /nfs/dbraw/zinc/43/89/39/521438939.db2.gz SAOODQBQXCYFRJ-IBGZPJMESA-N 1 2 405.498 4.539 50 0 HJAALO CCOc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C(=O)c3cccnc3)C2)c(C)o1 ZINC000020539966 521438944 /nfs/dbraw/zinc/43/89/44/521438944.db2.gz SAOODQBQXCYFRJ-IBGZPJMESA-N 1 2 405.498 4.539 50 0 HJAALO COc1cc(Br)c(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1OC ZINC000025363717 522021493 /nfs/dbraw/zinc/02/14/93/522021493.db2.gz IZKUFMGAQONHCX-NRFANRHFSA-N 1 2 413.315 4.741 50 0 HJAALO COc1ccc(-c2nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)co2)cc1 ZINC000032906038 523202808 /nfs/dbraw/zinc/20/28/08/523202808.db2.gz BLPLUOWKNJYVDV-UHFFFAOYSA-N 1 2 417.431 4.691 50 0 HJAALO COc1ccc(N2C(=O)c3ccccc3/C(=C/[N@H+](C)Cc3ccc(C)cc3)C2=O)cc1 ZINC000032714695 524399685 /nfs/dbraw/zinc/39/96/85/524399685.db2.gz FWZIMODCCGCIHD-ULJHMMPZSA-N 1 2 412.489 4.664 50 0 HJAALO COc1ccc(N2C(=O)c3ccccc3/C(=C/[N@@H+](C)Cc3ccc(C)cc3)C2=O)cc1 ZINC000032714695 524399692 /nfs/dbraw/zinc/39/96/92/524399692.db2.gz FWZIMODCCGCIHD-ULJHMMPZSA-N 1 2 412.489 4.664 50 0 HJAALO COc1ccccc1[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1[nH+]ccn1C ZINC000032764549 524737330 /nfs/dbraw/zinc/73/73/30/524737330.db2.gz GQBFXCQKDNCEFB-HXUWFJFHSA-N 1 2 418.324 4.574 50 0 HJAALO Cc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1Cl ZINC000032953835 525185689 /nfs/dbraw/zinc/18/56/89/525185689.db2.gz ZXFFRSIBIPIVOX-UHFFFAOYSA-N 1 2 410.905 4.986 50 0 HJAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)N[C@@H]1CCCc2ccccc21 ZINC000032752902 527091684 /nfs/dbraw/zinc/09/16/84/527091684.db2.gz ZIUVRQGQBJVDHT-GOSISDBHSA-N 1 2 406.486 4.536 50 0 HJAALO CC[C@H](C)C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022632807 557298833 /nfs/dbraw/zinc/29/88/33/557298833.db2.gz MHEQRTSHOXGDLA-UWJYYQICSA-N 1 2 415.375 4.729 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[N@@H+]1CCc3ccccc3C1)S2 ZINC000022855069 557842082 /nfs/dbraw/zinc/84/20/82/557842082.db2.gz FXLQCVWIVIACAT-FQEVSTJZSA-N 1 2 404.539 4.515 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[N@H+]1CCc3ccccc3C1)S2 ZINC000022855069 557842084 /nfs/dbraw/zinc/84/20/84/557842084.db2.gz FXLQCVWIVIACAT-FQEVSTJZSA-N 1 2 404.539 4.515 50 0 HJAALO O[C@H](CSc1cccs1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019834689 558292174 /nfs/dbraw/zinc/29/21/74/558292174.db2.gz BSQCPSUSGDEXDQ-QFIPXVFZSA-N 1 2 424.635 4.608 50 0 HJAALO Cc1nc2ccccn2c1C[N@H+](C)Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000011936502 558300513 /nfs/dbraw/zinc/30/05/13/558300513.db2.gz IREQFWMSHBCYGA-UHFFFAOYSA-N 1 2 424.888 4.620 50 0 HJAALO Cc1nc2ccccn2c1C[N@@H+](C)Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000011936502 558300515 /nfs/dbraw/zinc/30/05/15/558300515.db2.gz IREQFWMSHBCYGA-UHFFFAOYSA-N 1 2 424.888 4.620 50 0 HJAALO O=c1nc(Cc2ccc(Cl)cc2)[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000019926522 558307872 /nfs/dbraw/zinc/30/78/72/558307872.db2.gz IDQDWCZGHATXNO-UHFFFAOYSA-N 1 2 421.953 4.787 50 0 HJAALO O=c1nc(Cc2ccc(Cl)cc2)[nH]c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000019926522 558307875 /nfs/dbraw/zinc/30/78/75/558307875.db2.gz IDQDWCZGHATXNO-UHFFFAOYSA-N 1 2 421.953 4.787 50 0 HJAALO Cc1ccccc1-c1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000012242518 558360732 /nfs/dbraw/zinc/36/07/32/558360732.db2.gz DXOLHDDLZHXMOA-FQEVSTJZSA-N 1 2 411.509 4.591 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2nccs2)c(F)c1 ZINC000012315661 558379134 /nfs/dbraw/zinc/37/91/34/558379134.db2.gz NGSPLRUNKBKHMK-UHFFFAOYSA-N 1 2 408.502 4.776 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2nccs2)c(F)c1 ZINC000012315661 558379136 /nfs/dbraw/zinc/37/91/36/558379136.db2.gz NGSPLRUNKBKHMK-UHFFFAOYSA-N 1 2 408.502 4.776 50 0 HJAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000020623945 558394691 /nfs/dbraw/zinc/39/46/91/558394691.db2.gz IVSZWCOALSNJEN-UHFFFAOYSA-N 1 2 413.477 4.579 50 0 HJAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)Cc2nonc2C)c(C)s1 ZINC000020994361 558426472 /nfs/dbraw/zinc/42/64/72/558426472.db2.gz JZXWAXOPHNEXKY-UHFFFAOYSA-N 1 2 411.506 4.680 50 0 HJAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)Cc2nonc2C)c(C)s1 ZINC000020994361 558426474 /nfs/dbraw/zinc/42/64/74/558426474.db2.gz JZXWAXOPHNEXKY-UHFFFAOYSA-N 1 2 411.506 4.680 50 0 HJAALO CSc1ncc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCC4)cc2)n1-c1ccccc1 ZINC000012628697 558440830 /nfs/dbraw/zinc/44/08/30/558440830.db2.gz YUJPOSGGIIJFKM-UHFFFAOYSA-N 1 2 415.522 4.656 50 0 HJAALO C[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccc(Oc2ccccc2)cc1 ZINC000012704882 558449590 /nfs/dbraw/zinc/44/95/90/558449590.db2.gz LYOUOBOULSVDAK-UHFFFAOYSA-N 1 2 415.449 4.890 50 0 HJAALO C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccc(Oc2ccccc2)cc1 ZINC000012704882 558449594 /nfs/dbraw/zinc/44/95/94/558449594.db2.gz LYOUOBOULSVDAK-UHFFFAOYSA-N 1 2 415.449 4.890 50 0 HJAALO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccc(Cl)s1 ZINC000022062441 558460765 /nfs/dbraw/zinc/46/07/65/558460765.db2.gz HFZKBLXMGKHLLG-UHFFFAOYSA-N 1 2 408.148 4.888 50 0 HJAALO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccc(Cl)s1 ZINC000022062441 558460767 /nfs/dbraw/zinc/46/07/67/558460767.db2.gz HFZKBLXMGKHLLG-UHFFFAOYSA-N 1 2 408.148 4.888 50 0 HJAALO Cc1nc2sc3c(c2c(NC[C@H](c2c(F)cccc2Cl)[NH+](C)C)n1)CCC3 ZINC000013040023 558506593 /nfs/dbraw/zinc/50/65/93/558506593.db2.gz RWGWHSBAODFTEA-OAHLLOKOSA-N 1 2 404.942 4.996 50 0 HJAALO C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000023873051 558578909 /nfs/dbraw/zinc/57/89/09/558578909.db2.gz VNGUSSDYXGOPJD-CPJSRVTESA-N 1 2 400.522 4.545 50 0 HJAALO Cc1cccc(OCCSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000004490721 558609610 /nfs/dbraw/zinc/60/96/10/558609610.db2.gz BQTKSNDBCQIXQU-MRXNPFEDSA-N 1 2 400.523 4.509 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c1 ZINC000014185879 558630764 /nfs/dbraw/zinc/63/07/64/558630764.db2.gz SBODZJISCUCEIZ-FQEVSTJZSA-N 1 2 424.570 4.738 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c1 ZINC000014185879 558630765 /nfs/dbraw/zinc/63/07/65/558630765.db2.gz SBODZJISCUCEIZ-FQEVSTJZSA-N 1 2 424.570 4.738 50 0 HJAALO CCCc1nc(Sc2nc(C[NH+]3CCC(C)CC3)nc3sc(C)c(C)c32)n[nH]1 ZINC000025152057 558632941 /nfs/dbraw/zinc/63/29/41/558632941.db2.gz WLGBITMLEKEATL-UHFFFAOYSA-N 1 2 416.620 4.762 50 0 HJAALO Fc1ccccc1[C@H]1C2=C([NH+]=C3N=CNN31)c1ccccc1O[C@@H]2c1cccs1 ZINC000025783654 558650121 /nfs/dbraw/zinc/65/01/21/558650121.db2.gz RFEFCBMGQFGPPN-LEWJYISDSA-N 1 2 402.454 4.691 50 0 HJAALO COC[C@@H](C)n1c(COc2ccccc2F)nn(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1=S ZINC000014359278 558653061 /nfs/dbraw/zinc/65/30/61/558653061.db2.gz PVOVWDJZOPIROK-IXDOHACOSA-N 1 2 422.570 4.560 50 0 HJAALO COC[C@@H](C)n1c(COc2ccccc2F)nn(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1=S ZINC000014359278 558653064 /nfs/dbraw/zinc/65/30/64/558653064.db2.gz PVOVWDJZOPIROK-IXDOHACOSA-N 1 2 422.570 4.560 50 0 HJAALO Fc1ccc(-n2ncc3c2nc[nH+]c3SCc2coc(-c3ccccc3)n2)cc1 ZINC000014803956 558673548 /nfs/dbraw/zinc/67/35/48/558673548.db2.gz MMSFPEGODRWFIZ-UHFFFAOYSA-N 1 2 403.442 4.902 50 0 HJAALO C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027680465 558680234 /nfs/dbraw/zinc/68/02/34/558680234.db2.gz NCZYJLQBDKPFQF-GOSISDBHSA-N 1 2 410.477 4.616 50 0 HJAALO CC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)c1 ZINC000028268169 558694097 /nfs/dbraw/zinc/69/40/97/558694097.db2.gz IDNBSCNTAFVIEO-UHFFFAOYSA-N 1 2 416.506 4.837 50 0 HJAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000030630654 558734591 /nfs/dbraw/zinc/73/45/91/558734591.db2.gz JLSUJAHXVJMUQQ-OAQYLSRUSA-N 1 2 417.534 4.808 50 0 HJAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000030630654 558734594 /nfs/dbraw/zinc/73/45/94/558734594.db2.gz JLSUJAHXVJMUQQ-OAQYLSRUSA-N 1 2 417.534 4.808 50 0 HJAALO CN1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000022938210 558769905 /nfs/dbraw/zinc/76/99/05/558769905.db2.gz XBRPQWVDVWHLSI-HSZRJFAPSA-N 1 2 415.493 4.615 50 0 HJAALO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cs1 ZINC000072309168 558772272 /nfs/dbraw/zinc/77/22/72/558772272.db2.gz TYYZHRJASOZBNC-OAQYLSRUSA-N 1 2 423.607 4.923 50 0 HJAALO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cs1 ZINC000072309168 558772275 /nfs/dbraw/zinc/77/22/75/558772275.db2.gz TYYZHRJASOZBNC-OAQYLSRUSA-N 1 2 423.607 4.923 50 0 HJAALO O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)c1cccc(CN2CCCC2=O)c1 ZINC000072310005 558778665 /nfs/dbraw/zinc/77/86/65/558778665.db2.gz XIKNZOLXXAYMQA-UHFFFAOYSA-N 1 2 416.525 4.985 50 0 HJAALO COc1ccc2cc(-c3cc(C(=O)NCc4c[nH+]c[nH]4)c4ccccc4n3)ccc2c1 ZINC000072311447 558783983 /nfs/dbraw/zinc/78/39/83/558783983.db2.gz XBWSDAZEMIDCKT-UHFFFAOYSA-N 1 2 408.461 4.717 50 0 HJAALO COc1ccc2cc(-c3cc(C(=O)NCc4c[nH]c[nH+]4)c4ccccc4n3)ccc2c1 ZINC000072311447 558783985 /nfs/dbraw/zinc/78/39/85/558783985.db2.gz XBWSDAZEMIDCKT-UHFFFAOYSA-N 1 2 408.461 4.717 50 0 HJAALO CCCCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034909960 558787563 /nfs/dbraw/zinc/78/75/63/558787563.db2.gz WFCUICWVLUFGCS-LJQANCHMSA-N 1 2 404.558 4.930 50 0 HJAALO O=C(N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1ccc(C2SCCCS2)cc1 ZINC000010644189 558836549 /nfs/dbraw/zinc/83/65/49/558836549.db2.gz JLZWJTLOBCNKRG-IBGZPJMESA-N 1 2 409.580 4.992 50 0 HJAALO Cc1cc(S(=O)(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)ccc1F ZINC000033116562 558877839 /nfs/dbraw/zinc/87/78/39/558877839.db2.gz VYPMBMHWTXXZCI-UHFFFAOYSA-N 1 2 409.486 4.596 50 0 HJAALO CCc1[nH+]c2ccccc2n1Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000097164482 558998431 /nfs/dbraw/zinc/99/84/31/558998431.db2.gz MMKMQFPFDBJANQ-UHFFFAOYSA-N 1 2 404.470 4.751 50 0 HJAALO Cc1ccccc1C(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023321436 559126242 /nfs/dbraw/zinc/12/62/42/559126242.db2.gz XCVKGBGXXXMXNF-UHFFFAOYSA-N 1 2 406.476 4.821 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc2c(s1)CCCC2 ZINC000014241160 559161666 /nfs/dbraw/zinc/16/16/66/559161666.db2.gz WZLUCQRBRXYGDV-UHFFFAOYSA-N 1 2 409.580 4.894 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc2c(s1)CCCC2 ZINC000014241160 559161668 /nfs/dbraw/zinc/16/16/68/559161668.db2.gz WZLUCQRBRXYGDV-UHFFFAOYSA-N 1 2 409.580 4.894 50 0 HJAALO Cc1ccc(F)c(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1F ZINC000023332684 559171370 /nfs/dbraw/zinc/17/13/70/559171370.db2.gz CCGCUONYRFDLCQ-XMMPIXPASA-N 1 2 424.466 4.960 50 0 HJAALO Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1NC=NC1=[NH+]2 ZINC000005055146 559237511 /nfs/dbraw/zinc/23/75/11/559237511.db2.gz VTYVIMHYEBTTCM-NHCUHLMSSA-N 1 2 402.454 4.691 50 0 HJAALO Cc1ccc(/N=c2\scc(-c3cccs3)n2CCC[NH+]2CCOCC2)c(C)c1 ZINC000005298941 560564023 /nfs/dbraw/zinc/56/40/23/560564023.db2.gz DQHWHYOHECWVJG-FCQUAONHSA-N 1 2 413.612 4.850 50 0 HJAALO COc1ccc(C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)Cc2ccccc2)cc1 ZINC000048324147 568438057 /nfs/dbraw/zinc/43/80/57/568438057.db2.gz MWJKUHICQOVANA-UHFFFAOYSA-N 1 2 418.541 4.648 50 0 HJAALO COc1ccc(C[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)Cc2ccccc2)cc1 ZINC000048324147 568438058 /nfs/dbraw/zinc/43/80/58/568438058.db2.gz MWJKUHICQOVANA-UHFFFAOYSA-N 1 2 418.541 4.648 50 0 HJAALO CCOc1ccc(Nc2nc(NCCC3=CCCCC3)[nH+]c(N3CCCC3)n2)cc1 ZINC000000756814 568472382 /nfs/dbraw/zinc/47/23/82/568472382.db2.gz KJKGFEPTIATPMM-UHFFFAOYSA-N 1 2 408.550 4.917 50 0 HJAALO COc1ccccc1-c1nnc(SCCCn2cc[nH+]c2)n1CCc1ccccc1 ZINC000095468076 568625132 /nfs/dbraw/zinc/62/51/32/568625132.db2.gz KVDLAKSVWWEZNM-UHFFFAOYSA-N 1 2 419.554 4.575 50 0 HJAALO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000225437185 568637673 /nfs/dbraw/zinc/63/76/73/568637673.db2.gz MHQXRTNKMYSDGX-UHFFFAOYSA-N 1 2 411.387 4.842 50 0 HJAALO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951873 568667675 /nfs/dbraw/zinc/66/76/75/568667675.db2.gz QHVAINGMAZCHAH-WMZOPIPTSA-N 1 2 424.715 4.787 50 0 HJAALO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951873 568667678 /nfs/dbraw/zinc/66/76/78/568667678.db2.gz QHVAINGMAZCHAH-WMZOPIPTSA-N 1 2 424.715 4.787 50 0 HJAALO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951874 568667787 /nfs/dbraw/zinc/66/77/87/568667787.db2.gz LBOHRAKBQWXCHD-FXAWDEMLSA-N 1 2 407.272 4.878 50 0 HJAALO C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951874 568667790 /nfs/dbraw/zinc/66/77/90/568667790.db2.gz LBOHRAKBQWXCHD-FXAWDEMLSA-N 1 2 407.272 4.878 50 0 HJAALO O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccccc2Cl)cc1Cl ZINC000000862431 568718438 /nfs/dbraw/zinc/71/84/38/568718438.db2.gz AFWJULGONBLBEQ-UHFFFAOYSA-N 1 2 406.313 4.670 50 0 HJAALO CC[C@@H](C)c1nc(N2CCN(C(=O)CC(C)C)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317300 568726704 /nfs/dbraw/zinc/72/67/04/568726704.db2.gz JSRSWAZYAGYVCZ-HXUWFJFHSA-N 1 2 422.617 4.892 50 0 HJAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057024338 568823509 /nfs/dbraw/zinc/82/35/09/568823509.db2.gz DAEQHSDUMWCNRZ-LJQANCHMSA-N 1 2 403.501 4.642 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000029316957 568824185 /nfs/dbraw/zinc/82/41/85/568824185.db2.gz XBRVLKCUXAHQLJ-KRWDZBQOSA-N 1 2 422.838 4.681 50 0 HJAALO CCOc1ccccc1N1CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000057281281 568825734 /nfs/dbraw/zinc/82/57/34/568825734.db2.gz QLPDZJQZBXWQKW-INIZCTEOSA-N 1 2 400.473 4.713 50 0 HJAALO Cc1cccn2cc(CSc3nnc(-c4cccnc4)n3Cc3ccccc3)[nH+]c12 ZINC000005982325 568834109 /nfs/dbraw/zinc/83/41/09/568834109.db2.gz XSLPGMAJPLAIFH-UHFFFAOYSA-N 1 2 412.522 4.637 50 0 HJAALO COc1ccc([C@@H](NC(=O)c2oc3c(cccc3Cl)c2C)c2[nH+]ccn2C)cc1 ZINC000012535128 568844854 /nfs/dbraw/zinc/84/48/54/568844854.db2.gz ZMNRIXZHUMXELF-GOSISDBHSA-N 1 2 409.873 4.656 50 0 HJAALO COc1ccc([C@H](NC(=O)c2oc3ccc(Cl)cc3c2C)c2[nH+]ccn2C)cc1 ZINC000012576161 568862503 /nfs/dbraw/zinc/86/25/03/568862503.db2.gz PCKSEIMCGLWXRE-IBGZPJMESA-N 1 2 409.873 4.656 50 0 HJAALO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012575923 568862645 /nfs/dbraw/zinc/86/26/45/568862645.db2.gz UEIXRVJRCCOAHO-SFHVURJKSA-N 1 2 424.298 4.757 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(F)c(F)cc1Cl ZINC000003235986 568865579 /nfs/dbraw/zinc/86/55/79/568865579.db2.gz OUQSYHXDUQMFKS-UHFFFAOYSA-N 1 2 419.884 4.885 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(F)c(F)cc1Cl ZINC000003235986 568865582 /nfs/dbraw/zinc/86/55/82/568865582.db2.gz OUQSYHXDUQMFKS-UHFFFAOYSA-N 1 2 419.884 4.885 50 0 HJAALO COc1ccccc1[C@H](NC(=O)c1oc2c(cccc2Cl)c1C)c1[nH+]ccn1C ZINC000012602009 568870215 /nfs/dbraw/zinc/87/02/15/568870215.db2.gz DDVRQBNNWJHXDD-SFHVURJKSA-N 1 2 409.873 4.656 50 0 HJAALO CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(Br)s1 ZINC000012609920 568871617 /nfs/dbraw/zinc/87/16/17/568871617.db2.gz LPFQGQQLMOHXLA-UHFFFAOYSA-N 1 2 422.392 4.571 50 0 HJAALO CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(Br)s1 ZINC000012609920 568871620 /nfs/dbraw/zinc/87/16/20/568871620.db2.gz LPFQGQQLMOHXLA-UHFFFAOYSA-N 1 2 422.392 4.571 50 0 HJAALO C[NH+](C)[C@@H](Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)C(=O)c1ccccc1 ZINC000003282630 568872030 /nfs/dbraw/zinc/87/20/30/568872030.db2.gz DVTRUXYSKRGOTE-DHLKQENFSA-N 1 2 405.469 4.789 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1N1CCCC1 ZINC000012636741 568883864 /nfs/dbraw/zinc/88/38/64/568883864.db2.gz XYANSENSEKTCMF-RUZDIDTESA-N 1 2 417.578 4.935 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1N1CCCC1 ZINC000012636741 568883865 /nfs/dbraw/zinc/88/38/65/568883865.db2.gz XYANSENSEKTCMF-RUZDIDTESA-N 1 2 417.578 4.935 50 0 HJAALO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1 ZINC000012692028 568915547 /nfs/dbraw/zinc/91/55/47/568915547.db2.gz LPMKVJILDYTVAH-ZACQAIPSSA-N 1 2 409.555 4.708 50 0 HJAALO COc1cccc(C[N@H+](C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000003584147 568917236 /nfs/dbraw/zinc/91/72/36/568917236.db2.gz FQZCHANAEYQATI-UHFFFAOYSA-N 1 2 404.466 4.674 50 0 HJAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000003584147 568917237 /nfs/dbraw/zinc/91/72/37/568917237.db2.gz FQZCHANAEYQATI-UHFFFAOYSA-N 1 2 404.466 4.674 50 0 HJAALO CCOc1c(Cl)cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1OC ZINC000012772708 568952763 /nfs/dbraw/zinc/95/27/63/568952763.db2.gz KGIOFAJBCHAMJV-UHFFFAOYSA-N 1 2 423.966 4.688 50 0 HJAALO O=C(C[NH2+][C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000012780762 568957598 /nfs/dbraw/zinc/95/75/98/568957598.db2.gz KHHALGVCADTKEB-QHCPKHFHSA-N 1 2 419.431 4.598 50 0 HJAALO Cc1nc(-n2cccn2)cc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)[nH+]1 ZINC000038488255 568997639 /nfs/dbraw/zinc/99/76/39/568997639.db2.gz HWCOVNGXMWUZFS-UHFFFAOYSA-N 1 2 418.888 4.549 50 0 HJAALO COc1cc(OC)cc(C(=O)Nc2cccc(CCc3[nH]c4ccc(C)cc4[nH+]3)c2)c1 ZINC000015863577 569016151 /nfs/dbraw/zinc/01/61/51/569016151.db2.gz SFZLGEXJQPMRIN-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO COc1cc(OC)cc(C(=O)Nc2cccc(CCc3[nH]c4cc(C)ccc4[nH+]3)c2)c1 ZINC000015863577 569016152 /nfs/dbraw/zinc/01/61/52/569016152.db2.gz SFZLGEXJQPMRIN-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO COc1cc(OC)cc(C(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c1 ZINC000015863618 569016202 /nfs/dbraw/zinc/01/62/02/569016202.db2.gz PYTPEFKZVIDBOP-UHFFFAOYSA-N 1 2 401.466 4.618 50 0 HJAALO COc1cc(OC)cc(C(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)c1 ZINC000015863683 569016242 /nfs/dbraw/zinc/01/62/42/569016242.db2.gz BCCZMMHHAYWNIQ-UHFFFAOYSA-N 1 2 415.493 4.628 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1cccc(NS(=O)(=O)c2cccc(C)c2)c1 ZINC000015870498 569017278 /nfs/dbraw/zinc/01/72/78/569017278.db2.gz MQVIQFGKZRTVTI-UHFFFAOYSA-N 1 2 419.550 4.951 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NS(=O)(=O)c2cccc(C)c2)cc1 ZINC000015870615 569017333 /nfs/dbraw/zinc/01/73/33/569017333.db2.gz FSJOMBHICDPYBK-UHFFFAOYSA-N 1 2 419.550 4.951 50 0 HJAALO Cc1ccc(Cl)c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1Cl ZINC000012932274 569024902 /nfs/dbraw/zinc/02/49/02/569024902.db2.gz ABHFCXVYSFIATB-OAHLLOKOSA-N 1 2 420.340 4.591 50 0 HJAALO Cc1ccc(Cl)c(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1Cl ZINC000012932274 569024903 /nfs/dbraw/zinc/02/49/03/569024903.db2.gz ABHFCXVYSFIATB-OAHLLOKOSA-N 1 2 420.340 4.591 50 0 HJAALO COC(=O)c1cc(C[N@H+](C)[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)oc1C ZINC000035310642 569031059 /nfs/dbraw/zinc/03/10/59/569031059.db2.gz MZQPTFYOTBDCKX-HSZRJFAPSA-N 1 2 416.477 4.912 50 0 HJAALO COC(=O)c1cc(C[N@@H+](C)[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)oc1C ZINC000035310642 569031060 /nfs/dbraw/zinc/03/10/60/569031060.db2.gz MZQPTFYOTBDCKX-HSZRJFAPSA-N 1 2 416.477 4.912 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccccc4Cl)CC3)cn2)cc1 ZINC000035403883 569035554 /nfs/dbraw/zinc/03/55/54/569035554.db2.gz VXMFBIOFLRDGSG-UHFFFAOYSA-N 1 2 406.917 4.562 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccccc4Cl)CC3)cn2)cc1 ZINC000035403883 569035555 /nfs/dbraw/zinc/03/55/55/569035555.db2.gz VXMFBIOFLRDGSG-UHFFFAOYSA-N 1 2 406.917 4.562 50 0 HJAALO CCCCCCC(=O)N1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccccc2)CC1 ZINC000035794829 569059545 /nfs/dbraw/zinc/05/95/45/569059545.db2.gz MELVNKAWTONQFZ-UHFFFAOYSA-N 1 2 408.590 4.557 50 0 HJAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036095968 569090113 /nfs/dbraw/zinc/09/01/13/569090113.db2.gz YVOANIYRTYKMGW-MAUKXSAKSA-N 1 2 408.527 4.886 50 0 HJAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036095968 569090114 /nfs/dbraw/zinc/09/01/14/569090114.db2.gz YVOANIYRTYKMGW-MAUKXSAKSA-N 1 2 408.527 4.886 50 0 HJAALO COC(=O)CC1=CC(SCC(=O)Nc2cccc(C)c2)=[NH+]c2cc(C)c(C)cc2N1 ZINC000064869942 569112398 /nfs/dbraw/zinc/11/23/98/569112398.db2.gz YTVFMMDXAXPQJH-UHFFFAOYSA-N 1 2 423.538 4.886 50 0 HJAALO CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000169681412 569127460 /nfs/dbraw/zinc/12/74/60/569127460.db2.gz RQONEVZOUKMWKP-FQEVSTJZSA-N 1 2 421.585 4.526 50 0 HJAALO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](Cc1ccco1)C[C@H](C)O ZINC000036308364 569130431 /nfs/dbraw/zinc/13/04/31/569130431.db2.gz QIKPVXQBYVCMJD-IBGZPJMESA-N 1 2 417.509 4.949 50 0 HJAALO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](Cc1ccco1)C[C@H](C)O ZINC000036308364 569130433 /nfs/dbraw/zinc/13/04/33/569130433.db2.gz QIKPVXQBYVCMJD-IBGZPJMESA-N 1 2 417.509 4.949 50 0 HJAALO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000037228425 569240834 /nfs/dbraw/zinc/24/08/34/569240834.db2.gz DLGXXWZIACVXJP-VWLOTQADSA-N 1 2 411.505 4.620 50 0 HJAALO Cc1csc(N2CCC[N@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)n1 ZINC000071824893 569254504 /nfs/dbraw/zinc/25/45/04/569254504.db2.gz MIRMXXMOOGZRFS-UHFFFAOYSA-N 1 2 424.357 4.521 50 0 HJAALO Cc1csc(N2CCC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)n1 ZINC000071824893 569254505 /nfs/dbraw/zinc/25/45/05/569254505.db2.gz MIRMXXMOOGZRFS-UHFFFAOYSA-N 1 2 424.357 4.521 50 0 HJAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)[nH+]1 ZINC000017013053 569271545 /nfs/dbraw/zinc/27/15/45/569271545.db2.gz PBCZXMSKTMHBAV-UHFFFAOYSA-N 1 2 423.561 4.664 50 0 HJAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)[nH+]1 ZINC000017013542 569271746 /nfs/dbraw/zinc/27/17/46/569271746.db2.gz KBJKRNWYPKNRRT-UHFFFAOYSA-N 1 2 415.419 4.866 50 0 HJAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000007921978 569327147 /nfs/dbraw/zinc/32/71/47/569327147.db2.gz SZWBRZRYTIMVGQ-LBPRGKRZSA-N 1 2 404.333 4.690 50 0 HJAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000007921978 569327148 /nfs/dbraw/zinc/32/71/48/569327148.db2.gz SZWBRZRYTIMVGQ-LBPRGKRZSA-N 1 2 404.333 4.690 50 0 HJAALO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)cc(Br)c1O ZINC000253432446 569369944 /nfs/dbraw/zinc/36/99/44/569369944.db2.gz ZPBLGDFDVPZJGI-INIZCTEOSA-N 1 2 410.308 4.630 50 0 HJAALO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccc(COC)o2)cc(Br)c1O ZINC000253432446 569369945 /nfs/dbraw/zinc/36/99/45/569369945.db2.gz ZPBLGDFDVPZJGI-INIZCTEOSA-N 1 2 410.308 4.630 50 0 HJAALO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013038659 569407753 /nfs/dbraw/zinc/40/77/53/569407753.db2.gz SIHZNBQLTNQMRU-AWEZNQCLSA-N 1 2 411.855 4.508 50 0 HJAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 ZINC000013061238 569408372 /nfs/dbraw/zinc/40/83/72/569408372.db2.gz LNGPBFIWJXJXNO-KRWDZBQOSA-N 1 2 407.297 4.540 50 0 HJAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 ZINC000013061238 569408374 /nfs/dbraw/zinc/40/83/74/569408374.db2.gz LNGPBFIWJXJXNO-KRWDZBQOSA-N 1 2 407.297 4.540 50 0 HJAALO O[C@]1(C(F)(F)F)C=C(c2ccco2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000008750644 571112167 /nfs/dbraw/zinc/11/21/67/571112167.db2.gz PTYCFUFFLJHESN-INIZCTEOSA-N 1 2 413.808 4.922 50 0 HJAALO O=C(Nc1ccc(Oc2ccccc2Cl)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000040104319 571165052 /nfs/dbraw/zinc/16/50/52/571165052.db2.gz TVDZLBMJRNKYHM-UHFFFAOYSA-N 1 2 422.916 4.877 50 0 HJAALO CC(C)(C)c1nnc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1 ZINC000069952137 571251482 /nfs/dbraw/zinc/25/14/82/571251482.db2.gz YUOADNHURWYLJJ-OAQYLSRUSA-N 1 2 424.589 4.664 50 0 HJAALO CSc1ccccc1NC(=O)C[N@H+](C)Cc1c(-c2ccccc2)nc2sccn21 ZINC000009366903 571252200 /nfs/dbraw/zinc/25/22/00/571252200.db2.gz YCIPRZCDCGDZLU-UHFFFAOYSA-N 1 2 422.579 4.855 50 0 HJAALO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1c(-c2ccccc2)nc2sccn21 ZINC000009366903 571252202 /nfs/dbraw/zinc/25/22/02/571252202.db2.gz YCIPRZCDCGDZLU-UHFFFAOYSA-N 1 2 422.579 4.855 50 0 HJAALO CCc1cc(N2CCCC[C@@H]2C)nc(SCc2cccc(C(=O)NCC3CC3)c2)[nH+]1 ZINC000006765329 132315326 /nfs/dbraw/zinc/31/53/26/132315326.db2.gz NVSJHNUUQYLOGF-KRWDZBQOSA-N 1 2 424.614 4.850 50 0 HJAALO O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000009224028 132337278 /nfs/dbraw/zinc/33/72/78/132337278.db2.gz ZQXKNJAHEYBGIA-UHFFFAOYSA-N 1 2 423.969 4.990 50 0 HJAALO COc1ccc2c(c1)CCCN2C(=O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000011469815 132348176 /nfs/dbraw/zinc/34/81/76/132348176.db2.gz BKQVVCMJYMGVSA-UHFFFAOYSA-N 1 2 412.580 4.800 50 0 HJAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000033034501 132501026 /nfs/dbraw/zinc/50/10/26/132501026.db2.gz SWZKAXQISVSGQS-UHFFFAOYSA-N 1 2 402.542 4.961 50 0 HJAALO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)nc2)c1 ZINC000034681580 132795160 /nfs/dbraw/zinc/79/51/60/132795160.db2.gz MMPZPLNDAVIDKY-UHFFFAOYSA-N 1 2 420.944 4.618 50 0 HJAALO C[N@@H+]1C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000020567606 524026175 /nfs/dbraw/zinc/02/61/75/524026175.db2.gz ASQFCOLZFPITDH-OPJGWUQDSA-N 1 2 416.908 4.716 50 0 HJAALO C[N@H+]1C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000020567606 524026177 /nfs/dbraw/zinc/02/61/77/524026177.db2.gz ASQFCOLZFPITDH-OPJGWUQDSA-N 1 2 416.908 4.716 50 0 HJAALO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S ZINC000032913320 527018448 /nfs/dbraw/zinc/01/84/48/527018448.db2.gz FPUSGGDTHLHZKY-OAHLLOKOSA-N 1 2 423.517 4.735 50 0 HJAALO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S ZINC000032913320 527018455 /nfs/dbraw/zinc/01/84/55/527018455.db2.gz FPUSGGDTHLHZKY-OAHLLOKOSA-N 1 2 423.517 4.735 50 0 HJAALO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1=S ZINC000032913321 527018870 /nfs/dbraw/zinc/01/88/70/527018870.db2.gz FPUSGGDTHLHZKY-HNNXBMFYSA-N 1 2 423.517 4.735 50 0 HJAALO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1=S ZINC000032913321 527018875 /nfs/dbraw/zinc/01/88/75/527018875.db2.gz FPUSGGDTHLHZKY-HNNXBMFYSA-N 1 2 423.517 4.735 50 0 HJAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000020538495 527147908 /nfs/dbraw/zinc/14/79/08/527147908.db2.gz FZTRROXWFXGLRP-SFHVURJKSA-N 1 2 400.935 4.580 50 0 HJAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000020538495 527147913 /nfs/dbraw/zinc/14/79/13/527147913.db2.gz FZTRROXWFXGLRP-SFHVURJKSA-N 1 2 400.935 4.580 50 0 HJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccncc2)c(C)c1 ZINC000001060819 557164053 /nfs/dbraw/zinc/16/40/53/557164053.db2.gz BMGXGMDXZKJPOU-QHCPKHFHSA-N 1 2 409.493 4.976 50 0 HJAALO COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004741891 557590799 /nfs/dbraw/zinc/59/07/99/557590799.db2.gz FBRMXFHOHRHBGY-QHCPKHFHSA-N 1 2 410.477 4.973 50 0 HJAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc2[nH+]1 ZINC000004757315 557594610 /nfs/dbraw/zinc/59/46/10/557594610.db2.gz LPEOTAKNUYDQST-UHFFFAOYSA-N 1 2 423.513 4.668 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC(=O)Nc1cc(Cl)cc(Cl)c1)CC2 ZINC000005389180 557650105 /nfs/dbraw/zinc/65/01/05/557650105.db2.gz KAYFORKSFLUEML-GFCCVEGCSA-N 1 2 409.313 4.568 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC(=O)Nc1cc(Cl)cc(Cl)c1)CC2 ZINC000005389180 557650108 /nfs/dbraw/zinc/65/01/08/557650108.db2.gz KAYFORKSFLUEML-GFCCVEGCSA-N 1 2 409.313 4.568 50 0 HJAALO CCOc1ccccc1NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000022839939 557840892 /nfs/dbraw/zinc/84/08/92/557840892.db2.gz DSXHXXKDRBEBQQ-UHFFFAOYSA-N 1 2 401.466 4.873 50 0 HJAALO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4cccs4)CC3)ccc21 ZINC000019831365 558291692 /nfs/dbraw/zinc/29/16/92/558291692.db2.gz GHGKDYVOXMAZQR-UHFFFAOYSA-N 1 2 403.551 4.834 50 0 HJAALO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2csc(C(C)=O)c2)CC1 ZINC000012193877 558348550 /nfs/dbraw/zinc/34/85/50/558348550.db2.gz CHPQQYGZLNHYOS-UHFFFAOYSA-N 1 2 419.974 4.992 50 0 HJAALO CCCCCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000020292130 558354249 /nfs/dbraw/zinc/35/42/49/558354249.db2.gz OKHXCSNDBMDGFZ-INIZCTEOSA-N 1 2 422.356 4.859 50 0 HJAALO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cc(C(C)C)n[nH]2)CC1 ZINC000012300825 558370559 /nfs/dbraw/zinc/37/05/59/558370559.db2.gz JRWGYZHAVIKYCC-UHFFFAOYSA-N 1 2 403.954 4.575 50 0 HJAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000012448295 558415342 /nfs/dbraw/zinc/41/53/42/558415342.db2.gz ABCWZEIDHWTANE-SFHVURJKSA-N 1 2 423.944 4.818 50 0 HJAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)c(C)c1 ZINC000004341742 558425513 /nfs/dbraw/zinc/42/55/13/558425513.db2.gz WDXDATQNQAAEQV-UHFFFAOYSA-N 1 2 417.538 4.780 50 0 HJAALO CCC[N@H+](CC(=O)N[C@@H](C)c1cc2ccccc2o1)Cc1nnc(-c2cccs2)o1 ZINC000021582630 558442013 /nfs/dbraw/zinc/44/20/13/558442013.db2.gz VHHPAMAYJRZALY-HNNXBMFYSA-N 1 2 424.526 4.634 50 0 HJAALO CCC[N@@H+](CC(=O)N[C@@H](C)c1cc2ccccc2o1)Cc1nnc(-c2cccs2)o1 ZINC000021582630 558442014 /nfs/dbraw/zinc/44/20/14/558442014.db2.gz VHHPAMAYJRZALY-HNNXBMFYSA-N 1 2 424.526 4.634 50 0 HJAALO CC(C)(C)C1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccco3)cc(C(F)(F)F)n2)[NH2+]1 ZINC000013643054 558556016 /nfs/dbraw/zinc/55/60/16/558556016.db2.gz RCXJDTCIBICGSR-OAHLLOKOSA-N 1 2 422.329 4.619 50 0 HJAALO COc1ccc(C[N@H+](Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)C2CC2)cc1 ZINC000023995578 558584212 /nfs/dbraw/zinc/58/42/12/558584212.db2.gz ALAWDWJUVAREQB-UHFFFAOYSA-N 1 2 423.563 4.886 50 0 HJAALO COc1ccc(C[N@@H+](Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)C2CC2)cc1 ZINC000023995578 558584217 /nfs/dbraw/zinc/58/42/17/558584217.db2.gz ALAWDWJUVAREQB-UHFFFAOYSA-N 1 2 423.563 4.886 50 0 HJAALO C[C@H](c1nnc(SCCCOc2ccc(F)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490703 558609248 /nfs/dbraw/zinc/60/92/48/558609248.db2.gz MNSZKDSRAXEVQQ-OAHLLOKOSA-N 1 2 418.513 4.729 50 0 HJAALO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000015063721 558706436 /nfs/dbraw/zinc/70/64/36/558706436.db2.gz QHJKGQZTSPHJHH-NRFANRHFSA-N 1 2 419.525 4.558 50 0 HJAALO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000015063721 558706439 /nfs/dbraw/zinc/70/64/39/558706439.db2.gz QHJKGQZTSPHJHH-NRFANRHFSA-N 1 2 419.525 4.558 50 0 HJAALO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000029719934 558719295 /nfs/dbraw/zinc/71/92/95/558719295.db2.gz JIEPXGZBNAFFDN-LJQANCHMSA-N 1 2 420.296 4.522 50 0 HJAALO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000029719934 558719297 /nfs/dbraw/zinc/71/92/97/558719297.db2.gz JIEPXGZBNAFFDN-LJQANCHMSA-N 1 2 420.296 4.522 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2ccccc2n1 ZINC000015317926 558732169 /nfs/dbraw/zinc/73/21/69/558732169.db2.gz FQJISQGAHYPEEC-UHFFFAOYSA-N 1 2 400.507 4.502 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2ccccc2n1 ZINC000015317926 558732173 /nfs/dbraw/zinc/73/21/73/558732173.db2.gz FQJISQGAHYPEEC-UHFFFAOYSA-N 1 2 400.507 4.502 50 0 HJAALO O=C(N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1csc(-c2ccsc2)n1 ZINC000072309914 558778658 /nfs/dbraw/zinc/77/86/58/558778658.db2.gz NMADBFLAIQNERE-RBUKOAKNSA-N 1 2 406.536 4.727 50 0 HJAALO CCOC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)[nH+]c3cc(C)ccn32)c1 ZINC000035616399 558794652 /nfs/dbraw/zinc/79/46/52/558794652.db2.gz NDYFOVUFDAMHIY-UHFFFAOYSA-N 1 2 417.465 4.944 50 0 HJAALO COC(=O)c1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2cc(OC)ccc2OC)cc1 ZINC000035616405 558794672 /nfs/dbraw/zinc/79/46/72/558794672.db2.gz ZVMFRTFZPGNRGS-UHFFFAOYSA-N 1 2 417.465 4.857 50 0 HJAALO COc1ccc(OCC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1 ZINC000033084566 558868835 /nfs/dbraw/zinc/86/88/35/558868835.db2.gz BFBQKDJUTORALR-UHFFFAOYSA-N 1 2 405.498 4.560 50 0 HJAALO O=S(=O)(Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1)c1ccc2c(c1)CCC2 ZINC000033116538 558877668 /nfs/dbraw/zinc/87/76/68/558877668.db2.gz MJFAKLPSCGNLLJ-UHFFFAOYSA-N 1 2 417.534 4.638 50 0 HJAALO O=c1c(C[NH+]2CCN(c3ccccc3F)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292270 558878726 /nfs/dbraw/zinc/87/87/26/558878726.db2.gz MLKYPOQCZUVEHK-UHFFFAOYSA-N 1 2 407.272 4.561 50 0 HJAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC000019534535 558913455 /nfs/dbraw/zinc/91/34/55/558913455.db2.gz PHTXOQLVYPXDRM-HXUWFJFHSA-N 1 2 417.534 4.997 50 0 HJAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC000019534535 558913458 /nfs/dbraw/zinc/91/34/58/558913458.db2.gz PHTXOQLVYPXDRM-HXUWFJFHSA-N 1 2 417.534 4.997 50 0 HJAALO c1[nH+]c(CN2CCOCC2)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000097165687 558998602 /nfs/dbraw/zinc/99/86/02/558998602.db2.gz QSDXIQQQWIZCLP-UHFFFAOYSA-N 1 2 409.533 4.556 50 0 HJAALO O=c1[nH]c(SCc2ccc(Cl)cc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000033287252 559043865 /nfs/dbraw/zinc/04/38/65/559043865.db2.gz WMPPKLRFTCSPBA-UHFFFAOYSA-N 1 2 415.921 4.825 50 0 HJAALO O=c1[nH]c(SCc2ccc(Cl)cc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000033287252 559043866 /nfs/dbraw/zinc/04/38/66/559043866.db2.gz WMPPKLRFTCSPBA-UHFFFAOYSA-N 1 2 415.921 4.825 50 0 HJAALO O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1C[NH+]1CCCCC1 ZINC000033672154 559227717 /nfs/dbraw/zinc/22/77/17/559227717.db2.gz MIEUGUIQMWTOAG-QNGOZBTKSA-N 1 2 408.523 4.745 50 0 HJAALO C[C@@H](c1nnc(SCC(=O)C(C)(C)C)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000005280628 560562498 /nfs/dbraw/zinc/56/24/98/560562498.db2.gz XGKFVSNPLDYGQT-HNNXBMFYSA-N 1 2 404.555 4.661 50 0 HJAALO Cc1ccc(-c2c(=O)c3cc(Cl)ccc3oc2NC(=O)C[NH+]2CCCCC2)cc1 ZINC000005451734 560589192 /nfs/dbraw/zinc/58/91/92/560589192.db2.gz KWHXKDAXAMRKLZ-UHFFFAOYSA-N 1 2 410.901 4.846 50 0 HJAALO Cc1c([C@H](Nc2cccc[nH+]2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000018324638 560825845 /nfs/dbraw/zinc/82/58/45/560825845.db2.gz HRSQQSTVOBXDHC-JOCHJYFZSA-N 1 2 404.901 4.734 50 0 HJAALO C[C@@H]1C[C@H](C)C[N@H+]([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000105863159 560877912 /nfs/dbraw/zinc/87/79/12/560877912.db2.gz VQMBSNMKVCWORP-DVOMOZLQSA-N 1 2 414.556 4.885 50 0 HJAALO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000105863159 560877913 /nfs/dbraw/zinc/87/79/13/560877913.db2.gz VQMBSNMKVCWORP-DVOMOZLQSA-N 1 2 414.556 4.885 50 0 HJAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C)cc2)[NH+]2CCN(C)CC2)c1C ZINC000020192882 568593623 /nfs/dbraw/zinc/59/36/23/568593623.db2.gz QPMRIGGEHMPDDV-JOCHJYFZSA-N 1 2 423.582 4.855 50 0 HJAALO O=C(Nc1ccc(Cl)cc1)N1CCC[N@H+](Cc2nc3cc(Cl)ccc3o2)CC1 ZINC000021155717 568673513 /nfs/dbraw/zinc/67/35/13/568673513.db2.gz IZRMQGGMUFFYFQ-UHFFFAOYSA-N 1 2 419.312 4.874 50 0 HJAALO O=C(Nc1ccc(Cl)cc1)N1CCC[N@@H+](Cc2nc3cc(Cl)ccc3o2)CC1 ZINC000021155717 568673515 /nfs/dbraw/zinc/67/35/15/568673515.db2.gz IZRMQGGMUFFYFQ-UHFFFAOYSA-N 1 2 419.312 4.874 50 0 HJAALO Cc1cccc(Cn2c3ccccc3[nH+]c2N2CCC(C(=O)NC3CCCC3)CC2)c1 ZINC000021159842 568674329 /nfs/dbraw/zinc/67/43/29/568674329.db2.gz ODYBFGINMQUNAW-UHFFFAOYSA-N 1 2 416.569 4.668 50 0 HJAALO CC[C@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2C)CC1 ZINC000021160087 568674451 /nfs/dbraw/zinc/67/44/51/568674451.db2.gz ZOVYJNHPSVVACA-IBGZPJMESA-N 1 2 404.558 4.524 50 0 HJAALO C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000095993255 568678127 /nfs/dbraw/zinc/67/81/27/568678127.db2.gz MPJGXYSYXJGQDJ-WBVHZDCISA-N 1 2 407.464 4.537 50 0 HJAALO Cc1ccc2cc(CN3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)c(Cl)nc2c1 ZINC000096126353 568701704 /nfs/dbraw/zinc/70/17/04/568701704.db2.gz BQKKEEDPEXYDJU-UHFFFAOYSA-N 1 2 409.965 4.741 50 0 HJAALO CC(C)n1c(CCCCCNC(=O)c2cc(=O)[nH]c3ccccc32)[nH+]c2ccccc21 ZINC000096231545 568707426 /nfs/dbraw/zinc/70/74/26/568707426.db2.gz ISNAVDNBYWBBMO-UHFFFAOYSA-N 1 2 416.525 4.602 50 0 HJAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c(C)c1 ZINC000096323498 568731900 /nfs/dbraw/zinc/73/19/00/568731900.db2.gz ZDYLNSDEFXCKMN-UHFFFAOYSA-N 1 2 419.572 4.975 50 0 HJAALO CCOC(=O)c1ccc(Nc2c(C(=O)OCC)c[nH+]c3ccc(OCC)cc32)cc1 ZINC000000953685 568758556 /nfs/dbraw/zinc/75/85/56/568758556.db2.gz SZFLZEUKTMZAKE-UHFFFAOYSA-N 1 2 408.454 4.731 50 0 HJAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057363145 568829087 /nfs/dbraw/zinc/82/90/87/568829087.db2.gz FCRXLAYKEIGZOU-UHFFFAOYSA-N 1 2 416.447 4.578 50 0 HJAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057363145 568829090 /nfs/dbraw/zinc/82/90/90/568829090.db2.gz FCRXLAYKEIGZOU-UHFFFAOYSA-N 1 2 416.447 4.578 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)c1ccccc1F ZINC000012535694 568845294 /nfs/dbraw/zinc/84/52/94/568845294.db2.gz XBXHNPVDBUPERM-OAQYLSRUSA-N 1 2 411.546 4.855 50 0 HJAALO O=C(CCSCc1cn2ccccc2[nH+]1)NC(c1ccccc1)c1ccccc1 ZINC000012539882 568847026 /nfs/dbraw/zinc/84/70/26/568847026.db2.gz XOIBHGSBGPRZAI-UHFFFAOYSA-N 1 2 401.535 4.863 50 0 HJAALO COc1ccc([C@H](NC(=O)CCc2ccc(-c3ccccc3)o2)c2[nH+]ccn2C)cc1 ZINC000012549994 568852373 /nfs/dbraw/zinc/85/23/73/568852373.db2.gz IQKQSCHCVLBFGD-DEOSSOPVSA-N 1 2 415.493 4.527 50 0 HJAALO C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000057611497 568855477 /nfs/dbraw/zinc/85/54/77/568855477.db2.gz YUQGDVFHHITOKI-CZUORRHYSA-N 1 2 410.568 4.950 50 0 HJAALO C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@H+]1CCC[C@@H]1c1cccn1C ZINC000057611497 568855479 /nfs/dbraw/zinc/85/54/79/568855479.db2.gz YUQGDVFHHITOKI-CZUORRHYSA-N 1 2 410.568 4.950 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2ncn(-c3ccc(OC)cc3)c2=S)cc1 ZINC000012587403 568867468 /nfs/dbraw/zinc/86/74/68/568867468.db2.gz YPIFGYZYUDGZQY-OAQYLSRUSA-N 1 2 410.543 4.605 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@H+]2Cn2ncn(-c3ccc(OC)cc3)c2=S)cc1 ZINC000012587403 568867469 /nfs/dbraw/zinc/86/74/69/568867469.db2.gz YPIFGYZYUDGZQY-OAQYLSRUSA-N 1 2 410.543 4.605 50 0 HJAALO O=S(=O)(Nc1ccc(C2=CSC3=[NH+]CCCN23)cc1)C1=Cc2ccccc2CC1 ZINC000012604518 568870545 /nfs/dbraw/zinc/87/05/45/568870545.db2.gz UWWFHCVIUISZSA-UHFFFAOYSA-N 1 2 423.563 4.523 50 0 HJAALO Cc1cc(C(=O)COc2ccc(-n3cc[nH+]c3)cc2)c(C)n1CCc1ccc(F)cc1 ZINC000012640528 568885369 /nfs/dbraw/zinc/88/53/69/568885369.db2.gz PDGSZJJUJJRHPL-UHFFFAOYSA-N 1 2 417.484 4.934 50 0 HJAALO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cnoc1-c1ccc(Cl)s1 ZINC000084651603 568954561 /nfs/dbraw/zinc/95/45/61/568954561.db2.gz DNEMLJZYJFPPRW-LBPRGKRZSA-N 1 2 410.948 4.653 50 0 HJAALO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cnoc1-c1ccc(Cl)s1 ZINC000084651603 568954562 /nfs/dbraw/zinc/95/45/62/568954562.db2.gz DNEMLJZYJFPPRW-LBPRGKRZSA-N 1 2 410.948 4.653 50 0 HJAALO C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007989078 568966154 /nfs/dbraw/zinc/96/61/54/568966154.db2.gz MBNULLOTUCDEPM-MRXNPFEDSA-N 1 2 416.506 4.677 50 0 HJAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1Cl ZINC000008310316 568988457 /nfs/dbraw/zinc/98/84/57/568988457.db2.gz MGHZJGCVTKDATP-SFHVURJKSA-N 1 2 421.324 4.930 50 0 HJAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1Cl ZINC000008310316 568988460 /nfs/dbraw/zinc/98/84/60/568988460.db2.gz MGHZJGCVTKDATP-SFHVURJKSA-N 1 2 421.324 4.930 50 0 HJAALO COc1cc(C[N@@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)ccc1OC(C)C ZINC000015779035 569001660 /nfs/dbraw/zinc/00/16/60/569001660.db2.gz DBRLWYKGXSAFFH-UHFFFAOYSA-N 1 2 422.504 4.713 50 0 HJAALO COc1cc(C[N@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)ccc1OC(C)C ZINC000015779035 569001661 /nfs/dbraw/zinc/00/16/61/569001661.db2.gz DBRLWYKGXSAFFH-UHFFFAOYSA-N 1 2 422.504 4.713 50 0 HJAALO CCCOc1ccc2ccccc2c1C[N@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000012874476 569013521 /nfs/dbraw/zinc/01/35/21/569013521.db2.gz YCKHXKHNDORYKT-UHFFFAOYSA-N 1 2 419.525 4.658 50 0 HJAALO CCCOc1ccc2ccccc2c1C[N@@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000012874476 569013522 /nfs/dbraw/zinc/01/35/22/569013522.db2.gz YCKHXKHNDORYKT-UHFFFAOYSA-N 1 2 419.525 4.658 50 0 HJAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1cc2ccccc2oc1=O ZINC000015863880 569016251 /nfs/dbraw/zinc/01/62/51/569016251.db2.gz ZJUUMICNAXBCKP-UHFFFAOYSA-N 1 2 409.445 4.707 50 0 HJAALO CCN(C(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)c1cccc(Cl)c1 ZINC000035404113 569035674 /nfs/dbraw/zinc/03/56/74/569035674.db2.gz GOPMVDBBNMFZCR-UHFFFAOYSA-N 1 2 420.944 4.668 50 0 HJAALO CCN(C(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)c1cccc(Cl)c1 ZINC000035404113 569035675 /nfs/dbraw/zinc/03/56/75/569035675.db2.gz GOPMVDBBNMFZCR-UHFFFAOYSA-N 1 2 420.944 4.668 50 0 HJAALO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000035414097 569036142 /nfs/dbraw/zinc/03/61/42/569036142.db2.gz DQCXKBBZDKZUQI-RUZDIDTESA-N 1 2 411.505 4.620 50 0 HJAALO COC(=O)c1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(OC)c(OC)c2)cc1 ZINC000035622074 569046571 /nfs/dbraw/zinc/04/65/71/569046571.db2.gz DXSDSXBUYFOWGG-UHFFFAOYSA-N 1 2 417.465 4.857 50 0 HJAALO O=C(C[N@@H+](Cc1ccc(F)c(F)c1)C1CC1)N1CCS[C@@H]1c1ccccc1Cl ZINC000035843655 569062399 /nfs/dbraw/zinc/06/23/99/569062399.db2.gz JEIUWERHESRAFA-OAQYLSRUSA-N 1 2 422.928 4.857 50 0 HJAALO O=C(C[N@H+](Cc1ccc(F)c(F)c1)C1CC1)N1CCS[C@@H]1c1ccccc1Cl ZINC000035843655 569062400 /nfs/dbraw/zinc/06/24/00/569062400.db2.gz JEIUWERHESRAFA-OAQYLSRUSA-N 1 2 422.928 4.857 50 0 HJAALO CC[C@H](C)[N@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(Cl)c1 ZINC000036063795 569085620 /nfs/dbraw/zinc/08/56/20/569085620.db2.gz ULMXZCNOMGSUSU-HNNXBMFYSA-N 1 2 401.894 4.652 50 0 HJAALO CC[C@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(Cl)c1 ZINC000036063795 569085621 /nfs/dbraw/zinc/08/56/21/569085621.db2.gz ULMXZCNOMGSUSU-HNNXBMFYSA-N 1 2 401.894 4.652 50 0 HJAALO CC[C@@H](C)[N@H+](Cc1nc(C(=O)NCc2cccnc2)co1)Cc1ccc(C(C)C)cc1 ZINC000036082631 569087038 /nfs/dbraw/zinc/08/70/38/569087038.db2.gz VCXJENLDOJPLDU-LJQANCHMSA-N 1 2 420.557 4.924 50 0 HJAALO CC[C@@H](C)[N@@H+](Cc1nc(C(=O)NCc2cccnc2)co1)Cc1ccc(C(C)C)cc1 ZINC000036082631 569087039 /nfs/dbraw/zinc/08/70/39/569087039.db2.gz 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CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000036370434 569154056 /nfs/dbraw/zinc/15/40/56/569154056.db2.gz FBNLDIQREBTOAP-LRDDRELGSA-N 1 2 424.492 4.899 50 0 HJAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000006941931 569186675 /nfs/dbraw/zinc/18/66/75/569186675.db2.gz QPGJOYDIFQERHA-CYBMUJFWSA-N 1 2 409.902 4.588 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000007255731 569230567 /nfs/dbraw/zinc/23/05/67/569230567.db2.gz LIEWLZXBIAMZEF-HSZRJFAPSA-N 1 2 423.607 4.996 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000007255731 569230569 /nfs/dbraw/zinc/23/05/69/569230569.db2.gz LIEWLZXBIAMZEF-HSZRJFAPSA-N 1 2 423.607 4.996 50 0 HJAALO O=C1[C@H](c2ccccc2)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000239287385 569232268 /nfs/dbraw/zinc/23/22/68/569232268.db2.gz CRLQJTSACHTAGF-HPQIJTKRSA-N 1 2 403.525 6.209 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cn2nc(C)n(-c3ccc(C)cc3)c2=S)c1 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CC(C)(C)c1[nH]c2ccc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)cc2[nH+]1 ZINC000032753556 519107852 /nfs/dbraw/zinc/10/78/52/519107852.db2.gz KDIMIXYZVFPREF-UHFFFAOYSA-N 1 2 406.515 4.523 50 0 HJAALO COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000032936623 523792644 /nfs/dbraw/zinc/79/26/44/523792644.db2.gz QBRPTEJCHPOIMT-UHFFFAOYSA-N 1 2 413.477 4.702 50 0 HJAALO S=c1n(C[N@H+](C2CC2)C2CCCC2)nc(-c2cccnc2)n1Cc1ccccc1 ZINC000032923187 526388700 /nfs/dbraw/zinc/38/87/00/526388700.db2.gz FMDSWJAAOXEFEK-UHFFFAOYSA-N 1 2 405.571 4.889 50 0 HJAALO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nc(-c2cccnc2)n1Cc1ccccc1 ZINC000032923187 526388704 /nfs/dbraw/zinc/38/87/04/526388704.db2.gz FMDSWJAAOXEFEK-UHFFFAOYSA-N 1 2 405.571 4.889 50 0 HJAALO Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000031890912 526843541 /nfs/dbraw/zinc/84/35/41/526843541.db2.gz MYUFBHZIIFMBNO-FQEVSTJZSA-N 1 2 424.863 4.695 50 0 HJAALO Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000031890914 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ZINC000012437737 558409526 /nfs/dbraw/zinc/40/95/26/558409526.db2.gz HBWTVAXSUGLTDU-SFHVURJKSA-N 1 2 421.566 4.698 50 0 HJAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022784118 558510575 /nfs/dbraw/zinc/51/05/75/558510575.db2.gz BBYHXFVRJYMNBW-LJQANCHMSA-N 1 2 405.567 4.560 50 0 HJAALO Clc1ccc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)s1 ZINC000013117510 558516496 /nfs/dbraw/zinc/51/64/96/558516496.db2.gz ZJQBCYXQORLGKN-UHFFFAOYSA-N 1 2 421.957 4.729 50 0 HJAALO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=[NH+]3)cc1 ZINC000013122779 558517593 /nfs/dbraw/zinc/51/75/93/558517593.db2.gz DSVOYVNWGMJQFR-FCHUYYIVSA-N 1 2 414.490 4.561 50 0 HJAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4CC[C@@H]5CCCC[C@@H]5C4)cc3)cn2c1 ZINC000023233244 558544042 /nfs/dbraw/zinc/54/40/42/558544042.db2.gz ZNKUVEYZUAZQOY-PZJWPPBQSA-N 1 2 403.526 4.874 50 0 HJAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000024118801 558589922 /nfs/dbraw/zinc/58/99/22/558589922.db2.gz NWSOKAABEVAZOT-UHFFFAOYSA-N 1 2 410.901 4.567 50 0 HJAALO CCc1[nH+]c(SCC(=O)N[C@@H](C)c2ccco2)nc(N)c1-c1ccc(Cl)cc1 ZINC000025589099 558645177 /nfs/dbraw/zinc/64/51/77/558645177.db2.gz UVPWKTYUQNOEKT-LBPRGKRZSA-N 1 2 416.934 4.504 50 0 HJAALO Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)oc2c1 ZINC000028290126 558696553 /nfs/dbraw/zinc/69/65/53/558696553.db2.gz CIPULZXAAOAAFA-LJQANCHMSA-N 1 2 424.928 4.630 50 0 HJAALO COc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c2[nH+]ccn2C)c1 ZINC000029729883 558719484 /nfs/dbraw/zinc/71/94/84/558719484.db2.gz IDQZIFQJSMUCNN-JTSKRJEESA-N 1 2 406.530 4.702 50 0 HJAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000029870126 558722890 /nfs/dbraw/zinc/72/28/90/558722890.db2.gz NYKMJXDJDXBTPV-QFIPXVFZSA-N 1 2 420.484 4.607 50 0 HJAALO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000059387777 558727208 /nfs/dbraw/zinc/72/72/08/558727208.db2.gz ZUGPEHCIBMPAQE-SNVBAGLBSA-N 1 2 404.791 4.851 50 0 HJAALO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000059387777 558727209 /nfs/dbraw/zinc/72/72/09/558727209.db2.gz ZUGPEHCIBMPAQE-SNVBAGLBSA-N 1 2 404.791 4.851 50 0 HJAALO COc1ccccc1Nc1ncc2c(n1)CC[N@@H+](Cc1ccc(OC(C)C)cc1)C2 ZINC000015778872 558753119 /nfs/dbraw/zinc/75/31/19/558753119.db2.gz KOTJDKXGRBTAJJ-UHFFFAOYSA-N 1 2 404.514 4.574 50 0 HJAALO COc1ccccc1Nc1ncc2c(n1)CC[N@H+](Cc1ccc(OC(C)C)cc1)C2 ZINC000015778872 558753121 /nfs/dbraw/zinc/75/31/21/558753121.db2.gz KOTJDKXGRBTAJJ-UHFFFAOYSA-N 1 2 404.514 4.574 50 0 HJAALO Cc1ccc2[nH]c(N3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)[nH+]c2c1 ZINC000033070720 558866254 /nfs/dbraw/zinc/86/62/54/558866254.db2.gz PXWOURQRRKYJKF-UHFFFAOYSA-N 1 2 416.569 4.569 50 0 HJAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)[nH]c2c1 ZINC000033070720 558866257 /nfs/dbraw/zinc/86/62/57/558866257.db2.gz PXWOURQRRKYJKF-UHFFFAOYSA-N 1 2 416.569 4.569 50 0 HJAALO CCOc1ccccc1[C@H]1C(C(=O)N(CC)CC)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000004787053 559064097 /nfs/dbraw/zinc/06/40/97/559064097.db2.gz WHEIVRRSGSTEQW-QFIPXVFZSA-N 1 2 404.514 4.592 50 0 HJAALO Cc1cc2c(cc1C)CN(c1cccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c1)C2 ZINC000095520133 559085074 /nfs/dbraw/zinc/08/50/74/559085074.db2.gz ZJJZQXWKFXOWMY-FQEVSTJZSA-N 1 2 400.526 4.567 50 0 HJAALO O=C(Cc1ccc(F)cc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023319982 559125850 /nfs/dbraw/zinc/12/58/50/559125850.db2.gz ZISROHJEUGYEBR-VWLOTQADSA-N 1 2 422.931 4.955 50 0 HJAALO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(Cl)c4C)CC3)n2)cc1 ZINC000049403304 568448223 /nfs/dbraw/zinc/44/82/23/568448223.db2.gz UFOKZBIOFMLPNQ-UHFFFAOYSA-N 1 2 424.932 4.825 50 0 HJAALO Cc1cccc(C)c1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000000790173 568478878 /nfs/dbraw/zinc/47/88/78/568478878.db2.gz GDCVEBGFSHEWSY-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)c1 ZINC000020177860 568592828 /nfs/dbraw/zinc/59/28/28/568592828.db2.gz AAOPIHLHSLIQEI-UHFFFAOYSA-N 1 2 422.838 4.731 50 0 HJAALO CCOc1cc(C[NH2+][C@H](C)c2ncc(C)o2)ccc1OCCOc1ccc(F)cc1 ZINC000095468632 568625402 /nfs/dbraw/zinc/62/54/02/568625402.db2.gz DMNJBEHCXPBJHN-QGZVFWFLSA-N 1 2 414.477 4.829 50 0 HJAALO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H](c2ccccc2)O1 ZINC000225679651 568663739 /nfs/dbraw/zinc/66/37/39/568663739.db2.gz VAADSPYFCUMQFI-JPYJTQIMSA-N 1 2 416.525 4.880 50 0 HJAALO COc1ccc(-c2nnc(N3CCc4c([nH+]c(C(C)C)n4C)C3)c3ccccc32)cc1 ZINC000096006387 568682627 /nfs/dbraw/zinc/68/26/27/568682627.db2.gz XLEJANWQZWCBTK-UHFFFAOYSA-N 1 2 413.525 4.725 50 0 HJAALO Cc1[nH+]c2ccccc2n1CCc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000096008349 568683483 /nfs/dbraw/zinc/68/34/83/568683483.db2.gz HEUPUQREXFNYPJ-UHFFFAOYSA-N 1 2 400.507 4.861 50 0 HJAALO Cc1cc(S(=O)(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)ccc1F ZINC000021357004 568688359 /nfs/dbraw/zinc/68/83/59/568688359.db2.gz FHHOYFWOASIZMT-UHFFFAOYSA-N 1 2 423.513 4.607 50 0 HJAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022460154 568768078 /nfs/dbraw/zinc/76/80/78/568768078.db2.gz LLYIUPRXVAQFCM-AVRDEDQJSA-N 1 2 413.631 4.543 50 0 HJAALO COc1cc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(Cl)c1OC(C)C ZINC000012541487 568848533 /nfs/dbraw/zinc/84/85/33/568848533.db2.gz XYLJKWBCILKLIB-HNNXBMFYSA-N 1 2 413.905 4.813 50 0 HJAALO COc1ccccc1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1[nH+]ccn1C ZINC000012559994 568857216 /nfs/dbraw/zinc/85/72/16/568857216.db2.gz RCNORJSAGKTMGA-KRWDZBQOSA-N 1 2 405.285 4.647 50 0 HJAALO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057718057 568858773 /nfs/dbraw/zinc/85/87/73/568858773.db2.gz CPHFZLPQLUJFSY-ZDUSSCGKSA-N 1 2 408.449 4.700 50 0 HJAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000012585882 568866280 /nfs/dbraw/zinc/86/62/80/568866280.db2.gz WLPQOMWWFSVMMW-UHFFFAOYSA-N 1 2 420.534 4.589 50 0 HJAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000012585882 568866281 /nfs/dbraw/zinc/86/62/81/568866281.db2.gz WLPQOMWWFSVMMW-UHFFFAOYSA-N 1 2 420.534 4.589 50 0 HJAALO C[C@@H](c1nnc(SCC(=O)c2cccs2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000003379610 568892161 /nfs/dbraw/zinc/89/21/61/568892161.db2.gz CFNLLYZRIRMEKT-LBPRGKRZSA-N 1 2 406.964 4.580 50 0 HJAALO CC[N@H+](CCCNC(=O)c1cc2c(s1)c1ccccc1oc2=O)c1ccccc1 ZINC000004192672 568950447 /nfs/dbraw/zinc/95/04/47/568950447.db2.gz QNCBQGSVFRSUDI-UHFFFAOYSA-N 1 2 406.507 4.654 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1cc2c(s1)c1ccccc1oc2=O)c1ccccc1 ZINC000004192672 568950450 /nfs/dbraw/zinc/95/04/50/568950450.db2.gz QNCBQGSVFRSUDI-UHFFFAOYSA-N 1 2 406.507 4.654 50 0 HJAALO O=C(c1ccc(-n2ccc3ccccc32)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015732329 568982522 /nfs/dbraw/zinc/98/25/22/568982522.db2.gz ZLWCQWXGVSZQEO-UHFFFAOYSA-N 1 2 401.535 4.650 50 0 HJAALO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310299 568988544 /nfs/dbraw/zinc/98/85/44/568988544.db2.gz JFZUEQPQCXWPCW-IBGZPJMESA-N 1 2 400.906 4.585 50 0 HJAALO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310299 568988545 /nfs/dbraw/zinc/98/85/45/568988545.db2.gz JFZUEQPQCXWPCW-IBGZPJMESA-N 1 2 400.906 4.585 50 0 HJAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1cc2ccccc2oc1=O ZINC000015861912 569015682 /nfs/dbraw/zinc/01/56/82/569015682.db2.gz BTPOLGUOOKJAPE-UHFFFAOYSA-N 1 2 409.445 4.707 50 0 HJAALO Cc1ccc(S(=O)(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c(C)c1 ZINC000015870650 569017238 /nfs/dbraw/zinc/01/72/38/569017238.db2.gz SXQLKQQFOVUVSR-UHFFFAOYSA-N 1 2 419.550 4.776 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000012931234 569024661 /nfs/dbraw/zinc/02/46/61/569024661.db2.gz CFSVPBGISHHZEZ-OAQYLSRUSA-N 1 2 414.477 4.936 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000012931234 569024662 /nfs/dbraw/zinc/02/46/62/569024662.db2.gz CFSVPBGISHHZEZ-OAQYLSRUSA-N 1 2 414.477 4.936 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccc(Cl)cc4)CC3)cn2)cc1C ZINC000035403651 569035603 /nfs/dbraw/zinc/03/56/03/569035603.db2.gz DRHWTLVCJMSMIY-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccc(Cl)cc4)CC3)cn2)cc1C ZINC000035403651 569035604 /nfs/dbraw/zinc/03/56/04/569035604.db2.gz DRHWTLVCJMSMIY-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO Cn1c(CCc2ccc(NC(=O)c3ccc(Br)o3)cc2)[nH+]c2ccccc21 ZINC000064690745 569082513 /nfs/dbraw/zinc/08/25/13/569082513.db2.gz MUUWAOIWTIQTJG-UHFFFAOYSA-N 1 2 424.298 4.966 50 0 HJAALO CC(C)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(=O)c1ccccc1F ZINC000006696913 569092506 /nfs/dbraw/zinc/09/25/06/569092506.db2.gz SKNCRZHBGGSQSH-UHFFFAOYSA-N 1 2 403.860 4.914 50 0 HJAALO CCOC(=O)CC1=CC(SCC(=O)Nc2ccccc2)=[NH+]c2cc(C)c(C)cc2N1 ZINC000064869972 569112346 /nfs/dbraw/zinc/11/23/46/569112346.db2.gz GJPBTXNXGPYIBQ-UHFFFAOYSA-N 1 2 423.538 4.968 50 0 HJAALO Cc1cc(C(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(C)s1 ZINC000007318445 569233421 /nfs/dbraw/zinc/23/34/21/569233421.db2.gz UBAJCBJIDPLFER-UHFFFAOYSA-N 1 2 412.584 4.516 50 0 HJAALO Cc1ccc2nc(N(CCCn3cc[nH+]c3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000007424674 569238172 /nfs/dbraw/zinc/23/81/72/569238172.db2.gz DLETWPXERJOAPT-SOFGYWHQSA-N 1 2 408.552 4.999 50 0 HJAALO O=C(c1oc2ccccc2c1CSc1ncccn1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000071853804 569254654 /nfs/dbraw/zinc/25/46/54/569254654.db2.gz YWLUZIFXWUGTJY-KRWDZBQOSA-N 1 2 419.510 4.606 50 0 HJAALO C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000170655322 569295435 /nfs/dbraw/zinc/29/54/35/569295435.db2.gz JWQIIAWXYGNEJH-CQSZACIVSA-N 1 2 407.861 4.823 50 0 HJAALO COc1cccc([C@@H](C)Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000079001625 569423523 /nfs/dbraw/zinc/42/35/23/569423523.db2.gz BWQRUZYHOHNCEA-GOSISDBHSA-N 1 2 408.571 4.784 50 0 HJAALO Cc1nnc([C@H]2CCC[N@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)[nH]1 ZINC000079108999 569427838 /nfs/dbraw/zinc/42/78/38/569427838.db2.gz CYYIEVPEILVESJ-SFHVURJKSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1nnc([C@H]2CCC[N@@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)[nH]1 ZINC000079108999 569427840 /nfs/dbraw/zinc/42/78/40/569427840.db2.gz CYYIEVPEILVESJ-SFHVURJKSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n1 ZINC000079108999 569427842 /nfs/dbraw/zinc/42/78/42/569427842.db2.gz CYYIEVPEILVESJ-SFHVURJKSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n1 ZINC000079108999 569427844 /nfs/dbraw/zinc/42/78/44/569427844.db2.gz CYYIEVPEILVESJ-SFHVURJKSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1nc([C@H]2CCC[N@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n[nH]1 ZINC000079108999 569427846 /nfs/dbraw/zinc/42/78/46/569427846.db2.gz CYYIEVPEILVESJ-SFHVURJKSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1nc([C@H]2CCC[N@@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n[nH]1 ZINC000079108999 569427848 /nfs/dbraw/zinc/42/78/48/569427848.db2.gz CYYIEVPEILVESJ-SFHVURJKSA-N 1 2 420.948 4.544 50 0 HJAALO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)c2cc(-c3ccco3)on2)CC1 ZINC000038671744 571060552 /nfs/dbraw/zinc/06/05/52/571060552.db2.gz VAXLQYXEEFMRHB-UHFFFAOYSA-N 1 2 404.470 4.525 50 0 HJAALO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000040103759 571164452 /nfs/dbraw/zinc/16/44/52/571164452.db2.gz ZYWVAVRMWYSRFM-GOSISDBHSA-N 1 2 412.965 4.851 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cn3cc(C)ccc3n1)CC2 ZINC000009155445 571231768 /nfs/dbraw/zinc/23/17/68/571231768.db2.gz RORHNXAMTRFPKF-AREMUKBSSA-N 1 2 413.521 4.808 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cn3cc(C)ccc3n1)CC2 ZINC000009155445 571231769 /nfs/dbraw/zinc/23/17/69/571231769.db2.gz RORHNXAMTRFPKF-AREMUKBSSA-N 1 2 413.521 4.808 50 0 HJAALO Cc1nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c(C(C)C)c(C)[nH+]1 ZINC000006279832 132310146 /nfs/dbraw/zinc/31/01/46/132310146.db2.gz OJMBERQDVQBRCJ-UHFFFAOYSA-N 1 2 414.553 4.846 50 0 HJAALO COc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)c(OC)c1 ZINC000032960924 523749105 /nfs/dbraw/zinc/74/91/05/523749105.db2.gz CRMMNFALKWMJTR-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO COc1ccc(C(=O)Nc2ccc(CCc3[nH]c4cc(C)ccc4[nH+]3)cc2)c(OC)c1 ZINC000032960924 523749118 /nfs/dbraw/zinc/74/91/18/523749118.db2.gz CRMMNFALKWMJTR-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO COc1ccc(C(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1OC ZINC000032960815 523749210 /nfs/dbraw/zinc/74/92/10/523749210.db2.gz IAFIPFPYPDMWKT-UHFFFAOYSA-N 1 2 415.493 4.628 50 0 HJAALO C[N@@H+]1CCc2nc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)sc2C1 ZINC000032753168 524003051 /nfs/dbraw/zinc/00/30/51/524003051.db2.gz ZBVNLXCFAXKOQM-UHFFFAOYSA-N 1 2 422.535 4.767 50 0 HJAALO C[N@H+]1CCc2nc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)sc2C1 ZINC000032753168 524003053 /nfs/dbraw/zinc/00/30/53/524003053.db2.gz ZBVNLXCFAXKOQM-UHFFFAOYSA-N 1 2 422.535 4.767 50 0 HJAALO C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032907398 525238044 /nfs/dbraw/zinc/23/80/44/525238044.db2.gz FVVWPUWBSZNVQK-INIZCTEOSA-N 1 2 416.506 4.677 50 0 HJAALO Cc1cc(O[C@@H](C)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)ccc1C(C)C ZINC000048354122 525378440 /nfs/dbraw/zinc/37/84/40/525378440.db2.gz IFJAOSVAEFTBBH-JTSKRJEESA-N 1 2 409.505 4.664 50 0 HJAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccsc4)CC3)c3ccccc3n2)o1 ZINC000023968253 525721073 /nfs/dbraw/zinc/72/10/73/525721073.db2.gz FWSGKWFAAXFUIG-UHFFFAOYSA-N 1 2 417.534 4.823 50 0 HJAALO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000032824993 525883645 /nfs/dbraw/zinc/88/36/45/525883645.db2.gz KYTIWXUDGJNXME-MRXNPFEDSA-N 1 2 405.527 4.538 50 0 HJAALO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000032797303 526037762 /nfs/dbraw/zinc/03/77/62/526037762.db2.gz PAHXTRRHRMARAH-INIZCTEOSA-N 1 2 423.517 4.635 50 0 HJAALO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000032797303 526037767 /nfs/dbraw/zinc/03/77/67/526037767.db2.gz PAHXTRRHRMARAH-INIZCTEOSA-N 1 2 423.517 4.635 50 0 HJAALO O=C(Nc1ccccc1Sc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020363122 527435797 /nfs/dbraw/zinc/43/57/97/527435797.db2.gz PWAUGKJLNUQMRW-UHFFFAOYSA-N 1 2 404.535 4.922 50 0 HJAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccccc1 ZINC000004742070 557591194 /nfs/dbraw/zinc/59/11/94/557591194.db2.gz UDPOQQNMNHSUQI-HSZRJFAPSA-N 1 2 410.477 4.973 50 0 HJAALO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=[NH+]3)c1 ZINC000002707266 557744250 /nfs/dbraw/zinc/74/42/50/557744250.db2.gz GEVQATVEGQLRGU-VXKWHMMOSA-N 1 2 414.490 4.561 50 0 HJAALO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000019909395 558306401 /nfs/dbraw/zinc/30/64/01/558306401.db2.gz IWQJMRBOMOJZJC-JOCHJYFZSA-N 1 2 422.956 4.569 50 0 HJAALO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)Cc2ccsc2)CC1 ZINC000012151238 558339173 /nfs/dbraw/zinc/33/91/73/558339173.db2.gz MIHCARVVLALFEP-UHFFFAOYSA-N 1 2 407.461 4.831 50 0 HJAALO CC(C)c1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012401763 558397476 /nfs/dbraw/zinc/39/74/76/558397476.db2.gz SRPNPULVWHGGIY-UHFFFAOYSA-N 1 2 420.332 4.559 50 0 HJAALO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc1 ZINC000012437736 558409571 /nfs/dbraw/zinc/40/95/71/558409571.db2.gz HBWTVAXSUGLTDU-GOSISDBHSA-N 1 2 421.566 4.698 50 0 HJAALO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc1 ZINC000012437736 558409573 /nfs/dbraw/zinc/40/95/73/558409573.db2.gz HBWTVAXSUGLTDU-GOSISDBHSA-N 1 2 421.566 4.698 50 0 HJAALO C[N@@H+](Cc1ccc2ccccc2c1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000023956940 558582591 /nfs/dbraw/zinc/58/25/91/558582591.db2.gz DLHSKXXPWZQDHB-HHHXNRCGSA-N 1 2 423.516 4.850 50 0 HJAALO C[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000023956940 558582595 /nfs/dbraw/zinc/58/25/95/558582595.db2.gz DLHSKXXPWZQDHB-HHHXNRCGSA-N 1 2 423.516 4.850 50 0 HJAALO Cc1ccc(OCC[N@@H+](Cc2ccccc2)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000024528326 558600409 /nfs/dbraw/zinc/60/04/09/558600409.db2.gz AKKGCXSWBYKZQT-UHFFFAOYSA-N 1 2 405.523 4.787 50 0 HJAALO Cc1ccc(OCC[N@H+](Cc2ccccc2)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000024528326 558600412 /nfs/dbraw/zinc/60/04/12/558600412.db2.gz AKKGCXSWBYKZQT-UHFFFAOYSA-N 1 2 405.523 4.787 50 0 HJAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2ncn(CCc3cccs3)c2=S)cc1 ZINC000014210690 558637804 /nfs/dbraw/zinc/63/78/04/558637804.db2.gz OCKBQTPLUKZFOH-LJQANCHMSA-N 1 2 400.573 4.521 50 0 HJAALO COc1ccc([C@H]2CCC[N@H+]2Cn2ncn(CCc3cccs3)c2=S)cc1 ZINC000014210690 558637806 /nfs/dbraw/zinc/63/78/06/558637806.db2.gz OCKBQTPLUKZFOH-LJQANCHMSA-N 1 2 400.573 4.521 50 0 HJAALO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000025461838 558641702 /nfs/dbraw/zinc/64/17/02/558641702.db2.gz QXUWLMFSODWAKG-UHFFFAOYSA-N 1 2 407.461 4.514 50 0 HJAALO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000025461838 558641704 /nfs/dbraw/zinc/64/17/04/558641704.db2.gz QXUWLMFSODWAKG-UHFFFAOYSA-N 1 2 407.461 4.514 50 0 HJAALO C[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014814193 558674133 /nfs/dbraw/zinc/67/41/33/558674133.db2.gz QBHOFUWSPWJWAN-JOCHJYFZSA-N 1 2 417.933 4.974 50 0 HJAALO C[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014814193 558674136 /nfs/dbraw/zinc/67/41/36/558674136.db2.gz QBHOFUWSPWJWAN-JOCHJYFZSA-N 1 2 417.933 4.974 50 0 HJAALO CCCN1CC[NH+](CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000022937873 558726061 /nfs/dbraw/zinc/72/60/61/558726061.db2.gz LMJBKTQETHFGKU-UHFFFAOYSA-N 1 2 423.992 4.780 50 0 HJAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000035610494 558794154 /nfs/dbraw/zinc/79/41/54/558794154.db2.gz NQSCRHLKEUFXKM-UHFFFAOYSA-N 1 2 401.535 4.638 50 0 HJAALO COc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)cc1OC ZINC000035615859 558794462 /nfs/dbraw/zinc/79/44/62/558794462.db2.gz UWLBBUFPZLOFGP-UHFFFAOYSA-N 1 2 403.438 4.799 50 0 HJAALO COC(=O)c1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc(OC)c(OC)c2)cc1 ZINC000035616461 558794719 /nfs/dbraw/zinc/79/47/19/558794719.db2.gz QIZXFWCNTVJFDB-UHFFFAOYSA-N 1 2 417.465 4.857 50 0 HJAALO O=C(C[N@@H+](Cc1cc(F)cc(F)c1)C1CC1)N1CCS[C@@H]1c1ccccc1Cl ZINC000035843649 558795423 /nfs/dbraw/zinc/79/54/23/558795423.db2.gz NDKTWVDWIFPSQJ-OAQYLSRUSA-N 1 2 422.928 4.857 50 0 HJAALO O=C(C[N@H+](Cc1cc(F)cc(F)c1)C1CC1)N1CCS[C@@H]1c1ccccc1Cl ZINC000035843649 558795427 /nfs/dbraw/zinc/79/54/27/558795427.db2.gz NDKTWVDWIFPSQJ-OAQYLSRUSA-N 1 2 422.928 4.857 50 0 HJAALO C[C@]12CC3CC(C(=O)N4CC[NH+](Cc5cccc(Cl)c5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000017082116 558814077 /nfs/dbraw/zinc/81/40/77/558814077.db2.gz KDLXEHZHJJWOSJ-ZPKAHVHTSA-N 1 2 400.994 4.981 50 0 HJAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000033034462 558858519 /nfs/dbraw/zinc/85/85/19/558858519.db2.gz QKKBNLBRXHDDFJ-UHFFFAOYSA-N 1 2 422.960 4.675 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000033116512 558877680 /nfs/dbraw/zinc/87/76/80/558877680.db2.gz YMWKFEAIPCMITH-UHFFFAOYSA-N 1 2 405.523 4.642 50 0 HJAALO CCOCCN1CC[NH+]([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019369484 558877896 /nfs/dbraw/zinc/87/78/96/558877896.db2.gz CPMIJBSXELTQTD-HXUWFJFHSA-N 1 2 402.991 4.743 50 0 HJAALO CCOCCN1CC[NH+]([C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019369482 558877980 /nfs/dbraw/zinc/87/79/80/558877980.db2.gz CPMIJBSXELTQTD-FQEVSTJZSA-N 1 2 402.991 4.743 50 0 HJAALO CC(=O)c1ccc(N2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 ZINC000055307256 558878846 /nfs/dbraw/zinc/87/88/46/558878846.db2.gz PTFFWMGTQVZPOV-UHFFFAOYSA-N 1 2 409.917 4.828 50 0 HJAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2ccccc2c1 ZINC000057291793 558888014 /nfs/dbraw/zinc/88/80/14/558888014.db2.gz RFXGDVGAXFBBQE-UHFFFAOYSA-N 1 2 413.443 4.619 50 0 HJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC000019534534 558913529 /nfs/dbraw/zinc/91/35/29/558913529.db2.gz PHTXOQLVYPXDRM-FQEVSTJZSA-N 1 2 417.534 4.997 50 0 HJAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC000019534534 558913531 /nfs/dbraw/zinc/91/35/31/558913531.db2.gz PHTXOQLVYPXDRM-FQEVSTJZSA-N 1 2 417.534 4.997 50 0 HJAALO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000058447250 558927805 /nfs/dbraw/zinc/92/78/05/558927805.db2.gz CIXYVUJNRJDNJF-FQEVSTJZSA-N 1 2 415.537 4.511 50 0 HJAALO O=C(c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1)N1CCCCCC1 ZINC000065002455 558968884 /nfs/dbraw/zinc/96/88/84/558968884.db2.gz ZPNWZNVQERHZHC-UHFFFAOYSA-N 1 2 414.553 4.578 50 0 HJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(O)c2)cc1 ZINC000004731523 559032735 /nfs/dbraw/zinc/03/27/35/559032735.db2.gz GFPYNSYXEUQWKR-QHCPKHFHSA-N 1 2 410.477 4.978 50 0 HJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000023273056 559078136 /nfs/dbraw/zinc/07/81/36/559078136.db2.gz YFQLTRNBPGZOCN-UHFFFAOYSA-N 1 2 422.838 4.731 50 0 HJAALO Cc1ccc(F)cc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023321276 559126173 /nfs/dbraw/zinc/12/61/73/559126173.db2.gz GPCSLMJAVNCDBP-XMMPIXPASA-N 1 2 406.476 4.821 50 0 HJAALO Cc1ccc(OCCn2c[nH+]c3cc(C)c(C)cc32)c(I)c1 ZINC000014084397 559149453 /nfs/dbraw/zinc/14/94/53/559149453.db2.gz IGUXCFIDDAQVCR-UHFFFAOYSA-N 1 2 406.267 4.645 50 0 HJAALO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC[NH2+]CS(=O)(=O)c2ccc(F)cc2)C1(C)C ZINC000033434068 559191872 /nfs/dbraw/zinc/19/18/72/559191872.db2.gz KYMABHKBLRJVOF-SIKLNZKXSA-N 1 2 414.546 4.766 50 0 HJAALO CC(C)[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccccc1F ZINC000004918148 559204505 /nfs/dbraw/zinc/20/45/05/559204505.db2.gz ABCFUFFZWNALRZ-OAQYLSRUSA-N 1 2 406.954 4.964 50 0 HJAALO CC(C)[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccccc1F ZINC000004918148 559204506 /nfs/dbraw/zinc/20/45/06/559204506.db2.gz ABCFUFFZWNALRZ-OAQYLSRUSA-N 1 2 406.954 4.964 50 0 HJAALO CC1CC[NH+](CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)CC1 ZINC000005451050 560590173 /nfs/dbraw/zinc/59/01/73/560590173.db2.gz PYZJOABILHYLAO-UHFFFAOYSA-N 1 2 410.901 4.784 50 0 HJAALO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000003411452 560594299 /nfs/dbraw/zinc/59/42/99/560594299.db2.gz VNXBNJMSCVVRMA-UHFFFAOYSA-N 1 2 422.356 4.899 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000003411452 560594301 /nfs/dbraw/zinc/59/43/01/560594301.db2.gz VNXBNJMSCVVRMA-UHFFFAOYSA-N 1 2 422.356 4.899 50 0 HJAALO CC(C)c1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000005576377 560624537 /nfs/dbraw/zinc/62/45/37/560624537.db2.gz QTFJEIGAQLCGEY-UHFFFAOYSA-N 1 2 403.511 4.670 50 0 HJAALO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)[NH+]2CCN(C)CC2)c1C ZINC000020192880 568593632 /nfs/dbraw/zinc/59/36/32/568593632.db2.gz QPMRIGGEHMPDDV-QFIPXVFZSA-N 1 2 423.582 4.855 50 0 HJAALO C[C@H](c1cccnc1)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CC1 ZINC000095446753 568612143 /nfs/dbraw/zinc/61/21/43/568612143.db2.gz VCMTWPFZVRWBHK-UZLBHIALSA-N 1 2 420.538 4.639 50 0 HJAALO C[C@H](c1cccnc1)[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CC1 ZINC000095446753 568612146 /nfs/dbraw/zinc/61/21/46/568612146.db2.gz VCMTWPFZVRWBHK-UZLBHIALSA-N 1 2 420.538 4.639 50 0 HJAALO Cc1ccc(C)c(Cn2c3ccccc3[nH+]c2N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000021159531 568674532 /nfs/dbraw/zinc/67/45/32/568674532.db2.gz CCFXWIRDQWQCRA-UHFFFAOYSA-N 1 2 416.569 4.540 50 0 HJAALO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccc(Cl)s4)CC3)o2)cc1 ZINC000096124637 568701013 /nfs/dbraw/zinc/70/10/13/568701013.db2.gz XNQAZCDMWGLRTK-HNNXBMFYSA-N 1 2 402.951 4.639 50 0 HJAALO CC[C@@H](C)c1nc(N2CCN(C(=O)C3CC3)CC2)c(Cc2cc(C)ccc2C)c(C)[nH+]1 ZINC000096316964 568726074 /nfs/dbraw/zinc/72/60/74/568726074.db2.gz BHAZRMGHURUASF-GOSISDBHSA-N 1 2 420.601 4.565 50 0 HJAALO CC[C@@H](C)c1nc(N2CCN(C(=O)C(C)C)CC2)c(Cc2cc(C)ccc2C)c(C)[nH+]1 ZINC000096316952 568726106 /nfs/dbraw/zinc/72/61/06/568726106.db2.gz BWZLRGHERUIYIB-LJQANCHMSA-N 1 2 422.617 4.811 50 0 HJAALO CC[C@H](C)c1nc(N2CCN(C(=O)CC(C)C)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317301 568726648 /nfs/dbraw/zinc/72/66/48/568726648.db2.gz JSRSWAZYAGYVCZ-FQEVSTJZSA-N 1 2 422.617 4.892 50 0 HJAALO CCOc1ccccc1N1CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000057281283 568825617 /nfs/dbraw/zinc/82/56/17/568825617.db2.gz QLPDZJQZBXWQKW-MRXNPFEDSA-N 1 2 400.473 4.713 50 0 HJAALO CSCc1c2ccccc2oc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012535690 568845271 /nfs/dbraw/zinc/84/52/71/568845271.db2.gz SMIJHUGCQBQRJQ-IBGZPJMESA-N 1 2 409.486 4.688 50 0 HJAALO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000012535848 568845704 /nfs/dbraw/zinc/84/57/04/568845704.db2.gz XNHRHUKOSIWNTN-UHFFFAOYSA-N 1 2 422.941 4.567 50 0 HJAALO CC[N@H+](CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000003044497 568848354 /nfs/dbraw/zinc/84/83/54/568848354.db2.gz LGTTVIJCKKWUMC-UHFFFAOYSA-N 1 2 410.521 4.943 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000003044497 568848356 /nfs/dbraw/zinc/84/83/56/568848356.db2.gz LGTTVIJCKKWUMC-UHFFFAOYSA-N 1 2 410.521 4.943 50 0 HJAALO C[C@@H](c1nnc(SCc2ccc(-n3cccn3)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000012554096 568854904 /nfs/dbraw/zinc/85/49/04/568854904.db2.gz JBTSNCMRXWYFBA-INIZCTEOSA-N 1 2 422.533 4.507 50 0 HJAALO COCc1c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)sc2cccc(F)c21 ZINC000012556831 568855995 /nfs/dbraw/zinc/85/59/95/568855995.db2.gz WNQGSHOHNPTEIT-AWEZNQCLSA-N 1 2 409.486 4.864 50 0 HJAALO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012575930 568862528 /nfs/dbraw/zinc/86/25/28/568862528.db2.gz UEIXRVJRCCOAHO-GOSISDBHSA-N 1 2 424.298 4.757 50 0 HJAALO COC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658754 568867088 /nfs/dbraw/zinc/86/70/88/568867088.db2.gz SSQYQQITSVGRBC-HNNXBMFYSA-N 1 2 419.506 4.750 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000012604006 568870676 /nfs/dbraw/zinc/87/06/76/568870676.db2.gz MAKRSJAUPBMSFT-FQEVSTJZSA-N 1 2 422.941 4.645 50 0 HJAALO COC[C@H](C)n1c(COc2ccccc2F)nn(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1=S ZINC000003310202 568877925 /nfs/dbraw/zinc/87/79/25/568877925.db2.gz PVOVWDJZOPIROK-BBWFWOEESA-N 1 2 422.570 4.560 50 0 HJAALO COC[C@H](C)n1c(COc2ccccc2F)nn(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1=S ZINC000003310202 568877926 /nfs/dbraw/zinc/87/79/26/568877926.db2.gz PVOVWDJZOPIROK-BBWFWOEESA-N 1 2 422.570 4.560 50 0 HJAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000003540874 568913846 /nfs/dbraw/zinc/91/38/46/568913846.db2.gz SYRSDSHSEYNVAE-UHFFFAOYSA-N 1 2 405.336 4.652 50 0 HJAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000003540874 568913847 /nfs/dbraw/zinc/91/38/47/568913847.db2.gz SYRSDSHSEYNVAE-UHFFFAOYSA-N 1 2 405.336 4.652 50 0 HJAALO O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2cnoc2-c2ccc(Cl)s2)CC1 ZINC000084387919 568948472 /nfs/dbraw/zinc/94/84/72/568948472.db2.gz QHPGDXLQUCGLMC-UHFFFAOYSA-N 1 2 422.337 4.668 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cn2nc(C)n(Cc3ccccc3)c2=S)c1 ZINC000008151146 568977536 /nfs/dbraw/zinc/97/75/36/568977536.db2.gz VRLGIBHFUBATJW-OAQYLSRUSA-N 1 2 424.570 4.583 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cn2nc(C)n(Cc3ccccc3)c2=S)c1 ZINC000008151146 568977538 /nfs/dbraw/zinc/97/75/38/568977538.db2.gz VRLGIBHFUBATJW-OAQYLSRUSA-N 1 2 424.570 4.583 50 0 HJAALO Fc1ccc(-c2csc3ncnc(Sc4nnc(C[NH+]5CCCC5)o4)c23)cc1 ZINC000008201028 568982536 /nfs/dbraw/zinc/98/25/36/568982536.db2.gz NSHNKDKQUZGQFF-UHFFFAOYSA-N 1 2 413.503 4.627 50 0 HJAALO COc1ccc(-c2nc(C[NH+]3CCN(c4nc5ccccc5s4)CC3)cs2)cc1 ZINC000012815812 568989572 /nfs/dbraw/zinc/98/95/72/568989572.db2.gz ZRNVHMJJKYKUTB-UHFFFAOYSA-N 1 2 422.579 4.751 50 0 HJAALO O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccco1 ZINC000015859298 569015061 /nfs/dbraw/zinc/01/50/61/569015061.db2.gz ASRZTWLUPSQXKZ-JOCHJYFZSA-N 1 2 402.450 4.700 50 0 HJAALO CCc1cccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4Cl)c3)CC2)c1 ZINC000015862817 569016033 /nfs/dbraw/zinc/01/60/33/569016033.db2.gz TXJWDPUDTMYRGF-UHFFFAOYSA-N 1 2 420.944 4.816 50 0 HJAALO CCc1cccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4Cl)c3)CC2)c1 ZINC000015862817 569016034 /nfs/dbraw/zinc/01/60/34/569016034.db2.gz TXJWDPUDTMYRGF-UHFFFAOYSA-N 1 2 420.944 4.816 50 0 HJAALO Cc1ccc(S(=O)(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1C ZINC000015870652 569017296 /nfs/dbraw/zinc/01/72/96/569017296.db2.gz JXVQRJGMXPJOJE-UHFFFAOYSA-N 1 2 419.550 4.776 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc(C(F)(F)F)c1 ZINC000015880218 569017959 /nfs/dbraw/zinc/01/79/59/569017959.db2.gz ZTVBLIZBGMYWDN-UHFFFAOYSA-N 1 2 417.456 4.973 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc(C(F)(F)F)c1 ZINC000015880218 569017960 /nfs/dbraw/zinc/01/79/60/569017960.db2.gz ZTVBLIZBGMYWDN-UHFFFAOYSA-N 1 2 417.456 4.973 50 0 HJAALO COc1ccc(CCC2CC[NH+]([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000012926852 569023873 /nfs/dbraw/zinc/02/38/73/569023873.db2.gz GGMXKENELVRDJB-MRXNPFEDSA-N 1 2 402.485 4.645 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccc(C)cc4Cl)CC3)cn2)cc1 ZINC000035403822 569035567 /nfs/dbraw/zinc/03/55/67/569035567.db2.gz XNAVKFRBQWDJIL-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccc(C)cc4Cl)CC3)cn2)cc1 ZINC000035403822 569035568 /nfs/dbraw/zinc/03/55/68/569035568.db2.gz XNAVKFRBQWDJIL-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO COc1cc(C)ccc1O[C@H](C)C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575620833 569038937 /nfs/dbraw/zinc/03/89/37/569038937.db2.gz TTWCKJBBAIXMRX-QGZVFWFLSA-N 1 2 405.498 4.609 50 0 HJAALO COc1cc(C)ccc1O[C@@H](C)C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575620827 569038948 /nfs/dbraw/zinc/03/89/48/569038948.db2.gz TTWCKJBBAIXMRX-KRWDZBQOSA-N 1 2 405.498 4.609 50 0 HJAALO Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCN(c3ccccc3F)CC2)c1C ZINC000054072982 569056977 /nfs/dbraw/zinc/05/69/77/569056977.db2.gz DIJJPECVZRLDED-UHFFFAOYSA-N 1 2 413.518 4.672 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690048 569070624 /nfs/dbraw/zinc/07/06/24/569070624.db2.gz FBNLDIQREBTOAP-WBMJQRKESA-N 1 2 424.492 4.899 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690048 569070625 /nfs/dbraw/zinc/07/06/25/569070625.db2.gz FBNLDIQREBTOAP-WBMJQRKESA-N 1 2 424.492 4.899 50 0 HJAALO CCCNC(=O)N(Cc1ccco1)Cc1[nH+]ccn1Cc1ccc(C(F)(F)F)cc1 ZINC000006689738 569089415 /nfs/dbraw/zinc/08/94/15/569089415.db2.gz 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ZINC000067288464 571066027 /nfs/dbraw/zinc/06/60/27/571066027.db2.gz FIVQZTNIWACWCO-UHFFFAOYSA-N 1 2 423.488 4.629 50 0 HJAALO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000040037398 571141618 /nfs/dbraw/zinc/14/16/18/571141618.db2.gz RWGNBGRLCWPEKO-UHFFFAOYSA-N 1 2 420.534 4.676 50 0 HJAALO C[C@@H]1Sc2ccc(C(=O)Nc3ccc(-c4cn5c([nH+]4)CCCC5)cc3)cc2NC1=O ZINC000040156294 571203428 /nfs/dbraw/zinc/20/34/28/571203428.db2.gz HIOJZDWSJFRWPH-AWEZNQCLSA-N 1 2 418.522 4.571 50 0 HJAALO COc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1OC ZINC000032960619 523749960 /nfs/dbraw/zinc/74/99/60/523749960.db2.gz HDAMOTVNLZFGHL-UHFFFAOYSA-N 1 2 401.466 4.618 50 0 HJAALO Cc1ccc(Cl)cc1NC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000032953853 524751159 /nfs/dbraw/zinc/75/11/59/524751159.db2.gz ZUIKOSVYCXEUFG-UHFFFAOYSA-N 1 2 410.905 4.986 50 0 HJAALO C[C@@H](NC(=O)C[NH+](Cc1cccs1)Cc1cccs1)c1ccc(F)cc1F ZINC000032775753 525099919 /nfs/dbraw/zinc/09/99/19/525099919.db2.gz KVYOSAIMGQEDSD-CQSZACIVSA-N 1 2 406.523 4.967 50 0 HJAALO Cc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c(Cl)c1 ZINC000032953843 525185404 /nfs/dbraw/zinc/18/54/04/525185404.db2.gz ITJFKUDPCXAWTI-UHFFFAOYSA-N 1 2 410.905 4.986 50 0 HJAALO COc1ccc2cc([C@H](C)C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)ccc2c1 ZINC000032830715 525638150 /nfs/dbraw/zinc/63/81/50/525638150.db2.gz FBUADDGIKLEDFL-QMHKHESXSA-N 1 2 417.484 4.730 50 0 HJAALO COc1cccc(CNC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c1 ZINC000032953809 525993735 /nfs/dbraw/zinc/99/37/35/525993735.db2.gz MFHKMLYYUIOIGD-UHFFFAOYSA-N 1 2 404.514 4.864 50 0 HJAALO Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000032905572 526241479 /nfs/dbraw/zinc/24/14/79/526241479.db2.gz VGNSRBAXYCBZLK-UHFFFAOYSA-N 1 2 423.516 4.709 50 0 HJAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000032860073 526749548 /nfs/dbraw/zinc/74/95/48/526749548.db2.gz CXWQMHPOEBUXPI-UHFFFAOYSA-N 1 2 408.914 4.638 50 0 HJAALO O=C(c1nc(Cl)ccc1Cl)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757374 526915654 /nfs/dbraw/zinc/91/56/54/526915654.db2.gz KMNSTBDKJQQBKJ-UHFFFAOYSA-N 1 2 406.338 4.561 50 0 HJAALO Cc1nc2sc3c(c2c2nc(-c4ccccc4)nn21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020566155 527208722 /nfs/dbraw/zinc/20/87/22/527208722.db2.gz MMCFBZPNEXHQJD-UHFFFAOYSA-N 1 2 411.534 4.873 50 0 HJAALO Cc1nc2sc3c(c2c2nc(-c4ccccc4)nn21)CC[N@H+](Cc1ccccc1)C3 ZINC000020566155 527208727 /nfs/dbraw/zinc/20/87/27/527208727.db2.gz MMCFBZPNEXHQJD-UHFFFAOYSA-N 1 2 411.534 4.873 50 0 HJAALO COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000001068851 557168159 /nfs/dbraw/zinc/16/81/59/557168159.db2.gz BPBLHYUZTCPQST-HSZRJFAPSA-N 1 2 410.477 4.973 50 0 HJAALO Cc1[nH+]c2ccccc2n1[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000001109938 557182594 /nfs/dbraw/zinc/18/25/94/557182594.db2.gz GGOHXTAHLUDSOK-MRXNPFEDSA-N 1 2 407.779 4.522 50 0 HJAALO CCCCc1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 ZINC000071889312 557294068 /nfs/dbraw/zinc/29/40/68/557294068.db2.gz NKGNIEHURSDSGU-QFIPXVFZSA-N 1 2 424.589 4.709 50 0 HJAALO Cc1ccc(NC(=O)c2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)cc1 ZINC000034668413 557361968 /nfs/dbraw/zinc/36/19/68/557361968.db2.gz WMLABFUOERVGRD-UHFFFAOYSA-N 1 2 403.501 4.709 50 0 HJAALO COc1ccc(CN(Cc2ccco2)c2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000004323166 557541093 /nfs/dbraw/zinc/54/10/93/557541093.db2.gz ZZDZRVHLDANEOG-UHFFFAOYSA-N 1 2 411.465 4.624 50 0 HJAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccccc1 ZINC000004742069 557591196 /nfs/dbraw/zinc/59/11/96/557591196.db2.gz UDPOQQNMNHSUQI-QHCPKHFHSA-N 1 2 410.477 4.973 50 0 HJAALO Cc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1F)N1NC=NC1=[NH+]2 ZINC000006504839 557705833 /nfs/dbraw/zinc/70/58/33/557705833.db2.gz YYDSFJWQMQLFEM-ZEQRLZLVSA-N 1 2 410.452 4.938 50 0 HJAALO O[C@@H](CSc1cccs1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019834687 558292289 /nfs/dbraw/zinc/29/22/89/558292289.db2.gz BSQCPSUSGDEXDQ-JOCHJYFZSA-N 1 2 424.635 4.608 50 0 HJAALO COc1ccccc1C[NH+]1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000020204849 558346550 /nfs/dbraw/zinc/34/65/50/558346550.db2.gz WRKNWRLQWXEIMY-UHFFFAOYSA-N 1 2 411.933 4.630 50 0 HJAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000012305893 558374706 /nfs/dbraw/zinc/37/47/06/558374706.db2.gz UZGXIGKLVSRJEZ-UHFFFAOYSA-N 1 2 416.525 4.787 50 0 HJAALO C[N@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccc(OC(F)F)cc1 ZINC000012797116 558469839 /nfs/dbraw/zinc/46/98/39/558469839.db2.gz ZHTBJLDXHCBRQF-UHFFFAOYSA-N 1 2 421.444 4.621 50 0 HJAALO C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccc(OC(F)F)cc1 ZINC000012797116 558469841 /nfs/dbraw/zinc/46/98/41/558469841.db2.gz ZHTBJLDXHCBRQF-UHFFFAOYSA-N 1 2 421.444 4.621 50 0 HJAALO CC(C)[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004406027 558501306 /nfs/dbraw/zinc/50/13/06/558501306.db2.gz YFSBPTNNUGMDEK-NRFANRHFSA-N 1 2 408.489 4.589 50 0 HJAALO CC(C)[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004406027 558501307 /nfs/dbraw/zinc/50/13/07/558501307.db2.gz YFSBPTNNUGMDEK-NRFANRHFSA-N 1 2 408.489 4.589 50 0 HJAALO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=[NH+]3)cc1 ZINC000013122776 558517478 /nfs/dbraw/zinc/51/74/78/558517478.db2.gz DSVOYVNWGMJQFR-YADHBBJMSA-N 1 2 414.490 4.561 50 0 HJAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4CC[C@H]5CCCC[C@@H]5C4)cc3)cn2c1 ZINC000023233246 558544034 /nfs/dbraw/zinc/54/40/34/558544034.db2.gz ZNKUVEYZUAZQOY-TZIWHRDSSA-N 1 2 403.526 4.874 50 0 HJAALO C[C@@H](c1ccon1)[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000013594431 558546878 /nfs/dbraw/zinc/54/68/78/558546878.db2.gz HJPICJMHBDHMLH-KRWDZBQOSA-N 1 2 416.481 4.508 50 0 HJAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000013594431 558546882 /nfs/dbraw/zinc/54/68/82/558546882.db2.gz HJPICJMHBDHMLH-KRWDZBQOSA-N 1 2 416.481 4.508 50 0 HJAALO O=c1[nH]c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2cc(Cl)ccc12 ZINC000023828623 558577282 /nfs/dbraw/zinc/57/72/82/558577282.db2.gz QHRGYGPWOXOQPJ-UHFFFAOYSA-N 1 2 410.930 4.978 50 0 HJAALO CCOc1ccc(/N=c2\scc(-c3ccccc3)n2CCC[NH+]2CCOCC2)cc1 ZINC000013806540 558594931 /nfs/dbraw/zinc/59/49/31/558594931.db2.gz YGNXREPPIDLDHY-IZHYLOQSSA-N 1 2 423.582 4.570 50 0 HJAALO O=C(c1cc(-c2ccco2)nc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000014117256 558621704 /nfs/dbraw/zinc/62/17/04/558621704.db2.gz SHNTXDUUWWUBSH-UHFFFAOYSA-N 1 2 403.507 4.514 50 0 HJAALO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2nc(C(C)C)cs2)CC1 ZINC000014964416 558685182 /nfs/dbraw/zinc/68/51/82/558685182.db2.gz UWTJMARYEDSKPJ-UHFFFAOYSA-N 1 2 416.587 4.881 50 0 HJAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000014972308 558687893 /nfs/dbraw/zinc/68/78/93/558687893.db2.gz LZKVMVJNJDTMRS-FQEVSTJZSA-N 1 2 405.498 4.619 50 0 HJAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000014972308 558687897 /nfs/dbraw/zinc/68/78/97/558687897.db2.gz LZKVMVJNJDTMRS-FQEVSTJZSA-N 1 2 405.498 4.619 50 0 HJAALO CC(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000028290476 558696685 /nfs/dbraw/zinc/69/66/85/558696685.db2.gz FUUQLVJXOIELHU-XMMPIXPASA-N 1 2 408.586 4.911 50 0 HJAALO Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)o1 ZINC000015309974 558731603 /nfs/dbraw/zinc/73/16/03/558731603.db2.gz RKRXBGGJOGTQMD-GOSISDBHSA-N 1 2 411.889 4.888 50 0 HJAALO Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)o1 ZINC000015309974 558731604 /nfs/dbraw/zinc/73/16/04/558731604.db2.gz RKRXBGGJOGTQMD-GOSISDBHSA-N 1 2 411.889 4.888 50 0 HJAALO C[N@@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000016033165 558769465 /nfs/dbraw/zinc/76/94/65/558769465.db2.gz ASQFCOLZFPITDH-WPWBMXPQSA-N 1 2 416.908 4.716 50 0 HJAALO C[N@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000016033165 558769468 /nfs/dbraw/zinc/76/94/68/558769468.db2.gz ASQFCOLZFPITDH-WPWBMXPQSA-N 1 2 416.908 4.716 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000016262930 558781843 /nfs/dbraw/zinc/78/18/43/558781843.db2.gz BOMMRCYHJPLJRK-SFHVURJKSA-N 1 2 400.265 4.993 50 0 HJAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000035828010 558795501 /nfs/dbraw/zinc/79/55/01/558795501.db2.gz BXFVGWBVNXUZST-UHFFFAOYSA-N 1 2 419.525 4.777 50 0 HJAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(Cl)cc1)N1CCSCC1 ZINC000072328504 558864147 /nfs/dbraw/zinc/86/41/47/558864147.db2.gz OVUVODVYYYSRRO-UHFFFAOYSA-N 1 2 415.921 4.828 50 0 HJAALO COC(=O)c1ccc(C2N(Cc3ccccc3)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000019319831 558867295 /nfs/dbraw/zinc/86/72/95/558867295.db2.gz YPUWJEFFNGJXPY-UHFFFAOYSA-N 1 2 400.522 4.880 50 0 HJAALO COC(=O)c1ccc(C2N(Cc3ccccc3)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000019319831 558867296 /nfs/dbraw/zinc/86/72/96/558867296.db2.gz YPUWJEFFNGJXPY-UHFFFAOYSA-N 1 2 400.522 4.880 50 0 HJAALO COc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)c(C)c1C ZINC000004626086 558890202 /nfs/dbraw/zinc/89/02/02/558890202.db2.gz OOSUUJAXHZINAQ-UHFFFAOYSA-N 1 2 421.522 4.736 50 0 HJAALO COc1cc(OC)c(C2=CC[N@@H+]([C@@H](C)C(=O)c3c[nH]c4ccccc43)CC2)c(OC)c1 ZINC000057970456 558892251 /nfs/dbraw/zinc/89/22/51/558892251.db2.gz ZISDJACZCDFFGD-INIZCTEOSA-N 1 2 420.509 4.554 50 0 HJAALO COc1cc(OC)c(C2=CC[N@H+]([C@@H](C)C(=O)c3c[nH]c4ccccc43)CC2)c(OC)c1 ZINC000057970456 558892253 /nfs/dbraw/zinc/89/22/53/558892253.db2.gz ZISDJACZCDFFGD-INIZCTEOSA-N 1 2 420.509 4.554 50 0 HJAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000058014248 558895288 /nfs/dbraw/zinc/89/52/88/558895288.db2.gz PWSXXFWOKAKSBG-LJQANCHMSA-N 1 2 403.958 4.763 50 0 HJAALO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000058447252 558927741 /nfs/dbraw/zinc/92/77/41/558927741.db2.gz CIXYVUJNRJDNJF-HXUWFJFHSA-N 1 2 415.537 4.511 50 0 HJAALO COc1ccc(-c2nc3c(C)cccc3cc2C[N@H+](C)Cc2ncc[nH]2)cc1OC ZINC000072407013 558977242 /nfs/dbraw/zinc/97/72/42/558977242.db2.gz PTHWBIYDDULLEL-UHFFFAOYSA-N 1 2 402.498 4.583 50 0 HJAALO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+](C)Cc2ncc[nH]2)cc1OC ZINC000072407013 558977246 /nfs/dbraw/zinc/97/72/46/558977246.db2.gz PTHWBIYDDULLEL-UHFFFAOYSA-N 1 2 402.498 4.583 50 0 HJAALO CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(Cl)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004786895 559063978 /nfs/dbraw/zinc/06/39/78/559063978.db2.gz SRKHYPOWZRNXIW-OAQYLSRUSA-N 1 2 406.917 4.991 50 0 HJAALO CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(Cl)c2)n2c3ccccc3[nH+]c2N1 ZINC000004787010 559064075 /nfs/dbraw/zinc/06/40/75/559064075.db2.gz CJRHFJYIEIXZKD-NRFANRHFSA-N 1 2 406.917 4.991 50 0 HJAALO Cc1cccn2cc(COc3cccc(C(=O)NCCc4c[nH]c5ccccc45)c3)[nH+]c12 ZINC000011557516 559102036 /nfs/dbraw/zinc/10/20/36/559102036.db2.gz CLOKJBJVBSNRAB-UHFFFAOYSA-N 1 2 424.504 4.676 50 0 HJAALO CC[NH+](CC)c1ccc(C[C@@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@@H]23)cc1 ZINC000011582400 559112399 /nfs/dbraw/zinc/11/23/99/559112399.db2.gz MHYKHABQBMXVEA-AOYPEHQESA-N 1 2 411.549 4.949 50 0 HJAALO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000011685538 559177102 /nfs/dbraw/zinc/17/71/02/559177102.db2.gz SASURYOTGZCARP-AWEZNQCLSA-N 1 2 421.551 4.634 50 0 HJAALO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000248107811 559262594 /nfs/dbraw/zinc/26/25/94/559262594.db2.gz JILLUIZZNALCHL-LHSJRXKWSA-N 1 2 411.596 4.887 50 0 HJAALO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000248107811 559262595 /nfs/dbraw/zinc/26/25/95/559262595.db2.gz JILLUIZZNALCHL-LHSJRXKWSA-N 1 2 411.596 4.887 50 0 HJAALO O=C(c1ccccc1Br)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062129256 560580398 /nfs/dbraw/zinc/58/03/98/560580398.db2.gz OLWGIPDDQAEOQJ-UHFFFAOYSA-N 1 2 424.342 4.865 50 0 HJAALO C[C@H]1CCC[N@@H+]([C@@H](c2sc3nc(-c4ccco4)nn3c2O)c2ccc(F)cc2)C1 ZINC000102894352 560833205 /nfs/dbraw/zinc/83/32/05/560833205.db2.gz DVIMSPQILAHPRU-SUMWQHHRSA-N 1 2 412.490 4.717 50 0 HJAALO C[C@H]1CCC[N@H+]([C@@H](c2sc3nc(-c4ccco4)nn3c2O)c2ccc(F)cc2)C1 ZINC000102894352 560833207 /nfs/dbraw/zinc/83/32/07/560833207.db2.gz DVIMSPQILAHPRU-SUMWQHHRSA-N 1 2 412.490 4.717 50 0 HJAALO C[C@@H](c1cccnc1)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000108144675 560897973 /nfs/dbraw/zinc/89/79/73/560897973.db2.gz VCMTWPFZVRWBHK-OXJNMPFZSA-N 1 2 420.538 4.639 50 0 HJAALO C[C@@H](c1cccnc1)[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000108144675 560897975 /nfs/dbraw/zinc/89/79/75/560897975.db2.gz VCMTWPFZVRWBHK-OXJNMPFZSA-N 1 2 420.538 4.639 50 0 HJAALO CC1CC[NH+]([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)CC1 ZINC000022852565 568415581 /nfs/dbraw/zinc/41/55/81/568415581.db2.gz FENZKNZTVGUNDT-OAHLLOKOSA-N 1 2 400.529 4.639 50 0 HJAALO C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000047934789 568431573 /nfs/dbraw/zinc/43/15/73/568431573.db2.gz FUKOGRCWYYKDKK-OAHLLOKOSA-N 1 2 402.420 4.511 50 0 HJAALO CCCN(C)c1nc(SCc2ccc(C(=O)NCC(C)C)cc2)[nH+]c(C)c1C ZINC000006765641 568459083 /nfs/dbraw/zinc/45/90/83/568459083.db2.gz BUIRZGUIPHIYQL-UHFFFAOYSA-N 1 2 400.592 4.618 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000008118062 568492185 /nfs/dbraw/zinc/49/21/85/568492185.db2.gz HZZZUOOPVXPHKS-GOSISDBHSA-N 1 2 408.716 4.829 50 0 HJAALO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccn3)C[C@H]2C)sc1-c1ccc(F)cc1 ZINC000225384301 568633262 /nfs/dbraw/zinc/63/32/62/568633262.db2.gz ROXSKPNCVYCXEM-QGZVFWFLSA-N 1 2 409.530 4.604 50 0 HJAALO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccn3)C[C@H]2C)sc1-c1ccc(F)cc1 ZINC000225384301 568633263 /nfs/dbraw/zinc/63/32/63/568633263.db2.gz ROXSKPNCVYCXEM-QGZVFWFLSA-N 1 2 409.530 4.604 50 0 HJAALO C[C@H](c1cc2ccccc2o1)N(CCC[NH+]1CCOCC1)C(=S)Nc1ccccc1 ZINC000020729296 568640644 /nfs/dbraw/zinc/64/06/44/568640644.db2.gz DWCVJQUACQZHGW-LJQANCHMSA-N 1 2 423.582 4.915 50 0 HJAALO CC(C)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)c(Cl)c1 ZINC000225522675 568646651 /nfs/dbraw/zinc/64/66/51/568646651.db2.gz VZDHPHVGQAUAAX-UHFFFAOYSA-N 1 2 402.325 4.946 50 0 HJAALO CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020902059 568650135 /nfs/dbraw/zinc/65/01/35/568650135.db2.gz CUZLPWPPBUJSMW-RUZDIDTESA-N 1 2 413.565 4.909 50 0 HJAALO CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020902059 568650137 /nfs/dbraw/zinc/65/01/37/568650137.db2.gz CUZLPWPPBUJSMW-RUZDIDTESA-N 1 2 413.565 4.909 50 0 HJAALO Cc1cc(S(=O)(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)ccc1F ZINC000021357314 568688405 /nfs/dbraw/zinc/68/84/05/568688405.db2.gz DKPDSJQSYHZUEC-UHFFFAOYSA-N 1 2 423.513 4.607 50 0 HJAALO Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)c(C)c1 ZINC000021357228 568688427 /nfs/dbraw/zinc/68/84/27/568688427.db2.gz BJXQRJBVHZBYDT-UHFFFAOYSA-N 1 2 405.523 4.766 50 0 HJAALO O=C(Cc1ccccc1Cl)NCCn1c(CCc2ccccc2)[nH+]c2ccccc21 ZINC000096320577 568728456 /nfs/dbraw/zinc/72/84/56/568728456.db2.gz HJKNOVQECQWVTD-UHFFFAOYSA-N 1 2 417.940 4.834 50 0 HJAALO c1cn(-c2nc(N(c3ccccc3)c3ccccc3)nc(N3CCCCCC3)n2)c[nH+]1 ZINC000001080487 568767708 /nfs/dbraw/zinc/76/77/08/568767708.db2.gz RHPYWZACEMTDJT-UHFFFAOYSA-N 1 2 411.513 4.908 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000029316962 568824169 /nfs/dbraw/zinc/82/41/69/568824169.db2.gz XBRVLKCUXAHQLJ-QGZVFWFLSA-N 1 2 422.838 4.681 50 0 HJAALO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057270785 568825476 /nfs/dbraw/zinc/82/54/76/568825476.db2.gz PJHCICUBIVKZPF-DEOSSOPVSA-N 1 2 414.484 4.823 50 0 HJAALO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057270785 568825478 /nfs/dbraw/zinc/82/54/78/568825478.db2.gz PJHCICUBIVKZPF-DEOSSOPVSA-N 1 2 414.484 4.823 50 0 HJAALO Cc1ccc(-c2csc3[nH]c(C[N@H+]4CCC[C@@H]4c4cccn4C)nc(=O)c23)s1 ZINC000057292112 568826237 /nfs/dbraw/zinc/82/62/37/568826237.db2.gz AGKXGVQDRHKCCJ-MRXNPFEDSA-N 1 2 410.568 4.697 50 0 HJAALO Cc1ccc(-c2csc3[nH]c(C[N@@H+]4CCC[C@@H]4c4cccn4C)nc(=O)c23)s1 ZINC000057292112 568826238 /nfs/dbraw/zinc/82/62/38/568826238.db2.gz AGKXGVQDRHKCCJ-MRXNPFEDSA-N 1 2 410.568 4.697 50 0 HJAALO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000057406250 568832688 /nfs/dbraw/zinc/83/26/88/568832688.db2.gz KZPMPXXJBUHUBU-RUZDIDTESA-N 1 2 415.537 4.511 50 0 HJAALO COc1cccc([C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)c1 ZINC000012507647 568839592 /nfs/dbraw/zinc/83/95/92/568839592.db2.gz DXUVBROHLAQQDU-QGZVFWFLSA-N 1 2 405.285 4.647 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000057481561 568841366 /nfs/dbraw/zinc/84/13/66/568841366.db2.gz WESZFEPIDFFJTJ-ISKFKSNPSA-N 1 2 403.526 4.859 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1cccn1C ZINC000057481561 568841367 /nfs/dbraw/zinc/84/13/67/568841367.db2.gz WESZFEPIDFFJTJ-ISKFKSNPSA-N 1 2 403.526 4.859 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000012560174 568857533 /nfs/dbraw/zinc/85/75/33/568857533.db2.gz AYRMAZPOFBJLFM-SFHVURJKSA-N 1 2 408.716 4.829 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000012604008 568870708 /nfs/dbraw/zinc/87/07/08/568870708.db2.gz MAKRSJAUPBMSFT-HXUWFJFHSA-N 1 2 422.941 4.645 50 0 HJAALO Cc1nc2cc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)ccc2n1-c1ccccc1 ZINC000025666105 568907440 /nfs/dbraw/zinc/90/74/40/568907440.db2.gz DOBJZPSGPSWJCX-UHFFFAOYSA-N 1 2 421.504 4.509 50 0 HJAALO Cc1cc(I)cn2cc(-c3cccc(C(F)(F)F)c3)[nH+]c12 ZINC000004003121 568932822 /nfs/dbraw/zinc/93/28/22/568932822.db2.gz MCWMTPMTNZVJLF-UHFFFAOYSA-N 1 2 402.157 4.933 50 0 HJAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)C1 ZINC000012780686 568957768 /nfs/dbraw/zinc/95/77/68/568957768.db2.gz UHKPWWJHVFVFBG-GFCCVEGCSA-N 1 2 414.358 4.699 50 0 HJAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)C1 ZINC000012780686 568957769 /nfs/dbraw/zinc/95/77/69/568957769.db2.gz UHKPWWJHVFVFBG-GFCCVEGCSA-N 1 2 414.358 4.699 50 0 HJAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)cc1OCC ZINC000015779039 569001824 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4.912 50 0 HJAALO COC(=O)c1cc(C[N@@H+](C)[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)oc1C ZINC000035310641 569031086 /nfs/dbraw/zinc/03/10/86/569031086.db2.gz MZQPTFYOTBDCKX-QHCPKHFHSA-N 1 2 416.477 4.912 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4cccc(Cl)c4)CC3)cn2)cc1C ZINC000035403499 569035561 /nfs/dbraw/zinc/03/55/61/569035561.db2.gz YGXUJCGMCXHYBI-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4cccc(Cl)c4)CC3)cn2)cc1C ZINC000035403499 569035562 /nfs/dbraw/zinc/03/55/62/569035562.db2.gz YGXUJCGMCXHYBI-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO CC[NH+](CC)c1ccc(C[C@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@H]23)cc1 ZINC000001788270 569053083 /nfs/dbraw/zinc/05/30/83/569053083.db2.gz MHYKHABQBMXVEA-AHWVRZQESA-N 1 2 411.549 4.949 50 0 HJAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2c(C)c1Cl ZINC000054106043 569057672 /nfs/dbraw/zinc/05/76/72/569057672.db2.gz ABAZYMPWFIPILI-UHFFFAOYSA-N 1 2 400.881 4.525 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591634 569060101 /nfs/dbraw/zinc/06/01/01/569060101.db2.gz XVCZYIFVWVQIPK-XLIONFOSSA-N 1 2 406.448 4.958 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591634 569060102 /nfs/dbraw/zinc/06/01/02/569060102.db2.gz XVCZYIFVWVQIPK-XLIONFOSSA-N 1 2 406.448 4.958 50 0 HJAALO COC[C@H](C)n1c(COc2ccccc2F)nn(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1=S ZINC000006587778 569067862 /nfs/dbraw/zinc/06/78/62/569067862.db2.gz PVOVWDJZOPIROK-ULQDDVLXSA-N 1 2 422.570 4.560 50 0 HJAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC3CCCCCCC3)csc2C1 ZINC000426359949 569072583 /nfs/dbraw/zinc/07/25/83/569072583.db2.gz PGIGNNVQNYELIS-UHFFFAOYSA-N 1 2 401.576 4.754 50 0 HJAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC3CCCCCCC3)csc2C1 ZINC000426359949 569072584 /nfs/dbraw/zinc/07/25/84/569072584.db2.gz PGIGNNVQNYELIS-UHFFFAOYSA-N 1 2 401.576 4.754 50 0 HJAALO Cc1cc(C)c2c(c1)C(C)=CC(C)(C)N2C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000169681440 569127455 /nfs/dbraw/zinc/12/74/55/569127455.db2.gz NVIYIUOEPOIRQZ-UHFFFAOYSA-N 1 2 403.570 4.654 50 0 HJAALO COc1ccccc1[C@@H]1c2cccn2CCC[N@H+]1Cc1ccc(OC)c(OC)c1OC ZINC000036347728 569144178 /nfs/dbraw/zinc/14/41/78/569144178.db2.gz ZDWKZUSUBSOBFA-HSZRJFAPSA-N 1 2 422.525 4.518 50 0 HJAALO COc1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1ccc(OC)c(OC)c1OC ZINC000036347728 569144180 /nfs/dbraw/zinc/14/41/80/569144180.db2.gz ZDWKZUSUBSOBFA-HSZRJFAPSA-N 1 2 422.525 4.518 50 0 HJAALO C[C@H](c1cccs1)[N@H+](C)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000036396662 569169802 /nfs/dbraw/zinc/16/98/02/569169802.db2.gz UXJNTUWHWPHGDC-OAHLLOKOSA-N 1 2 411.556 4.829 50 0 HJAALO C[C@H](c1cccs1)[N@@H+](C)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000036396662 569169803 /nfs/dbraw/zinc/16/98/03/569169803.db2.gz UXJNTUWHWPHGDC-OAHLLOKOSA-N 1 2 411.556 4.829 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CC(=O)Nc1cccc(C)c1)CC2 ZINC000036448816 569184223 /nfs/dbraw/zinc/18/42/23/569184223.db2.gz IYUUVDBHZZOGIW-DEOSSOPVSA-N 1 2 422.550 4.660 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CC(=O)Nc1cccc(C)c1)CC2 ZINC000036448816 569184224 /nfs/dbraw/zinc/18/42/24/569184224.db2.gz IYUUVDBHZZOGIW-DEOSSOPVSA-N 1 2 422.550 4.660 50 0 HJAALO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000013320505 569254849 /nfs/dbraw/zinc/25/48/49/569254849.db2.gz UPEQXWRKVDNECG-UHFFFAOYSA-N 1 2 403.857 4.770 50 0 HJAALO FC(F)(F)c1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c2ccccc2n1 ZINC000089866639 569267443 /nfs/dbraw/zinc/26/74/43/569267443.db2.gz QFSKODCWAFORPE-QGZVFWFLSA-N 1 2 407.461 4.801 50 0 HJAALO NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCCc1[nH]c2ccccc2[nH+]1 ZINC000252549112 569294014 /nfs/dbraw/zinc/29/40/14/569294014.db2.gz QVOHQFDHFPVCGJ-UHFFFAOYSA-N 1 2 415.522 4.881 50 0 HJAALO Cc1cc2[nH+]c(Cc3ccccc3F)n([C@@H](C)C(=O)NCc3ccccn3)c2cc1C ZINC000037397496 569296731 /nfs/dbraw/zinc/29/67/31/569296731.db2.gz RABNWEAMDMSFMY-SFHVURJKSA-N 1 2 416.500 4.655 50 0 HJAALO Cc1cc(C)c2c([nH+]1)N(Cc1ccccc1)[C@@H](c1ccc(Br)cc1)NC2=O ZINC000012446267 569401498 /nfs/dbraw/zinc/40/14/98/569401498.db2.gz UMLAXAVCNXBCJE-FQEVSTJZSA-N 1 2 422.326 4.910 50 0 HJAALO C[C@@H](CCc1ccccc1)Nc1c(C(=O)N2CCOCC2)c[nH+]c2ccc(Cl)cc21 ZINC000067288427 571066270 /nfs/dbraw/zinc/06/62/70/571066270.db2.gz SIXWIZLASXFHQI-KRWDZBQOSA-N 1 2 423.944 4.794 50 0 HJAALO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000008748577 571111544 /nfs/dbraw/zinc/11/15/44/571111544.db2.gz LFASMLADLOBMCQ-UHFFFAOYSA-N 1 2 424.976 4.889 50 0 HJAALO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000008748577 571111546 /nfs/dbraw/zinc/11/15/46/571111546.db2.gz LFASMLADLOBMCQ-UHFFFAOYSA-N 1 2 424.976 4.889 50 0 HJAALO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](c1[nH+]ccn1C)C(C)C ZINC000040114434 571172029 /nfs/dbraw/zinc/17/20/29/571172029.db2.gz KBXRQMPMOUQOGX-QGZVFWFLSA-N 1 2 418.950 4.545 50 0 HJAALO O=C(CCc1ccccc1)NC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000040120480 571176537 /nfs/dbraw/zinc/17/65/37/571176537.db2.gz BKAPGXVDMZJBIL-UHFFFAOYSA-N 1 2 411.596 4.585 50 0 HJAALO C[C@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000040143812 571194118 /nfs/dbraw/zinc/19/41/18/571194118.db2.gz QOBXKMNIIIQFAX-QGZVFWFLSA-N 1 2 419.916 4.609 50 0 HJAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12 ZINC000004757629 132287840 /nfs/dbraw/zinc/28/78/40/132287840.db2.gz TUHLMQFPZUALMZ-UHFFFAOYSA-N 1 2 403.482 4.761 50 0 HJAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CCC(=O)NCCC(C)C)cc12 ZINC000004881639 132291525 /nfs/dbraw/zinc/29/15/25/132291525.db2.gz BSJYCYNQHSNRAI-UHFFFAOYSA-N 1 2 424.589 4.661 50 0 HJAALO Cc1ccc(-c2noc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1F ZINC000012638961 132365672 /nfs/dbraw/zinc/36/56/72/132365672.db2.gz AIAKZGAKRBJQGO-UHFFFAOYSA-N 1 2 420.410 4.525 50 0 HJAALO C[C@H]1C[NH+](CCOc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)C[C@H](C)O1 ZINC000020591294 524601993 /nfs/dbraw/zinc/60/19/93/524601993.db2.gz MOMCYAXYJWYDSO-HOTGVXAUSA-N 1 2 413.901 4.601 50 0 HJAALO Cc1cc(O[C@H](C)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)ccc1C(C)C ZINC000048354125 525382943 /nfs/dbraw/zinc/38/29/43/525382943.db2.gz IFJAOSVAEFTBBH-VGOFRKELSA-N 1 2 409.505 4.664 50 0 HJAALO Cc1cc2occ(CC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)c2cc1C(C)C ZINC000030220016 525695432 /nfs/dbraw/zinc/69/54/32/525695432.db2.gz CFTCVKFXZTZQEK-UHFFFAOYSA-N 1 2 401.510 4.968 50 0 HJAALO O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032860061 527334227 /nfs/dbraw/zinc/33/42/27/527334227.db2.gz VLVXWRBIYRMUSJ-UHFFFAOYSA-N 1 2 422.941 4.567 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(C(F)(F)F)c1)[NH+]1CCC(C)CC1)S2 ZINC000022853350 557840282 /nfs/dbraw/zinc/84/02/82/557840282.db2.gz NFXIHPCKVFAECE-INIZCTEOSA-N 1 2 424.492 4.899 50 0 HJAALO COc1ccc(CSc2nc(SC)nc3sc4c(c32)CC[N@@H+](C)C4)cc1 ZINC000020394282 558359321 /nfs/dbraw/zinc/35/93/21/558359321.db2.gz SIFUFRPUANAHRV-UHFFFAOYSA-N 1 2 403.598 4.702 50 0 HJAALO COc1ccc(CSc2nc(SC)nc3sc4c(c32)CC[N@H+](C)C4)cc1 ZINC000020394282 558359323 /nfs/dbraw/zinc/35/93/23/558359323.db2.gz SIFUFRPUANAHRV-UHFFFAOYSA-N 1 2 403.598 4.702 50 0 HJAALO CCc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)cc1 ZINC000004341744 558425349 /nfs/dbraw/zinc/42/53/49/558425349.db2.gz FJWIIQROWYOQBE-UHFFFAOYSA-N 1 2 417.538 4.726 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2ccon2)cc1F ZINC000012578776 558431833 /nfs/dbraw/zinc/43/18/33/558431833.db2.gz UFEDPTLTDDJOMS-UHFFFAOYSA-N 1 2 406.461 4.615 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2ccon2)cc1F ZINC000012578776 558431835 /nfs/dbraw/zinc/43/18/35/558431835.db2.gz UFEDPTLTDDJOMS-UHFFFAOYSA-N 1 2 406.461 4.615 50 0 HJAALO COc1ccc([C@H](NC(=O)c2cc3c(s2)CCCCCC3)c2[nH+]ccn2C)cc1 ZINC000022471123 558491592 /nfs/dbraw/zinc/49/15/92/558491592.db2.gz PYJYPTRNPUZPBQ-NRFANRHFSA-N 1 2 409.555 4.669 50 0 HJAALO O=C(CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Sc2ccccc2)cc1 ZINC000022574674 558499681 /nfs/dbraw/zinc/49/96/81/558499681.db2.gz WOFKBWXLZYDXDH-UHFFFAOYSA-N 1 2 402.563 4.838 50 0 HJAALO C[C@@H](c1nnc(SCCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490715 558609341 /nfs/dbraw/zinc/60/93/41/558609341.db2.gz LFVHUCWIVZEFTN-AWEZNQCLSA-N 1 2 420.941 4.854 50 0 HJAALO C[C@@H]1CC2(CCCC2)N2C(=O)[C@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cc(F)cc1c32 ZINC000014162435 558626318 /nfs/dbraw/zinc/62/63/18/558626318.db2.gz NIYJZVRPYNEMJD-WZQKQDCOSA-N 1 2 415.512 4.863 50 0 biogenic HJAALO Cc1ccc(N2CC[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@H]2C)cc1 ZINC000014216424 558638148 /nfs/dbraw/zinc/63/81/48/558638148.db2.gz HJEZVWPMELFVSJ-QGZVFWFLSA-N 1 2 407.539 4.558 50 0 HJAALO Cc1ccc(N2CC[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@H]2C)cc1 ZINC000014216424 558638150 /nfs/dbraw/zinc/63/81/50/558638150.db2.gz HJEZVWPMELFVSJ-QGZVFWFLSA-N 1 2 407.539 4.558 50 0 HJAALO CC[C@@H](c1nnc(SCc2cc(-c3ccco3)on2)n1Cc1ccccc1)[NH+](C)C ZINC000014244641 558645928 /nfs/dbraw/zinc/64/59/28/558645928.db2.gz QRUFEVADHITNQG-SFHVURJKSA-N 1 2 423.542 4.879 50 0 HJAALO S=c1n(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)nc2ccccn21 ZINC000014254042 558651055 /nfs/dbraw/zinc/65/10/55/558651055.db2.gz HFIRUHVSCKZMPK-UHFFFAOYSA-N 1 2 415.975 4.965 50 0 HJAALO Cc1nc2scc(-c3cccs3)c2c(NCc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000029036348 558708788 /nfs/dbraw/zinc/70/87/88/558708788.db2.gz MKFQVIQCMVMTGQ-UHFFFAOYSA-N 1 2 404.524 4.921 50 0 HJAALO CSc1ccc(C[N@H+](C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000022077892 558779057 /nfs/dbraw/zinc/77/90/57/558779057.db2.gz MYCSWGXBNIJVEN-HSZRJFAPSA-N 1 2 415.566 4.914 50 0 HJAALO CSc1ccc(C[N@@H+](C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000022077892 558779059 /nfs/dbraw/zinc/77/90/59/558779059.db2.gz MYCSWGXBNIJVEN-HSZRJFAPSA-N 1 2 415.566 4.914 50 0 HJAALO COc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc3c(c2)OCO3)cc1OC ZINC000035615869 558794427 /nfs/dbraw/zinc/79/44/27/558794427.db2.gz WXWVDAGAFAAHSJ-UHFFFAOYSA-N 1 2 403.438 4.799 50 0 HJAALO COC(=O)c1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2cc(OC)ccc2OC)cc1 ZINC000035616429 558794644 /nfs/dbraw/zinc/79/46/44/558794644.db2.gz CMPXOXHWSXNNCQ-UHFFFAOYSA-N 1 2 417.465 4.857 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccc(C)c(Cl)c4)CC3)cn2)cc1 ZINC000032995891 558810371 /nfs/dbraw/zinc/81/03/71/558810371.db2.gz MDPKCETWZMGQBC-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccc(C)c(Cl)c4)CC3)cn2)cc1 ZINC000032995891 558810373 /nfs/dbraw/zinc/81/03/73/558810373.db2.gz MDPKCETWZMGQBC-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO COc1ccc2oc(/C=C/[NH+](C)C)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000018045426 558830092 /nfs/dbraw/zinc/83/00/92/558830092.db2.gz JORZSTWCBKIXNK-ZHACJKMWSA-N 1 2 400.272 4.967 50 0 HJAALO O=C(C=Cc1ccc(N2CCCC2=O)cc1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000060331847 558848222 /nfs/dbraw/zinc/84/82/22/558848222.db2.gz FDJXIZJNRAHNKG-MDWZMJQESA-N 1 2 400.482 4.609 50 0 HJAALO CC(C)(Oc1ccc(Cl)cc1)c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000049546745 558850013 /nfs/dbraw/zinc/85/00/13/558850013.db2.gz SGMXKDUUJGJJSH-UHFFFAOYSA-N 1 2 405.955 4.529 50 0 HJAALO CCc1ccc(C[N@H+](C)Cc2nnc(SCc3ccccc3Cl)n2C)cc1 ZINC000055182558 558875065 /nfs/dbraw/zinc/87/50/65/558875065.db2.gz DBJHHIAWMQHMHF-UHFFFAOYSA-N 1 2 400.979 4.955 50 0 HJAALO CCc1ccc(C[N@@H+](C)Cc2nnc(SCc3ccccc3Cl)n2C)cc1 ZINC000055182558 558875066 /nfs/dbraw/zinc/87/50/66/558875066.db2.gz DBJHHIAWMQHMHF-UHFFFAOYSA-N 1 2 400.979 4.955 50 0 HJAALO COc1ccc(C[N@H+](C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1C ZINC000055447647 558881466 /nfs/dbraw/zinc/88/14/66/558881466.db2.gz NOIOTXMHRFONQN-XMMPIXPASA-N 1 2 413.525 4.509 50 0 HJAALO COc1ccc(C[N@@H+](C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1C ZINC000055447647 558881468 /nfs/dbraw/zinc/88/14/68/558881468.db2.gz NOIOTXMHRFONQN-XMMPIXPASA-N 1 2 413.525 4.509 50 0 HJAALO COc1ccc(CSc2[nH+]ccc3c2ccn3CC(=O)NCc2ccc(C)o2)cc1 ZINC000033172288 558900913 /nfs/dbraw/zinc/90/09/13/558900913.db2.gz LPBWNGHQJPDWFU-UHFFFAOYSA-N 1 2 421.522 4.555 50 0 HJAALO Cc1cccc2[nH+]c(CSc3nnc(N4CCCC4)n3-c3cccc(Cl)c3)cn21 ZINC000058155945 558902871 /nfs/dbraw/zinc/90/28/71/558902871.db2.gz MOFSMEXNZBOITJ-UHFFFAOYSA-N 1 2 424.961 4.769 50 0 HJAALO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+](C)C ZINC000058158677 558904043 /nfs/dbraw/zinc/90/40/43/558904043.db2.gz IOGLSPRBHIQGNA-OAQYLSRUSA-N 1 2 413.924 4.606 50 0 HJAALO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004711847 558917582 /nfs/dbraw/zinc/91/75/82/558917582.db2.gz NRWGFJAEHLYGCP-JOCHJYFZSA-N 1 2 422.516 4.980 50 0 HJAALO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004711847 558917584 /nfs/dbraw/zinc/91/75/84/558917584.db2.gz NRWGFJAEHLYGCP-JOCHJYFZSA-N 1 2 422.516 4.980 50 0 HJAALO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)[nH+]3)cc2)cc1C ZINC000072437839 558981188 /nfs/dbraw/zinc/98/11/88/558981188.db2.gz JGULYKGSLQWXNG-UHFFFAOYSA-N 1 2 413.485 4.975 50 0 HJAALO COc1ccccc1C[N@@H+]1CCc2nc(SCc3cc(C)ccc3C)[nH]c(=O)c2C1 ZINC000033287266 559043859 /nfs/dbraw/zinc/04/38/59/559043859.db2.gz LDYZQABMVFGEPJ-UHFFFAOYSA-N 1 2 421.566 4.658 50 0 HJAALO COc1ccccc1C[N@H+]1CCc2nc(SCc3cc(C)ccc3C)[nH]c(=O)c2C1 ZINC000033287266 559043860 /nfs/dbraw/zinc/04/38/60/559043860.db2.gz LDYZQABMVFGEPJ-UHFFFAOYSA-N 1 2 421.566 4.658 50 0 HJAALO Cc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(N(C)C)cc3)[nH+]c12 ZINC000004794020 559066107 /nfs/dbraw/zinc/06/61/07/559066107.db2.gz MUCXQSUAOMLMNV-UHFFFAOYSA-N 1 2 400.482 4.891 50 0 HJAALO O=C(NCc1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023313946 559115657 /nfs/dbraw/zinc/11/56/57/559115657.db2.gz GJQFKMCUZYDDCW-DEOSSOPVSA-N 1 2 419.956 4.957 50 0 HJAALO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC[NH2+]CS(=O)(=O)c2ccc(F)cc2)C1(C)C ZINC000033434066 559191896 /nfs/dbraw/zinc/19/18/96/559191896.db2.gz KYMABHKBLRJVOF-UGKGYDQZSA-N 1 2 414.546 4.766 50 0 HJAALO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC[NH2+]CS(=O)(=O)c2ccc(F)cc2)C1(C)C ZINC000033434062 559191919 /nfs/dbraw/zinc/19/19/19/559191919.db2.gz KYMABHKBLRJVOF-KNQAVFIVSA-N 1 2 414.546 4.766 50 0 HJAALO Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)N1NC=NC1=[NH+]2 ZINC000005055148 559237523 /nfs/dbraw/zinc/23/75/23/559237523.db2.gz VTYVIMHYEBTTCM-LEWJYISDSA-N 1 2 402.454 4.691 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000248158134 559265732 /nfs/dbraw/zinc/26/57/32/559265732.db2.gz WESZFEPIDFFJTJ-LADGPHEKSA-N 1 2 403.526 4.859 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000248158134 559265733 /nfs/dbraw/zinc/26/57/33/559265733.db2.gz WESZFEPIDFFJTJ-LADGPHEKSA-N 1 2 403.526 4.859 50 0 HJAALO Cc1ccc(-n2c(SCc3cn4ccccc4[nH+]3)nnc2-c2cccnc2)c(C)c1 ZINC000006365700 560560452 /nfs/dbraw/zinc/56/04/52/560560452.db2.gz OLLJXYXAJZQYPX-UHFFFAOYSA-N 1 2 412.522 4.886 50 0 HJAALO C[C@H]1c2cc3c(cc2CC[N@H+]1CC(=O)Nc1cc(Cl)cc(Cl)c1)OCCCO3 ZINC000005423545 560584899 /nfs/dbraw/zinc/58/48/99/560584899.db2.gz PUHDMJIPMKOGKK-ZDUSSCGKSA-N 1 2 421.324 4.713 50 0 HJAALO C[C@H]1c2cc3c(cc2CC[N@@H+]1CC(=O)Nc1cc(Cl)cc(Cl)c1)OCCCO3 ZINC000005423545 560584900 /nfs/dbraw/zinc/58/49/00/560584900.db2.gz PUHDMJIPMKOGKK-ZDUSSCGKSA-N 1 2 421.324 4.713 50 0 HJAALO C[C@@H]1CCC[N@@H+]([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000022852559 568415576 /nfs/dbraw/zinc/41/55/76/568415576.db2.gz RMHJLCAYZVGRSG-DOMZBBRYSA-N 1 2 400.529 4.639 50 0 HJAALO C[C@@H]1CCC[N@H+]([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000022852559 568415577 /nfs/dbraw/zinc/41/55/77/568415577.db2.gz RMHJLCAYZVGRSG-DOMZBBRYSA-N 1 2 400.529 4.639 50 0 HJAALO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(Cl)c4)CC3)n2)cc1 ZINC000049403296 568448200 /nfs/dbraw/zinc/44/82/00/568448200.db2.gz MVLICHKHIYPCNA-UHFFFAOYSA-N 1 2 410.905 4.517 50 0 HJAALO CC[N@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1ccccc1 ZINC000033267182 568512232 /nfs/dbraw/zinc/51/22/32/568512232.db2.gz LUYVOBUWKVRNLP-UHFFFAOYSA-N 1 2 410.521 4.943 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1ccccc1 ZINC000033267182 568512233 /nfs/dbraw/zinc/51/22/33/568512233.db2.gz LUYVOBUWKVRNLP-UHFFFAOYSA-N 1 2 410.521 4.943 50 0 HJAALO O=C1[C@H](c2ccccc2)[C@H](c2cccnc2)[NH2+][C@@H](c2cccnc2)[C@@H]1c1ccccc1 ZINC000020115618 568589445 /nfs/dbraw/zinc/58/94/45/568589445.db2.gz QUBUVGOIRQLXMK-QYOOZWMWSA-N 1 2 405.501 4.999 50 0 HJAALO Cc1ccc2cc3cc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)sc3nc2c1 ZINC000020178732 568593001 /nfs/dbraw/zinc/59/30/01/568593001.db2.gz UHFRYRBAXGGDMY-UHFFFAOYSA-N 1 2 401.535 4.716 50 0 HJAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)[NH+]2CCN(C)CC2)c1C ZINC000020192878 568593575 /nfs/dbraw/zinc/59/35/75/568593575.db2.gz SJWVXNOEGXRROR-OAQYLSRUSA-N 1 2 409.555 4.547 50 0 HJAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(-c4ccc(F)cc4)o1)[N@H+](C)CC3)OCO2 ZINC000020281646 568596659 /nfs/dbraw/zinc/59/66/59/568596659.db2.gz NXTZENRKQHCIIQ-KRWDZBQOSA-N 1 2 423.440 4.625 50 0 biogenic HJAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(-c4ccc(F)cc4)o1)[N@@H+](C)CC3)OCO2 ZINC000020281646 568596661 /nfs/dbraw/zinc/59/66/61/568596661.db2.gz NXTZENRKQHCIIQ-KRWDZBQOSA-N 1 2 423.440 4.625 50 0 biogenic HJAALO Cc1ccc2nc(Cl)c3cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)sc3c2c1 ZINC000020321267 568598825 /nfs/dbraw/zinc/59/88/25/568598825.db2.gz JPEJJMMSGTZVFZ-UHFFFAOYSA-N 1 2 422.941 4.769 50 0 HJAALO C[C@@H](c1cccnc1)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CC1 ZINC000095446752 568612294 /nfs/dbraw/zinc/61/22/94/568612294.db2.gz VCMTWPFZVRWBHK-JXFKEZNVSA-N 1 2 420.538 4.639 50 0 HJAALO C[C@@H](c1cccnc1)[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CC1 ZINC000095446752 568612295 /nfs/dbraw/zinc/61/22/95/568612295.db2.gz VCMTWPFZVRWBHK-JXFKEZNVSA-N 1 2 420.538 4.639 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4C)C3)no2)cc1 ZINC000021724835 568751207 /nfs/dbraw/zinc/75/12/07/568751207.db2.gz MKSUSDICLPFCPA-GOSISDBHSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4C)C3)no2)cc1 ZINC000021724835 568751208 /nfs/dbraw/zinc/75/12/08/568751208.db2.gz MKSUSDICLPFCPA-GOSISDBHSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)no2)cc1 ZINC000021724616 568751376 /nfs/dbraw/zinc/75/13/76/568751376.db2.gz ATSAGPSJAZKOTM-KRWDZBQOSA-N 1 2 410.905 4.549 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)no2)cc1 ZINC000021724616 568751379 /nfs/dbraw/zinc/75/13/79/568751379.db2.gz ATSAGPSJAZKOTM-KRWDZBQOSA-N 1 2 410.905 4.549 50 0 HJAALO CCOc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)cc2)cc1 ZINC000025538719 568775316 /nfs/dbraw/zinc/77/53/16/568775316.db2.gz PMESBEZYFIUUID-UHFFFAOYSA-N 1 2 400.438 4.711 50 0 HJAALO COc1cc(NC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)cc(OC)c1 ZINC000028273518 568783790 /nfs/dbraw/zinc/78/37/90/568783790.db2.gz WXCDGVFNWCNTHY-UHFFFAOYSA-N 1 2 419.506 4.896 50 0 HJAALO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000057373532 568830137 /nfs/dbraw/zinc/83/01/37/568830137.db2.gz NIYASLUHMRZTFJ-GOSISDBHSA-N 1 2 424.957 4.981 50 0 HJAALO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000057373532 568830139 /nfs/dbraw/zinc/83/01/39/568830139.db2.gz NIYASLUHMRZTFJ-GOSISDBHSA-N 1 2 424.957 4.981 50 0 HJAALO COC(=O)c1c(NC(=O)C[N@H+]2CC=C(c3ccccc3)CC2)sc2c1CCCCC2 ZINC000005944208 568831551 /nfs/dbraw/zinc/83/15/51/568831551.db2.gz NAJOOCQKCGGQMV-UHFFFAOYSA-N 1 2 424.566 4.531 50 0 HJAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)sc2c1CCCCC2 ZINC000005944208 568831552 /nfs/dbraw/zinc/83/15/52/568831552.db2.gz NAJOOCQKCGGQMV-UHFFFAOYSA-N 1 2 424.566 4.531 50 0 HJAALO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012549661 568852039 /nfs/dbraw/zinc/85/20/39/568852039.db2.gz DBVPDFWZAJRLKU-KPZWWZAWSA-N 1 2 422.287 4.539 50 0 HJAALO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000012559743 568857342 /nfs/dbraw/zinc/85/73/42/568857342.db2.gz HXYYVURFGKNUBK-SGTLLEGYSA-N 1 2 422.287 4.539 50 0 HJAALO O=C(c1ccc(Cl)o1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181191 568858659 /nfs/dbraw/zinc/85/86/59/568858659.db2.gz VLLBCIMGCRBHMN-UHFFFAOYSA-N 1 2 404.894 4.759 50 0 HJAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)C1 ZINC000030581010 568873161 /nfs/dbraw/zinc/87/31/61/568873161.db2.gz ZKCIQTZPYGSLNL-MRXNPFEDSA-N 1 2 421.570 4.690 50 0 HJAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)C1 ZINC000030581010 568873164 /nfs/dbraw/zinc/87/31/64/568873164.db2.gz ZKCIQTZPYGSLNL-MRXNPFEDSA-N 1 2 421.570 4.690 50 0 HJAALO C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C(F)(F)F)cc1 ZINC000003433271 568902050 /nfs/dbraw/zinc/90/20/50/568902050.db2.gz VXVCXJCUBIKIOE-UHFFFAOYSA-N 1 2 419.216 4.678 50 0 HJAALO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C(F)(F)F)cc1 ZINC000003433271 568902048 /nfs/dbraw/zinc/90/20/48/568902048.db2.gz VXVCXJCUBIKIOE-UHFFFAOYSA-N 1 2 419.216 4.678 50 0 HJAALO COc1ccc(C)cc1C[N@H+](C)[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012739413 568926678 /nfs/dbraw/zinc/92/66/78/568926678.db2.gz GHYRWDGHHBDJPX-AWEZNQCLSA-N 1 2 409.511 4.755 50 0 HJAALO COc1ccc(C)cc1C[N@@H+](C)[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012739413 568926680 /nfs/dbraw/zinc/92/66/80/568926680.db2.gz GHYRWDGHHBDJPX-AWEZNQCLSA-N 1 2 409.511 4.755 50 0 HJAALO CCOc1ccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012780846 568957551 /nfs/dbraw/zinc/95/75/51/568957551.db2.gz OBUIMZKEMYIYMS-AWEZNQCLSA-N 1 2 409.511 4.836 50 0 HJAALO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012780846 568957553 /nfs/dbraw/zinc/95/75/53/568957553.db2.gz OBUIMZKEMYIYMS-AWEZNQCLSA-N 1 2 409.511 4.836 50 0 HJAALO Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)cc2)cs1 ZINC000008157029 568978336 /nfs/dbraw/zinc/97/83/36/568978336.db2.gz VAQXSLXGQBXACG-MRXNPFEDSA-N 1 2 418.522 4.707 50 0 HJAALO Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4ccccc4C)cc3)[nH+]c2c1 ZINC000015870691 569017497 /nfs/dbraw/zinc/01/74/97/569017497.db2.gz FDYNBHSKQLHWOA-UHFFFAOYSA-N 1 2 405.523 4.766 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 ZINC000016262979 569030305 /nfs/dbraw/zinc/03/03/05/569030305.db2.gz CRUYYQAENYJSKV-HXUWFJFHSA-N 1 2 409.848 4.992 50 0 HJAALO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000026475577 569032113 /nfs/dbraw/zinc/03/21/13/569032113.db2.gz VRQXLJQCENXGBT-LBPRGKRZSA-N 1 2 400.828 4.826 50 0 HJAALO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000026475577 569032114 /nfs/dbraw/zinc/03/21/14/569032114.db2.gz VRQXLJQCENXGBT-LBPRGKRZSA-N 1 2 400.828 4.826 50 0 HJAALO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591228 569060207 /nfs/dbraw/zinc/06/02/07/569060207.db2.gz UTSWMUVKQRJNRT-FUHWJXTLSA-N 1 2 406.448 4.867 50 0 HJAALO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591228 569060208 /nfs/dbraw/zinc/06/02/08/569060208.db2.gz UTSWMUVKQRJNRT-FUHWJXTLSA-N 1 2 406.448 4.867 50 0 HJAALO O=C(C[N@@H+](Cc1ccc(F)c(F)c1)C1CC1)N1CCS[C@H]1c1ccccc1Cl ZINC000035843656 569062430 /nfs/dbraw/zinc/06/24/30/569062430.db2.gz JEIUWERHESRAFA-NRFANRHFSA-N 1 2 422.928 4.857 50 0 HJAALO O=C(C[N@H+](Cc1ccc(F)c(F)c1)C1CC1)N1CCS[C@H]1c1ccccc1Cl ZINC000035843656 569062431 /nfs/dbraw/zinc/06/24/31/569062431.db2.gz JEIUWERHESRAFA-NRFANRHFSA-N 1 2 422.928 4.857 50 0 HJAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccccc2)cc1 ZINC000036072216 569086472 /nfs/dbraw/zinc/08/64/72/569086472.db2.gz JZSXXJDFQKGCRK-UHFFFAOYSA-N 1 2 415.493 4.708 50 0 HJAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccccc2)cc1 ZINC000036072216 569086474 /nfs/dbraw/zinc/08/64/74/569086474.db2.gz JZSXXJDFQKGCRK-UHFFFAOYSA-N 1 2 415.493 4.708 50 0 HJAALO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000036348533 569144664 /nfs/dbraw/zinc/14/46/64/569144664.db2.gz QFMBDKNTMWCELH-QHCPKHFHSA-N 1 2 422.525 4.518 50 0 HJAALO COc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000036348533 569144665 /nfs/dbraw/zinc/14/46/65/569144665.db2.gz QFMBDKNTMWCELH-QHCPKHFHSA-N 1 2 422.525 4.518 50 0 HJAALO O=c1nc(C[NH+]2CCCCCC2)[nH]c2scc(-c3ccc(Br)cc3)c21 ZINC000007002132 569198916 /nfs/dbraw/zinc/19/89/16/569198916.db2.gz NMXKANQBOIQGKS-UHFFFAOYSA-N 1 2 418.360 4.790 50 0 HJAALO COc1cccc(NC(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)c1 ZINC000065260138 569210990 /nfs/dbraw/zinc/21/09/90/569210990.db2.gz ZGXWQLMOYNLQDT-XMMPIXPASA-N 1 2 421.545 4.606 50 0 HJAALO COc1ccc(-c2noc([C@@H](c3cccc(Br)c3)[NH+]3CCCC3)n2)cc1 ZINC000170615943 569247773 /nfs/dbraw/zinc/24/77/73/569247773.db2.gz ASFHKCWHEFLWKA-GOSISDBHSA-N 1 2 414.303 4.693 50 0 HJAALO CC(C)(C)c1csc(NC(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)n1 ZINC000170620961 569248818 /nfs/dbraw/zinc/24/88/18/569248818.db2.gz WYPGXGOYBAVVAP-UHFFFAOYSA-N 1 2 410.543 4.550 50 0 HJAALO Cn1c(CCc2cccc(NC(=O)Nc3ccc4c(c3)OCO4)c2)[nH+]c2ccccc21 ZINC000013347814 569410876 /nfs/dbraw/zinc/41/08/76/569410876.db2.gz ARNZMFPERRCTSE-UHFFFAOYSA-N 1 2 414.465 4.731 50 0 HJAALO Cc1nnc([C@@H]2CCC[N@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)[nH]1 ZINC000079108997 569427891 /nfs/dbraw/zinc/42/78/91/569427891.db2.gz CYYIEVPEILVESJ-GOSISDBHSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1nnc([C@@H]2CCC[N@@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)[nH]1 ZINC000079108997 569427892 /nfs/dbraw/zinc/42/78/92/569427892.db2.gz CYYIEVPEILVESJ-GOSISDBHSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n1 ZINC000079108997 569427893 /nfs/dbraw/zinc/42/78/93/569427893.db2.gz CYYIEVPEILVESJ-GOSISDBHSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n1 ZINC000079108997 569427894 /nfs/dbraw/zinc/42/78/94/569427894.db2.gz CYYIEVPEILVESJ-GOSISDBHSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1nc([C@@H]2CCC[N@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n[nH]1 ZINC000079108997 569427895 /nfs/dbraw/zinc/42/78/95/569427895.db2.gz CYYIEVPEILVESJ-GOSISDBHSA-N 1 2 420.948 4.544 50 0 HJAALO Cc1nc([C@@H]2CCC[N@@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n[nH]1 ZINC000079108997 569427896 /nfs/dbraw/zinc/42/78/96/569427896.db2.gz CYYIEVPEILVESJ-GOSISDBHSA-N 1 2 420.948 4.544 50 0 HJAALO COc1ccc(-c2c(C)n[nH]c2-c2ccc(OCC[NH+]3CCCCC3)c(C)c2O)cc1 ZINC000009059912 571217231 /nfs/dbraw/zinc/21/72/31/571217231.db2.gz ZPFGUWYVXBEIJK-UHFFFAOYSA-N 1 2 421.541 4.939 50 0 HJAALO CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000069441981 571227940 /nfs/dbraw/zinc/22/79/40/571227940.db2.gz BEACBWWBPDHNSK-UHFFFAOYSA-N 1 2 410.477 4.809 50 0 HJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)[nH+]1 ZINC000009573342 571269224 /nfs/dbraw/zinc/26/92/24/571269224.db2.gz HJYKBRIKCZGQLS-SFHVURJKSA-N 1 2 417.513 4.535 50 0 HJAALO CC[C@H](C)NC(=O)CCC(=O)Nc1ccc2[nH+]c(N3C[C@@H](C)C[C@H](C)C3)cc(C)c2c1 ZINC000004881792 132291512 /nfs/dbraw/zinc/29/15/12/132291512.db2.gz YSXMEJABVQDFFB-LNLFQRSKSA-N 1 2 424.589 4.659 50 0 HJAALO CCCCNC(=O)CCC(=O)Nc1ccc2[nH+]c(N3C[C@H](C)C[C@@H](C)C3)cc(C)c2c1 ZINC000004881835 132291566 /nfs/dbraw/zinc/29/15/66/132291566.db2.gz NFKCGFVYAWBSOT-QZTJIDSGSA-N 1 2 424.589 4.661 50 0 HJAALO Clc1ccccc1Cn1ncc2c1nc[nH+]c2N1CCC(Cc2ccccc2)CC1 ZINC000009764258 132343527 /nfs/dbraw/zinc/34/35/27/132343527.db2.gz FUFIXEJINJSNNH-UHFFFAOYSA-N 1 2 417.944 4.987 50 0 HJAALO CC(C)Cc1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 ZINC000071889326 557294193 /nfs/dbraw/zinc/29/41/93/557294193.db2.gz MZNAVHJIRHPQNZ-QFIPXVFZSA-N 1 2 424.589 4.565 50 0 HJAALO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=[NH+]3)cc1 ZINC000002256568 557331913 /nfs/dbraw/zinc/33/19/13/557331913.db2.gz SCNMAJFBWPLJQU-ZEQRLZLVSA-N 1 2 410.452 4.938 50 0 HJAALO Fc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=[NH+]3)c1 ZINC000002542252 557355390 /nfs/dbraw/zinc/35/53/90/557355390.db2.gz LOMYIKGLNOYMGK-DHIUTWEWSA-N 1 2 414.415 4.769 50 0 HJAALO COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)NC3CCCCC3)cc1)=[NH+]CC2 ZINC000006453894 557703245 /nfs/dbraw/zinc/70/32/45/557703245.db2.gz VJGBGTJQJLURSL-UHFFFAOYSA-N 1 2 421.541 4.746 50 0 HJAALO Cc1ccc2c(c1)C1=C([C@@H](c3cccc(F)c3)O2)[C@H](c2cccs2)N2NC=NC2=[NH+]1 ZINC000002707291 557744358 /nfs/dbraw/zinc/74/43/58/557744358.db2.gz XHSCQTGZVIVAEB-FCHUYYIVSA-N 1 2 416.481 5.000 50 0 HJAALO O=c1nc(SCc2ccccc2)[nH]c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000019926526 558307792 /nfs/dbraw/zinc/30/77/92/558307792.db2.gz HVSOFKPFFGMYOR-UHFFFAOYSA-N 1 2 419.575 4.835 50 0 HJAALO O=c1nc(SCc2ccccc2)[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000019926526 558307798 /nfs/dbraw/zinc/30/77/98/558307798.db2.gz HVSOFKPFFGMYOR-UHFFFAOYSA-N 1 2 419.575 4.835 50 0 HJAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c(F)c1 ZINC000020202017 558345974 /nfs/dbraw/zinc/34/59/74/558345974.db2.gz ZBLPDQRKUZVVQY-XMMPIXPASA-N 1 2 404.489 4.550 50 0 HJAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c(F)c1 ZINC000020202017 558345976 /nfs/dbraw/zinc/34/59/76/558345976.db2.gz ZBLPDQRKUZVVQY-XMMPIXPASA-N 1 2 404.489 4.550 50 0 HJAALO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1nnc(SCCOc2ccccc2)n1C ZINC000012244643 558361152 /nfs/dbraw/zinc/36/11/52/558361152.db2.gz OEGMFHLMFSOYJM-KNTRCKAVSA-N 1 2 408.571 4.522 50 0 HJAALO C/C(=C\c1ccccc1)C[N@H+](C)Cc1nnc(SCCOc2ccccc2)n1C ZINC000012244643 558361156 /nfs/dbraw/zinc/36/11/56/558361156.db2.gz OEGMFHLMFSOYJM-KNTRCKAVSA-N 1 2 408.571 4.522 50 0 HJAALO Oc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cccc3nccnc23)c1 ZINC000020785377 558413584 /nfs/dbraw/zinc/41/35/84/558413584.db2.gz HVHZMWPNICPLRG-SANMLTNESA-N 1 2 406.489 4.964 50 0 HJAALO Oc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cccc3nccnc23)c1 ZINC000020785377 558413586 /nfs/dbraw/zinc/41/35/86/558413586.db2.gz HVHZMWPNICPLRG-SANMLTNESA-N 1 2 406.489 4.964 50 0 HJAALO Cc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000004341696 558425142 /nfs/dbraw/zinc/42/51/42/558425142.db2.gz XNRABWUQBRPSCR-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000012630070 558441332 /nfs/dbraw/zinc/44/13/32/558441332.db2.gz DYCWVYDKXSBKDV-HXUWFJFHSA-N 1 2 422.941 4.645 50 0 HJAALO O=C(Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000013146068 558522916 /nfs/dbraw/zinc/52/29/16/558522916.db2.gz SMUPRALNFNPVJC-UHFFFAOYSA-N 1 2 410.193 4.906 50 0 HJAALO O=S(=O)(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000023039903 558531257 /nfs/dbraw/zinc/53/12/57/558531257.db2.gz SQDJMLSBKIWBSL-OAQYLSRUSA-N 1 2 417.983 4.823 50 0 HJAALO O=S(=O)(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000023039903 558531259 /nfs/dbraw/zinc/53/12/59/558531259.db2.gz SQDJMLSBKIWBSL-OAQYLSRUSA-N 1 2 417.983 4.823 50 0 HJAALO O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736687 558572309 /nfs/dbraw/zinc/57/23/09/558572309.db2.gz IHGOOKZTBYMAGS-UHFFFAOYSA-N 1 2 403.507 4.514 50 0 HJAALO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)sc2nc(C)cc(C)c12 ZINC000023778191 558575747 /nfs/dbraw/zinc/57/57/47/558575747.db2.gz ZVDMIEFHPQPNOW-GOSISDBHSA-N 1 2 408.502 4.614 50 0 HJAALO Cc1ccc(-c2nnc(CCC(=O)Nc3ccc4[nH]c(C(C)(C)C)[nH+]c4c3)o2)cc1 ZINC000024837123 558616193 /nfs/dbraw/zinc/61/61/93/558616193.db2.gz QQHBPZSUKMZMJM-UHFFFAOYSA-N 1 2 403.486 4.790 50 0 HJAALO C[C@H]1CC2(CCCC2)N2C(=O)[C@@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cc(F)cc1c32 ZINC000014162432 558626426 /nfs/dbraw/zinc/62/64/26/558626426.db2.gz NIYJZVRPYNEMJD-QWXGXRTQSA-N 1 2 415.512 4.863 50 0 biogenic HJAALO CCOC(=O)[C@H]1CCC[N@H+](Cn2c3ccccc3n(-c3ccc(C)cc3)c2=S)C1 ZINC000025460183 558641543 /nfs/dbraw/zinc/64/15/43/558641543.db2.gz OTXPMFYYIRSBBR-SFHVURJKSA-N 1 2 409.555 4.703 50 0 HJAALO CCOC(=O)[C@H]1CCC[N@@H+](Cn2c3ccccc3n(-c3ccc(C)cc3)c2=S)C1 ZINC000025460183 558641547 /nfs/dbraw/zinc/64/15/47/558641547.db2.gz OTXPMFYYIRSBBR-SFHVURJKSA-N 1 2 409.555 4.703 50 0 HJAALO COC(=O)c1ccccc1Nc1c(-c2ccc(O)c(OC)c2)[nH+]c2ccc(Cl)cn21 ZINC000015414393 558738954 /nfs/dbraw/zinc/73/89/54/558738954.db2.gz ZZKOFECUUXMBEP-UHFFFAOYSA-N 1 2 423.856 4.899 50 0 HJAALO O=C(NCc1ccccc1)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000034828332 558784386 /nfs/dbraw/zinc/78/43/86/558784386.db2.gz VAPSOYHLBPQIMP-UHFFFAOYSA-N 1 2 407.517 4.723 50 0 HJAALO O=C(NCc1ccccc1)c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000034828332 558784390 /nfs/dbraw/zinc/78/43/90/558784390.db2.gz VAPSOYHLBPQIMP-UHFFFAOYSA-N 1 2 407.517 4.723 50 0 HJAALO COc1cc(-c2[nH+]c3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000035615872 558794477 /nfs/dbraw/zinc/79/44/77/558794477.db2.gz NGCAWDSHRYIBAS-UHFFFAOYSA-N 1 2 419.437 4.505 50 0 HJAALO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)[nH+]3)cc2)c1C ZINC000036705819 558801175 /nfs/dbraw/zinc/80/11/75/558801175.db2.gz MPDUODLZFULONF-UHFFFAOYSA-N 1 2 413.485 4.975 50 0 HJAALO Clc1ccc(Oc2cc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)ncn2)cc1 ZINC000037356362 558804248 /nfs/dbraw/zinc/80/42/48/558804248.db2.gz IEZOLJQZSYPZMJ-UHFFFAOYSA-N 1 2 415.324 4.898 50 0 HJAALO Cc1ccccc1CSc1nnc(C[N@@H+](C)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC000055131325 558873489 /nfs/dbraw/zinc/87/34/89/558873489.db2.gz SFCMBNIDCSQWGY-JOCHJYFZSA-N 1 2 422.598 4.690 50 0 HJAALO Cc1ccccc1CSc1nnc(C[N@H+](C)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC000055131325 558873493 /nfs/dbraw/zinc/87/34/93/558873493.db2.gz SFCMBNIDCSQWGY-JOCHJYFZSA-N 1 2 422.598 4.690 50 0 HJAALO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000058169942 558907894 /nfs/dbraw/zinc/90/78/94/558907894.db2.gz KSZSJULFRQFJHY-XMMPIXPASA-N 1 2 404.558 4.531 50 0 HJAALO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000058169942 558907897 /nfs/dbraw/zinc/90/78/97/558907897.db2.gz KSZSJULFRQFJHY-XMMPIXPASA-N 1 2 404.558 4.531 50 0 HJAALO c1ccc(Oc2cccc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000019536131 558913726 /nfs/dbraw/zinc/91/37/26/558913726.db2.gz MCDQFZLGDYZASV-UHFFFAOYSA-N 1 2 402.494 4.525 50 0 HJAALO CCCOc1ccc(C(=O)CC[NH2+]c2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000019626875 558947330 /nfs/dbraw/zinc/94/73/30/558947330.db2.gz AANGPOJJJPNVRB-UHFFFAOYSA-N 1 2 402.922 4.650 50 0 HJAALO O=C(Cc1ccc(F)cc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023319985 559125840 /nfs/dbraw/zinc/12/58/40/559125840.db2.gz ZISROHJEUGYEBR-RUZDIDTESA-N 1 2 422.931 4.955 50 0 HJAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024028942 559188032 /nfs/dbraw/zinc/18/80/32/559188032.db2.gz FTIGHUMQTBLOEU-UHFFFAOYSA-N 1 2 404.495 4.551 50 0 HJAALO Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1NC=NC1=[NH+]2 ZINC000005055147 559237535 /nfs/dbraw/zinc/23/75/35/559237535.db2.gz VTYVIMHYEBTTCM-RTWAWAEBSA-N 1 2 402.454 4.691 50 0 HJAALO Cc1noc([C@@H](C)[N@H+](C)Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000072477549 559257271 /nfs/dbraw/zinc/25/72/71/559257271.db2.gz RKAFNMUPAHYPLA-CYBMUJFWSA-N 1 2 420.444 4.654 50 0 HJAALO Cc1noc([C@@H](C)[N@@H+](C)Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000072477549 559257272 /nfs/dbraw/zinc/25/72/72/559257272.db2.gz RKAFNMUPAHYPLA-CYBMUJFWSA-N 1 2 420.444 4.654 50 0 HJAALO C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047678 560773956 /nfs/dbraw/zinc/77/39/56/560773956.db2.gz FBYDNQJVBLRZDV-OAHLLOKOSA-N 1 2 401.491 4.984 50 0 HJAALO Cc1ccc2cc(C(=O)NCc3ccc(N4CCc5ccccc5C4)[nH+]c3)c(C)nc2c1 ZINC000048300373 568437426 /nfs/dbraw/zinc/43/74/26/568437426.db2.gz QHJKRHYOJCCAGO-UHFFFAOYSA-N 1 2 422.532 4.739 50 0 HJAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccc(C)cc4Cl)CC3)no2)c1 ZINC000033327683 568514073 /nfs/dbraw/zinc/51/40/73/568514073.db2.gz PEWAXFGUUZOPDU-UHFFFAOYSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(C2=NN(C(=O)C[N@H+](Cc3cccnc3)C(C)C)[C@H](c3ccco3)C2)cc1 ZINC000095446673 568611999 /nfs/dbraw/zinc/61/19/99/568611999.db2.gz OAKMMABSBYWIBY-QHCPKHFHSA-N 1 2 416.525 4.571 50 0 HJAALO Cc1ccc(C2=NN(C(=O)C[N@@H+](Cc3cccnc3)C(C)C)[C@H](c3ccco3)C2)cc1 ZINC000095446673 568612002 /nfs/dbraw/zinc/61/20/02/568612002.db2.gz OAKMMABSBYWIBY-QHCPKHFHSA-N 1 2 416.525 4.571 50 0 HJAALO Clc1ccc(NCc2cccc(OCc3ccccn3)c2)cc1C[NH+]1CCOCC1 ZINC000225480773 568641537 /nfs/dbraw/zinc/64/15/37/568641537.db2.gz IEQHXPDFECOULZ-UHFFFAOYSA-N 1 2 423.944 4.758 50 0 HJAALO COc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1NC(=O)OC(C)(C)C ZINC000225509725 568644868 /nfs/dbraw/zinc/64/48/68/568644868.db2.gz ZOVIIUIFAYHPPW-UHFFFAOYSA-N 1 2 422.485 4.539 50 0 HJAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c(C)c1 ZINC000021032893 568659588 /nfs/dbraw/zinc/65/95/88/568659588.db2.gz AIFRGQBSDOYTMT-UHFFFAOYSA-N 1 2 413.543 4.914 50 0 HJAALO O=C(Cn1cc[nH+]c1-c1ccnc(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000095990720 568677840 /nfs/dbraw/zinc/67/78/40/568677840.db2.gz DVZLAISXJXVTTJ-UHFFFAOYSA-N 1 2 418.884 4.816 50 0 HJAALO CC(C)c1sc(Cl)nc1C(=O)NCCCCCc1[nH+]c2ccccc2n1C ZINC000096232713 568708268 /nfs/dbraw/zinc/70/82/68/568708268.db2.gz RVUWBWYVCYWPHB-UHFFFAOYSA-N 1 2 404.967 4.949 50 0 HJAALO CC[C@H](C)c1nc(N2CCN(C(=O)C3CC3)CC2)c(Cc2cc(C)ccc2C)c(C)[nH+]1 ZINC000096316965 568725882 /nfs/dbraw/zinc/72/58/82/568725882.db2.gz BHAZRMGHURUASF-SFHVURJKSA-N 1 2 420.601 4.565 50 0 HJAALO CC[C@@H](C)c1nc(N2CCN(C(=O)C3CCC3)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317298 568726489 /nfs/dbraw/zinc/72/64/89/568726489.db2.gz XWHAOEKPMXSEFV-LJQANCHMSA-N 1 2 420.601 4.646 50 0 HJAALO CC[C@@H](C)c1nc(N2CCN(C(=O)C(C)C)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317290 568726522 /nfs/dbraw/zinc/72/65/22/568726522.db2.gz HSBFMUBQMLSEBO-LJQANCHMSA-N 1 2 408.590 4.502 50 0 HJAALO CCCc1[nH]c2ccc(CCC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2[nH+]1 ZINC000096332857 568736370 /nfs/dbraw/zinc/73/63/70/568736370.db2.gz QLBJQQKNUQIXAQ-UHFFFAOYSA-N 1 2 401.894 4.757 50 0 HJAALO CCCc1[nH]c2cc(CCC(=O)Nc3cc(Cl)c(OC)cc3OC)ccc2[nH+]1 ZINC000096332857 568736373 /nfs/dbraw/zinc/73/63/73/568736373.db2.gz QLBJQQKNUQIXAQ-UHFFFAOYSA-N 1 2 401.894 4.757 50 0 HJAALO CCCc1[nH]c2ccc(CCC(=O)Nc3ccc(Br)cc3F)cc2[nH+]1 ZINC000096332860 568736418 /nfs/dbraw/zinc/73/64/18/568736418.db2.gz FNYVLYBEVVVDCP-UHFFFAOYSA-N 1 2 404.283 4.988 50 0 HJAALO CCCc1[nH]c2cc(CCC(=O)Nc3ccc(Br)cc3F)ccc2[nH+]1 ZINC000096332860 568736420 /nfs/dbraw/zinc/73/64/20/568736420.db2.gz FNYVLYBEVVVDCP-UHFFFAOYSA-N 1 2 404.283 4.988 50 0 HJAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)no2)cc1 ZINC000021724236 568750994 /nfs/dbraw/zinc/75/09/94/568750994.db2.gz SQQILTJNNVDVRI-UHFFFAOYSA-N 1 2 410.905 4.549 50 0 HJAALO CCc1nc2c3ccccc3oc2c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000057412122 568832984 /nfs/dbraw/zinc/83/29/84/568832984.db2.gz QKBHOYYFPZWFDM-UHFFFAOYSA-N 1 2 406.917 4.914 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000012548213 568851268 /nfs/dbraw/zinc/85/12/68/568851268.db2.gz IQDHDDYIMKAGIV-JOCHJYFZSA-N 1 2 406.917 4.783 50 0 HJAALO C[C@H]1CCc2c(sc3ncnc(N[C@H](c4[nH+]ccn4C)c4ccccc4F)c32)C1 ZINC000012550388 568852898 /nfs/dbraw/zinc/85/28/98/568852898.db2.gz GDRMSFOPLQXULJ-DJJJIMSYSA-N 1 2 407.518 4.890 50 0 HJAALO C[C@H]1CCc2c(sc3ncnc(N[C@@H](c4[nH+]ccn4C)c4ccccc4F)c32)C1 ZINC000012550392 568852917 /nfs/dbraw/zinc/85/29/17/568852917.db2.gz GDRMSFOPLQXULJ-ORAYPTAESA-N 1 2 407.518 4.890 50 0 HJAALO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](CCO)Cc2ccccc2)cc1Cl ZINC000003354087 568856653 /nfs/dbraw/zinc/85/66/53/568856653.db2.gz DDFYAVYBHVYDFS-QHCPKHFHSA-N 1 2 424.928 4.523 50 0 HJAALO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](CCO)Cc2ccccc2)cc1Cl ZINC000003354087 568856656 /nfs/dbraw/zinc/85/66/56/568856656.db2.gz DDFYAVYBHVYDFS-QHCPKHFHSA-N 1 2 424.928 4.523 50 0 HJAALO C[C@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000012595044 568868739 /nfs/dbraw/zinc/86/87/39/568868739.db2.gz LENLCJFTNRICTE-OAHLLOKOSA-N 1 2 423.517 4.976 50 0 HJAALO COc1ccc(CCSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000003553519 568915185 /nfs/dbraw/zinc/91/51/85/568915185.db2.gz HNOZAOLOBGUKSF-HNNXBMFYSA-N 1 2 416.978 4.887 50 0 HJAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)C1 ZINC000012780694 568957713 /nfs/dbraw/zinc/95/77/13/568957713.db2.gz UHKPWWJHVFVFBG-LBPRGKRZSA-N 1 2 414.358 4.699 50 0 HJAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)C1 ZINC000012780694 568957716 /nfs/dbraw/zinc/95/77/16/568957716.db2.gz UHKPWWJHVFVFBG-LBPRGKRZSA-N 1 2 414.358 4.699 50 0 HJAALO Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CCC[N@@H+](C)C1 ZINC000085393393 568984890 /nfs/dbraw/zinc/98/48/90/568984890.db2.gz RSMMQTFEZWPJPG-UHFFFAOYSA-N 1 2 410.583 4.862 50 0 HJAALO Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CCC[N@H+](C)C1 ZINC000085393393 568984892 /nfs/dbraw/zinc/98/48/92/568984892.db2.gz RSMMQTFEZWPJPG-UHFFFAOYSA-N 1 2 410.583 4.862 50 0 HJAALO O=C(Nc1sc2c(c1[C@H](c1ccccc1)[NH+]1CCOCC1)CCCC2)c1ccco1 ZINC000038546175 568999962 /nfs/dbraw/zinc/99/99/62/568999962.db2.gz FNTHOORXYVBWJB-QFIPXVFZSA-N 1 2 422.550 4.894 50 0 HJAALO CCc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)cc1 ZINC000015862808 569016042 /nfs/dbraw/zinc/01/60/42/569016042.db2.gz JLHGJVHYOAYCKD-UHFFFAOYSA-N 1 2 414.553 4.779 50 0 HJAALO CCc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)cc1 ZINC000015862808 569016043 /nfs/dbraw/zinc/01/60/43/569016043.db2.gz JLHGJVHYOAYCKD-UHFFFAOYSA-N 1 2 414.553 4.779 50 0 HJAALO Cc1ccc(S(=O)(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)c(C)c1 ZINC000015870540 569017342 /nfs/dbraw/zinc/01/73/42/569017342.db2.gz VHRLIEIJZVTCBZ-UHFFFAOYSA-N 1 2 419.550 4.776 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000015870586 569017351 /nfs/dbraw/zinc/01/73/51/569017351.db2.gz LCVHXZWCWGURCG-UHFFFAOYSA-N 1 2 419.550 4.783 50 0 HJAALO CCc1ccc([C@H]([NH2+][C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012909375 569021764 /nfs/dbraw/zinc/02/17/64/569021764.db2.gz WKFQPRPZMMNQED-BJKOFHAPSA-N 1 2 420.578 4.590 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)Nc1ccccc1C)CC2 ZINC000012911947 569021839 /nfs/dbraw/zinc/02/18/39/569021839.db2.gz WDZKBAXAQKOVKO-AREMUKBSSA-N 1 2 416.521 4.598 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccccc1C)CC2 ZINC000012911947 569021840 /nfs/dbraw/zinc/02/18/40/569021840.db2.gz WDZKBAXAQKOVKO-AREMUKBSSA-N 1 2 416.521 4.598 50 0 HJAALO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012927481 569023987 /nfs/dbraw/zinc/02/39/87/569023987.db2.gz TWWHVWOYISVGDY-ZDUSSCGKSA-N 1 2 403.935 4.726 50 0 HJAALO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012927481 569023988 /nfs/dbraw/zinc/02/39/88/569023988.db2.gz TWWHVWOYISVGDY-ZDUSSCGKSA-N 1 2 403.935 4.726 50 0 HJAALO Cc1ccc(Cl)c(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1Cl ZINC000012932280 569024876 /nfs/dbraw/zinc/02/48/76/569024876.db2.gz ABHFCXVYSFIATB-HNNXBMFYSA-N 1 2 420.340 4.591 50 0 HJAALO Cc1ccc(Cl)c(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1Cl ZINC000012932280 569024877 /nfs/dbraw/zinc/02/48/77/569024877.db2.gz ABHFCXVYSFIATB-HNNXBMFYSA-N 1 2 420.340 4.591 50 0 HJAALO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c(Cl)c1 ZINC000035404193 569035721 /nfs/dbraw/zinc/03/57/21/569035721.db2.gz JXXFYUSQYGCNBO-UHFFFAOYSA-N 1 2 406.917 4.562 50 0 HJAALO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c(Cl)c1 ZINC000035404193 569035722 /nfs/dbraw/zinc/03/57/22/569035722.db2.gz JXXFYUSQYGCNBO-UHFFFAOYSA-N 1 2 406.917 4.562 50 0 HJAALO Cc1[nH+]c(-c2ccccc2)nc(N2CCN(C(=O)c3ccccc3F)CC2)c1C(C)C ZINC000035769147 569057963 /nfs/dbraw/zinc/05/79/63/569057963.db2.gz LHYMCNSTHJADLL-UHFFFAOYSA-N 1 2 418.516 4.677 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000016690102 569070632 /nfs/dbraw/zinc/07/06/32/569070632.db2.gz JXOOTDTXDUCOPV-AHIWAGSCSA-N 1 2 404.967 4.780 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000016690102 569070633 /nfs/dbraw/zinc/07/06/33/569070633.db2.gz JXOOTDTXDUCOPV-AHIWAGSCSA-N 1 2 404.967 4.780 50 0 HJAALO CC(C)Cn1c(Cn2cc[nH+]c2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000006665554 569086125 /nfs/dbraw/zinc/08/61/25/569086125.db2.gz LBMRHKPSDMXRLH-UHFFFAOYSA-N 1 2 407.905 4.843 50 0 HJAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NC3CC3)co2)[C@@H](C)c2ccccc2)c(C)c1 ZINC000036073576 569086877 /nfs/dbraw/zinc/08/68/77/569086877.db2.gz TWGSMLYEMUOSLF-IBGZPJMESA-N 1 2 403.526 4.947 50 0 HJAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)NC3CC3)co2)[C@@H](C)c2ccccc2)c(C)c1 ZINC000036073576 569086878 /nfs/dbraw/zinc/08/68/78/569086878.db2.gz TWGSMLYEMUOSLF-IBGZPJMESA-N 1 2 403.526 4.947 50 0 HJAALO CC(C)c1ccc(C[N@H+](Cc2nc(C(=O)NC3CC3)co2)Cc2ccccc2)cc1 ZINC000036073701 569086914 /nfs/dbraw/zinc/08/69/14/569086914.db2.gz NZTLZNQOBJWCDN-UHFFFAOYSA-N 1 2 403.526 4.893 50 0 HJAALO CC(C)c1ccc(C[N@@H+](Cc2nc(C(=O)NC3CC3)co2)Cc2ccccc2)cc1 ZINC000036073701 569086915 /nfs/dbraw/zinc/08/69/15/569086915.db2.gz NZTLZNQOBJWCDN-UHFFFAOYSA-N 1 2 403.526 4.893 50 0 HJAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2)cc1 ZINC000007360321 569235050 /nfs/dbraw/zinc/23/50/50/569235050.db2.gz WUUQCVMETBGYRC-HXUWFJFHSA-N 1 2 406.555 4.672 50 0 HJAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2)cc1 ZINC000007360321 569235051 /nfs/dbraw/zinc/23/50/51/569235051.db2.gz WUUQCVMETBGYRC-HXUWFJFHSA-N 1 2 406.555 4.672 50 0 HJAALO Cc1ccc(C)c2sc(N(CCCn3cc[nH+]c3)C(=O)c3ccc(F)cc3)nc21 ZINC000007424762 569238186 /nfs/dbraw/zinc/23/81/86/569238186.db2.gz PWRUBOODYGZGJZ-UHFFFAOYSA-N 1 2 408.502 4.986 50 0 HJAALO COc1ccc(-c2noc([C@H](c3cccc(Br)c3)[NH+]3CCCC3)n2)cc1 ZINC000170615944 569247751 /nfs/dbraw/zinc/24/77/51/569247751.db2.gz ASFHKCWHEFLWKA-SFHVURJKSA-N 1 2 414.303 4.693 50 0 HJAALO Clc1cccc(N2CC[NH+](Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)c1 ZINC000013330658 569255149 /nfs/dbraw/zinc/25/51/49/569255149.db2.gz KKWJQNXAPRTZAD-UHFFFAOYSA-N 1 2 413.930 4.514 50 0 HJAALO Cc1cc2[nH+]c(Cc3ccc(F)cc3)n([C@@H](C)C(=O)NCc3ccccn3)c2cc1C ZINC000037396899 569296330 /nfs/dbraw/zinc/29/63/30/569296330.db2.gz PTIUPVYWTVJQLN-SFHVURJKSA-N 1 2 416.500 4.655 50 0 HJAALO CC[C@H](C(=O)NCCOC)n1c(Cc2ccccc2Cl)[nH+]c2cc(C)c(C)cc21 ZINC000037398801 569297274 /nfs/dbraw/zinc/29/72/74/569297274.db2.gz QPSBUDUSNGJASS-HXUWFJFHSA-N 1 2 413.949 4.611 50 0 HJAALO CCCCc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000002446079 569401348 /nfs/dbraw/zinc/40/13/48/569401348.db2.gz IFKIVBOJWZWZKR-UHFFFAOYSA-N 1 2 417.538 4.889 50 0 HJAALO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)CCC(=O)c2ccccc2)CC1 ZINC000038671706 571060666 /nfs/dbraw/zinc/06/06/66/571060666.db2.gz XOOOBBHZGYCQHG-UHFFFAOYSA-N 1 2 403.526 4.626 50 0 HJAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1ccc(Cl)cc1)N1CCOCC1 ZINC000067288376 571066299 /nfs/dbraw/zinc/06/62/99/571066299.db2.gz FOLFXYLREUOGFB-UHFFFAOYSA-N 1 2 416.308 4.626 50 0 HJAALO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000008728637 571108857 /nfs/dbraw/zinc/10/88/57/571108857.db2.gz GDGQJRWNDOVTRK-UHFFFAOYSA-N 1 2 410.949 4.796 50 0 HJAALO C[C@H]1Sc2ccc(C(=O)Nc3ccc(-c4cn5c([nH+]4)CCCC5)cc3)cc2NC1=O ZINC000040156293 571203447 /nfs/dbraw/zinc/20/34/47/571203447.db2.gz HIOJZDWSJFRWPH-CQSZACIVSA-N 1 2 418.522 4.571 50 0 HJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)CCc3ccccc3)cc2)n1 ZINC000009573423 571269185 /nfs/dbraw/zinc/26/91/85/571269185.db2.gz LYSYQKRZXXGHPN-UHFFFAOYSA-N 1 2 403.530 4.946 50 0 HJAALO Cc1ccc2[nH+]c(CSc3nnc(N4CCCC4)n3-c3cccc(Cl)c3)cn2c1 ZINC000009731356 571282901 /nfs/dbraw/zinc/28/29/01/571282901.db2.gz PFGLHOYINYAIIF-UHFFFAOYSA-N 1 2 424.961 4.769 50 0 HJAALO Cc1cc2nc(N(CCCn3cc[nH+]c3)C(=O)Cc3ccccc3)sc2c(C)c1 ZINC000010381595 571301581 /nfs/dbraw/zinc/30/15/81/571301581.db2.gz RMHNNGVXILZLNS-UHFFFAOYSA-N 1 2 404.539 4.776 50 0 HJAALO Clc1ccc(Nc2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)cc1Cl ZINC000004941989 132296576 /nfs/dbraw/zinc/29/65/76/132296576.db2.gz URYHZWNVQBPBQC-UHFFFAOYSA-N 1 2 407.349 4.903 50 0 HJAALO c1ccc2[nH+]c(C3CCN(c4nncc(-c5ccc6ccccc6c5)n4)CC3)[nH]c2c1 ZINC000012433296 132359899 /nfs/dbraw/zinc/35/98/99/132359899.db2.gz CCLZXTRJCJEGIA-UHFFFAOYSA-N 1 2 406.493 4.952 50 0 HJAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(N2CCOCC2)cc1 ZINC000000949071 521575006 /nfs/dbraw/zinc/57/50/06/521575006.db2.gz WRFYIGQWUGXGJE-UHFFFAOYSA-N 1 2 405.498 4.609 50 0 HJAALO COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)c1[nH+]ccn1C ZINC000032802520 524795114 /nfs/dbraw/zinc/79/51/14/524795114.db2.gz CTZCARFWINPMPN-JTSKRJEESA-N 1 2 406.530 4.702 50 0 HJAALO C[C@@H]1C[NH+](CCOc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)C[C@@H](C)O1 ZINC000020591290 524957790 /nfs/dbraw/zinc/95/77/90/524957790.db2.gz MOMCYAXYJWYDSO-HZPDHXFCSA-N 1 2 413.901 4.601 50 0 HJAALO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000044380316 525941871 /nfs/dbraw/zinc/94/18/71/525941871.db2.gz TYVAIYWTBPGZBY-HRAATJIYSA-N 1 2 409.505 4.530 50 0 HJAALO CCCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000006756174 534960872 /nfs/dbraw/zinc/96/08/72/534960872.db2.gz CBULSQTVZAGCQT-UHFFFAOYSA-N 1 2 414.981 4.567 50 0 HJAALO C[NH+]1CCN(n2c(-c3ccc(Cl)cc3Cl)cs/c2=N\c2ccccc2)CC1 ZINC000004477262 557557634 /nfs/dbraw/zinc/55/76/34/557557634.db2.gz MJGDRVQMAZLKRQ-ATJXCDBQSA-N 1 2 419.381 4.639 50 0 HJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(O)cc2)cc1 ZINC000004735677 557589134 /nfs/dbraw/zinc/58/91/34/557589134.db2.gz TZIJLPMXDALJIU-QHCPKHFHSA-N 1 2 410.477 4.978 50 0 HJAALO CC(=O)c1cccc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020310997 558355053 /nfs/dbraw/zinc/35/50/53/558355053.db2.gz QKEZHKFXFGJGHO-UHFFFAOYSA-N 1 2 413.521 4.828 50 0 HJAALO CCCCCCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2)c1=[NH2+] ZINC000020327631 558355968 /nfs/dbraw/zinc/35/59/68/558355968.db2.gz AJBOCJASLDCFMT-GOSISDBHSA-N 1 2 401.938 4.596 50 0 HJAALO O=C(C1c2ccccc2Oc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020508662 558381801 /nfs/dbraw/zinc/38/18/01/558381801.db2.gz VUFIPFVYYTYBLM-DHZHZOJOSA-N 1 2 410.517 4.782 50 0 HJAALO O=C(c1ccccc1O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020509401 558382080 /nfs/dbraw/zinc/38/20/80/558382080.db2.gz OGAVANMOCWPBFA-HSZRJFAPSA-N 1 2 406.913 4.593 50 0 HJAALO O=C(CCCc1nc2ccccc2s1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289560 558476476 /nfs/dbraw/zinc/47/64/76/558476476.db2.gz YATTZZQABKUAOG-UHFFFAOYSA-N 1 2 400.573 4.700 50 0 HJAALO Clc1ccccc1OCc1nnc(SCc2cn3ccccc3[nH+]2)n1C1CC1 ZINC000004408182 558501984 /nfs/dbraw/zinc/50/19/84/558501984.db2.gz ASMKBELRGVSJMR-UHFFFAOYSA-N 1 2 411.918 4.785 50 0 HJAALO c1csc([C@H](CNc2ncnc3scc(-c4ccccc4)c32)[NH+]2CCOCC2)c1 ZINC000024574708 558601531 /nfs/dbraw/zinc/60/15/31/558601531.db2.gz QQQWNFPHUFTFMY-SFHVURJKSA-N 1 2 422.579 4.905 50 0 HJAALO Cc1ccc(N2CC[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@@H]2C)cc1 ZINC000014216426 558638099 /nfs/dbraw/zinc/63/80/99/558638099.db2.gz HJEZVWPMELFVSJ-KRWDZBQOSA-N 1 2 407.539 4.558 50 0 HJAALO Cc1ccc(N2CC[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@@H]2C)cc1 ZINC000014216426 558638102 /nfs/dbraw/zinc/63/81/02/558638102.db2.gz HJEZVWPMELFVSJ-KRWDZBQOSA-N 1 2 407.539 4.558 50 0 HJAALO C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329154 558638237 /nfs/dbraw/zinc/63/82/37/558638237.db2.gz WJMIMXYRGJRXJX-KUHUBIRLSA-N 1 2 408.329 4.577 50 0 HJAALO CC(C)c1csc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1 ZINC000014975793 558689038 /nfs/dbraw/zinc/68/90/38/558689038.db2.gz JUDHEDUVIWYCDT-UHFFFAOYSA-N 1 2 413.587 4.546 50 0 HJAALO Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1NC(=O)c1ccccc1 ZINC000029045341 558708804 /nfs/dbraw/zinc/70/88/04/558708804.db2.gz QFTOOCHEQJHDLN-LJQANCHMSA-N 1 2 424.504 4.924 50 0 HJAALO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000029719936 558719260 /nfs/dbraw/zinc/71/92/60/558719260.db2.gz JIEPXGZBNAFFDN-IBGZPJMESA-N 1 2 420.296 4.522 50 0 HJAALO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000029719936 558719261 /nfs/dbraw/zinc/71/92/61/558719261.db2.gz JIEPXGZBNAFFDN-IBGZPJMESA-N 1 2 420.296 4.522 50 0 HJAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)[nH+]1 ZINC000036705854 558801241 /nfs/dbraw/zinc/80/12/41/558801241.db2.gz STZLPIYRPOCYBW-UHFFFAOYSA-N 1 2 421.411 4.637 50 0 HJAALO CC[C@H](C)NC(=O)CCC(=O)Nc1ccc2[nH+]c(N3C[C@H](C)C[C@@H](C)C3)cc(C)c2c1 ZINC000013573786 558844788 /nfs/dbraw/zinc/84/47/88/558844788.db2.gz YSXMEJABVQDFFB-LMMKCTJWSA-N 1 2 424.589 4.659 50 0 HJAALO COc1ccccc1C(=O)Nc1ccc(Nc2nc(N3CCCCC3)cc(C)[nH+]2)cc1 ZINC000033078144 558867537 /nfs/dbraw/zinc/86/75/37/558867537.db2.gz ZQGXOKKABINTJE-UHFFFAOYSA-N 1 2 417.513 4.780 50 0 HJAALO Cc1ccccc1CSc1nnc(C[N@@H+](C)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC000055131322 558873510 /nfs/dbraw/zinc/87/35/10/558873510.db2.gz SFCMBNIDCSQWGY-QFIPXVFZSA-N 1 2 422.598 4.690 50 0 HJAALO Cc1ccccc1CSc1nnc(C[N@H+](C)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC000055131322 558873512 /nfs/dbraw/zinc/87/35/12/558873512.db2.gz SFCMBNIDCSQWGY-QFIPXVFZSA-N 1 2 422.598 4.690 50 0 HJAALO FC(F)(F)c1ccccc1C[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000019361479 558876396 /nfs/dbraw/zinc/87/63/96/558876396.db2.gz BLFGFXFNFCQYCQ-UHFFFAOYSA-N 1 2 413.281 4.786 50 0 HJAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc2ccccc21 ZINC000057291752 558887979 /nfs/dbraw/zinc/88/79/79/558887979.db2.gz XDLZGRKYTGZPBZ-UHFFFAOYSA-N 1 2 413.443 4.619 50 0 HJAALO Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000058141613 558901435 /nfs/dbraw/zinc/90/14/35/558901435.db2.gz XVGOZYGLOSYILW-UHFFFAOYSA-N 1 2 408.933 4.758 50 0 HJAALO O=c1[nH]c(SCc2ccccc2Cl)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000033287251 559043856 /nfs/dbraw/zinc/04/38/56/559043856.db2.gz JEZNZKDQYGTHJL-UHFFFAOYSA-N 1 2 415.921 4.825 50 0 HJAALO O=c1[nH]c(SCc2ccccc2Cl)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000033287251 559043857 /nfs/dbraw/zinc/04/38/57/559043857.db2.gz JEZNZKDQYGTHJL-UHFFFAOYSA-N 1 2 415.921 4.825 50 0 HJAALO COc1ccc(C[N@@H+]2CCc3nc(SCc4cc(C)ccc4C)[nH]c(=O)c3C2)cc1 ZINC000033287256 559043908 /nfs/dbraw/zinc/04/39/08/559043908.db2.gz VPHRNVKSFCIUHR-UHFFFAOYSA-N 1 2 421.566 4.658 50 0 HJAALO COc1ccc(C[N@H+]2CCc3nc(SCc4cc(C)ccc4C)[nH]c(=O)c3C2)cc1 ZINC000033287256 559043909 /nfs/dbraw/zinc/04/39/09/559043909.db2.gz VPHRNVKSFCIUHR-UHFFFAOYSA-N 1 2 421.566 4.658 50 0 HJAALO CC[NH+](CC)c1ccc(C[C@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@@H]23)cc1 ZINC000011582399 559112408 /nfs/dbraw/zinc/11/24/08/559112408.db2.gz MHYKHABQBMXVEA-AZGAKELHSA-N 1 2 411.549 4.949 50 0 HJAALO COc1cccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023325248 559150685 /nfs/dbraw/zinc/15/06/85/559150685.db2.gz DJUFCQRDXNQQRT-DEOSSOPVSA-N 1 2 420.940 4.896 50 0 HJAALO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000011685539 559177155 /nfs/dbraw/zinc/17/71/55/559177155.db2.gz SASURYOTGZCARP-CQSZACIVSA-N 1 2 421.551 4.634 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000005533467 560606183 /nfs/dbraw/zinc/60/61/83/560606183.db2.gz CIYMOTOLUZXJNH-UHFFFAOYSA-N 1 2 417.538 4.978 50 0 HJAALO CCc1ccc(S(=O)(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)cc1 ZINC000021357116 568688196 /nfs/dbraw/zinc/68/81/96/568688196.db2.gz UMIPRTYSJWGBFO-UHFFFAOYSA-N 1 2 419.550 4.722 50 0 HJAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)NCc2ccc(F)cc2)cc1 ZINC000021357741 568688573 /nfs/dbraw/zinc/68/85/73/568688573.db2.gz JOGWHPMUQDQXRE-UHFFFAOYSA-N 1 2 402.473 4.819 50 0 HJAALO CC[C@H](C)c1nc(N2CCN(C(=O)C(C)C)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317291 568726619 /nfs/dbraw/zinc/72/66/19/568726619.db2.gz HSBFMUBQMLSEBO-IBGZPJMESA-N 1 2 408.590 4.502 50 0 HJAALO Cc1cccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)CC(C)C)CC2)c1 ZINC000096317494 568726858 /nfs/dbraw/zinc/72/68/58/568726858.db2.gz FJYGSLXRFSPVGU-UHFFFAOYSA-N 1 2 422.617 4.577 50 0 HJAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1cccc2ccccc21 ZINC000000882835 568737879 /nfs/dbraw/zinc/73/78/79/568737879.db2.gz NKDDUIBLRPVOGT-UHFFFAOYSA-N 1 2 411.490 4.700 50 0 HJAALO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2noc(-c3ccc(C)cc3)n2)CC1 ZINC000021724491 568750996 /nfs/dbraw/zinc/75/09/96/568750996.db2.gz NDKSOFFOKIMQJZ-UHFFFAOYSA-N 1 2 418.541 4.767 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4c(C)cc(C)cc4C)C3)no2)cc1 ZINC000021724863 568751184 /nfs/dbraw/zinc/75/11/84/568751184.db2.gz AMOFVIHIIUWMLA-NRFANRHFSA-N 1 2 418.541 4.821 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4c(C)cc(C)cc4C)C3)no2)cc1 ZINC000021724863 568751185 /nfs/dbraw/zinc/75/11/85/568751185.db2.gz AMOFVIHIIUWMLA-NRFANRHFSA-N 1 2 418.541 4.821 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc(C)c4C)C3)no2)cc1 ZINC000021724832 568751190 /nfs/dbraw/zinc/75/11/90/568751190.db2.gz AAUJYKYDJLBZEB-FQEVSTJZSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4cccc(C)c4C)C3)no2)cc1 ZINC000021724832 568751191 /nfs/dbraw/zinc/75/11/91/568751191.db2.gz AAUJYKYDJLBZEB-FQEVSTJZSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4cc(Cl)ccc4C)C3)no2)cc1 ZINC000021724807 568751385 /nfs/dbraw/zinc/75/13/85/568751385.db2.gz GGMZVKBUHRFLSN-SFHVURJKSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4cc(Cl)ccc4C)C3)no2)cc1 ZINC000021724807 568751388 /nfs/dbraw/zinc/75/13/88/568751388.db2.gz GGMZVKBUHRFLSN-SFHVURJKSA-N 1 2 424.932 4.858 50 0 HJAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NCCc1ccc(OC)c(OC)c1 ZINC000000953635 568758578 /nfs/dbraw/zinc/75/85/78/568758578.db2.gz UMDQJXBZLOEPNB-UHFFFAOYSA-N 1 2 408.498 4.700 50 0 HJAALO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCc1ncc(-c2cccc(Cl)c2)o1 ZINC000097220738 568769895 /nfs/dbraw/zinc/76/98/95/568769895.db2.gz JUVMDSYKKQLZBS-UHFFFAOYSA-N 1 2 410.905 4.696 50 0 HJAALO O=C(NCCc1ccccc1F)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000028436188 568785003 /nfs/dbraw/zinc/78/50/03/568785003.db2.gz XEGRYRYTHPNGCD-UHFFFAOYSA-N 1 2 405.498 4.738 50 0 HJAALO Cc1ccc(-c2csc3[nH]c(C[N@H+]4CCC[C@H]4c4cccn4C)nc(=O)c23)s1 ZINC000057292113 568826107 /nfs/dbraw/zinc/82/61/07/568826107.db2.gz AGKXGVQDRHKCCJ-INIZCTEOSA-N 1 2 410.568 4.697 50 0 HJAALO Cc1ccc(-c2csc3[nH]c(C[N@@H+]4CCC[C@H]4c4cccn4C)nc(=O)c23)s1 ZINC000057292113 568826109 /nfs/dbraw/zinc/82/61/09/568826109.db2.gz AGKXGVQDRHKCCJ-INIZCTEOSA-N 1 2 410.568 4.697 50 0 HJAALO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000057406251 568832812 /nfs/dbraw/zinc/83/28/12/568832812.db2.gz KZPMPXXJBUHUBU-VWLOTQADSA-N 1 2 415.537 4.511 50 0 HJAALO Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000057477784 568839732 /nfs/dbraw/zinc/83/97/32/568839732.db2.gz AXPJBDKQIPVHCZ-UHFFFAOYSA-N 1 2 416.422 4.937 50 0 HJAALO COc1cc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(Cl)c1OC(C)C ZINC000012541489 568848549 /nfs/dbraw/zinc/84/85/49/568848549.db2.gz XYLJKWBCILKLIB-OAHLLOKOSA-N 1 2 413.905 4.813 50 0 HJAALO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012549659 568852116 /nfs/dbraw/zinc/85/21/16/568852116.db2.gz DBVPDFWZAJRLKU-KZULUSFZSA-N 1 2 422.287 4.539 50 0 HJAALO COc1ccccc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1[nH+]ccn1C ZINC000012559992 568857345 /nfs/dbraw/zinc/85/73/45/568857345.db2.gz RCNORJSAGKTMGA-QGZVFWFLSA-N 1 2 405.285 4.647 50 0 HJAALO CCOC(=O)C1CC[NH+]([C@@H](C(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)CC1 ZINC000058012559 568876119 /nfs/dbraw/zinc/87/61/19/568876119.db2.gz SPEYLDMGCSNFAP-HSZRJFAPSA-N 1 2 408.542 4.765 50 0 HJAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012767797 568949492 /nfs/dbraw/zinc/94/94/92/568949492.db2.gz XHWLQSDUJINAHZ-QFIPXVFZSA-N 1 2 412.942 4.996 50 0 HJAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012767797 568949494 /nfs/dbraw/zinc/94/94/94/568949494.db2.gz XHWLQSDUJINAHZ-QFIPXVFZSA-N 1 2 412.942 4.996 50 0 HJAALO Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)cc12 ZINC000007986213 568964718 /nfs/dbraw/zinc/96/47/18/568964718.db2.gz CDIQKZAPVOELIV-OAHLLOKOSA-N 1 2 407.543 4.739 50 0 HJAALO CSCC[C@@H]([NH2+]Cc1c(C)nn(CC(C)C)c1Cl)c1nc2ccccc2[nH]1 ZINC000008345220 568994445 /nfs/dbraw/zinc/99/44/45/568994445.db2.gz PUWWOQUFXCUDEJ-GOSISDBHSA-N 1 2 405.999 4.961 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000015870609 569017357 /nfs/dbraw/zinc/01/73/57/569017357.db2.gz OIAGGFPMHIGHKH-UHFFFAOYSA-N 1 2 423.513 4.781 50 0 HJAALO Cc1ccc(S(=O)(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)cc1 ZINC000015870683 569017477 /nfs/dbraw/zinc/01/74/77/569017477.db2.gz YHKZLDOWDPQQCF-UHFFFAOYSA-N 1 2 405.523 4.766 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(OC(F)F)cc1 ZINC000012921185 569023244 /nfs/dbraw/zinc/02/32/44/569023244.db2.gz FBHQXYWRFYGQQT-LJQANCHMSA-N 1 2 420.506 4.997 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(OC(F)F)cc1 ZINC000012921185 569023245 /nfs/dbraw/zinc/02/32/45/569023245.db2.gz FBHQXYWRFYGQQT-LJQANCHMSA-N 1 2 420.506 4.997 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccc(F)c(Cl)c4)CC3)cn2)cc1 ZINC000035403700 569035557 /nfs/dbraw/zinc/03/55/57/569035557.db2.gz UPCCAFVJEMUOBV-UHFFFAOYSA-N 1 2 424.907 4.701 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccc(F)c(Cl)c4)CC3)cn2)cc1 ZINC000035403700 569035558 /nfs/dbraw/zinc/03/55/58/569035558.db2.gz UPCCAFVJEMUOBV-UHFFFAOYSA-N 1 2 424.907 4.701 50 0 HJAALO O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575620243 569038756 /nfs/dbraw/zinc/03/87/56/569038756.db2.gz OWXVVDPYMHRWKZ-UHFFFAOYSA-N 1 2 415.415 4.923 50 0 HJAALO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239433266 569054328 /nfs/dbraw/zinc/05/43/28/569054328.db2.gz XLCAGXRIGHCOHU-YJBOKZPZSA-N 1 2 405.523 5.057 50 0 HJAALO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239433266 569054329 /nfs/dbraw/zinc/05/43/29/569054329.db2.gz XLCAGXRIGHCOHU-YJBOKZPZSA-N 1 2 405.523 5.057 50 0 HJAALO COc1ccc(Cn2cc[nH+]c2CN(CC2CC2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000006723555 569100382 /nfs/dbraw/zinc/10/03/82/569100382.db2.gz LWUQNMGRWWCPTO-UHFFFAOYSA-N 1 2 409.917 4.646 50 0 HJAALO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)c(OC)c1OC ZINC000036348530 569144626 /nfs/dbraw/zinc/14/46/26/569144626.db2.gz ZXXUZHYLCPNKFV-JOCHJYFZSA-N 1 2 410.489 4.648 50 0 HJAALO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)c(OC)c1OC ZINC000036348530 569144628 /nfs/dbraw/zinc/14/46/28/569144628.db2.gz ZXXUZHYLCPNKFV-JOCHJYFZSA-N 1 2 410.489 4.648 50 0 HJAALO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000036476278 569190279 /nfs/dbraw/zinc/19/02/79/569190279.db2.gz MWCSZCYOAHNCCF-CABCVRRESA-N 1 2 420.340 4.671 50 0 HJAALO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000036476278 569190280 /nfs/dbraw/zinc/19/02/80/569190280.db2.gz MWCSZCYOAHNCCF-CABCVRRESA-N 1 2 420.340 4.671 50 0 HJAALO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nc(-c3ccccc3C)no2)CC1 ZINC000065184119 569191175 /nfs/dbraw/zinc/19/11/75/569191175.db2.gz XDHGWULMFCYKJX-UHFFFAOYSA-N 1 2 424.932 4.825 50 0 HJAALO O=C(C[C@@H](c1ccsc1)n1cccc1)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000524735178 569214275 /nfs/dbraw/zinc/21/42/75/569214275.db2.gz CMBYLNQBUYTQOZ-NRFANRHFSA-N 1 2 406.555 4.935 50 0 HJAALO Cc1[nH+]c2ccccc2n1CC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000036708727 569223721 /nfs/dbraw/zinc/22/37/21/569223721.db2.gz BQFVVODTQOSOJB-UHFFFAOYSA-N 1 2 401.432 4.916 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cn2nc(C)n(-c3ccc(C)cc3)c2=S)c1 ZINC000007316702 569233222 /nfs/dbraw/zinc/23/32/22/569233222.db2.gz NKQNJCPVJVERRK-NRFANRHFSA-N 1 2 424.570 4.832 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cn2nc(C)n(-c3ccc(C)cc3)c2=S)c1 ZINC000007316702 569233223 /nfs/dbraw/zinc/23/32/23/569233223.db2.gz NKQNJCPVJVERRK-NRFANRHFSA-N 1 2 424.570 4.832 50 0 HJAALO CCc1ccc(C2=CC[N@H+](CC(=O)N[C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000170591531 569240586 /nfs/dbraw/zinc/24/05/86/569240586.db2.gz ONDJYLUBAYKQFF-DEOSSOPVSA-N 1 2 417.578 4.700 50 0 HJAALO CCc1ccc(C2=CC[N@@H+](CC(=O)N[C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000170591531 569240587 /nfs/dbraw/zinc/24/05/87/569240587.db2.gz ONDJYLUBAYKQFF-DEOSSOPVSA-N 1 2 417.578 4.700 50 0 HJAALO C[C@H](CCc1ccccc1)Nc1c(C(=O)N2CCOCC2)c[nH+]c2ccc(Cl)cc21 ZINC000067288430 571066129 /nfs/dbraw/zinc/06/61/29/571066129.db2.gz SIXWIZLASXFHQI-QGZVFWFLSA-N 1 2 423.944 4.794 50 0 HJAALO CCc1cccc(C)c1N(C(=O)Cn1c2ccccc2[nH+]c1C1CC1)[C@H](C)COC ZINC000039907688 571134931 /nfs/dbraw/zinc/13/49/31/571134931.db2.gz GNLWFQSCSUUJLB-GOSISDBHSA-N 1 2 405.542 4.853 50 0 HJAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)n1 ZINC000009573295 571269242 /nfs/dbraw/zinc/26/92/42/571269242.db2.gz KLKBCPJGTWBAKQ-UHFFFAOYSA-N 1 2 411.893 4.875 50 0 HJAALO Cc1cc(C)cc(C(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)c1 ZINC000009573346 571269253 /nfs/dbraw/zinc/26/92/53/571269253.db2.gz RKPIZUCJDNDXRP-UHFFFAOYSA-N 1 2 401.514 4.998 50 0 HJAALO CCOc1ccc2nc(N(CCCn3cc[nH+]c3)C(=O)c3cccc(F)c3)sc2c1 ZINC000010381584 571301638 /nfs/dbraw/zinc/30/16/38/571301638.db2.gz UNKXFYXHWAVYOF-UHFFFAOYSA-N 1 2 424.501 4.768 50 0 HJAALO Cc1ccc([C@@H](CNc2ncnc3scc(-c4ccccc4)c32)[NH+]2CCOCC2)o1 ZINC000071873523 571304049 /nfs/dbraw/zinc/30/40/49/571304049.db2.gz JHPAIQQRUOFCNN-LJQANCHMSA-N 1 2 420.538 4.745 50 0 HJAALO Clc1ccc(-n2ncc3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000002374001 132253641 /nfs/dbraw/zinc/25/36/41/132253641.db2.gz JFRFDMWUTRYSDQ-UHFFFAOYSA-N 1 2 403.917 4.928 50 0 HJAALO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cn2c(cccc2C)n1 ZINC000032935710 521552689 /nfs/dbraw/zinc/55/26/89/521552689.db2.gz QDHMLQRUXIVCBU-UHFFFAOYSA-N 1 2 405.329 4.800 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cn2c(cccc2C)n1 ZINC000032935710 521552700 /nfs/dbraw/zinc/55/27/00/521552700.db2.gz QDHMLQRUXIVCBU-UHFFFAOYSA-N 1 2 405.329 4.800 50 0 HJAALO CC[C@@H]1c2ccsc2CC[N@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000032784168 523628344 /nfs/dbraw/zinc/62/83/44/523628344.db2.gz GQLQRMILJAIZBK-WIVVBHTDSA-N 1 2 403.592 4.542 50 0 HJAALO CC[C@@H]1c2ccsc2CC[N@@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000032784168 523628357 /nfs/dbraw/zinc/62/83/57/523628357.db2.gz GQLQRMILJAIZBK-WIVVBHTDSA-N 1 2 403.592 4.542 50 0 HJAALO COc1ccc(C(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c(OC)c1 ZINC000032960813 523749363 /nfs/dbraw/zinc/74/93/63/523749363.db2.gz BOSMJAQPUVLKAL-UHFFFAOYSA-N 1 2 415.493 4.628 50 0 HJAALO Cc1ccc(C)c(C[N@@H+]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)c1 ZINC000020574508 524100532 /nfs/dbraw/zinc/10/05/32/524100532.db2.gz UJVFZMGEFNADLZ-UHFFFAOYSA-N 1 2 417.488 4.711 50 0 HJAALO Cc1ccc(C)c(C[N@H+]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)c1 ZINC000020574508 524100541 /nfs/dbraw/zinc/10/05/41/524100541.db2.gz UJVFZMGEFNADLZ-UHFFFAOYSA-N 1 2 417.488 4.711 50 0 HJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc12 ZINC000032953806 525064879 /nfs/dbraw/zinc/06/48/79/525064879.db2.gz KTZWTXYVBHKKOU-UHFFFAOYSA-N 1 2 418.497 4.949 50 0 HJAALO COc1ccc2cc([C@@H](C)C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)ccc2c1 ZINC000032830711 525635242 /nfs/dbraw/zinc/63/52/42/525635242.db2.gz FBUADDGIKLEDFL-WAIKUNEKSA-N 1 2 417.484 4.730 50 0 HJAALO Cc1ccc(-c2cccc3c(C(=O)N4CCN(c5cccc[nH+]5)CC4)cc(C)nc23)cc1 ZINC000033036914 525756740 /nfs/dbraw/zinc/75/67/40/525756740.db2.gz YYEYOIVJTJZONK-UHFFFAOYSA-N 1 2 422.532 4.876 50 0 HJAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)N[C@H]1CCCc2ccccc21 ZINC000032752903 527090845 /nfs/dbraw/zinc/09/08/45/527090845.db2.gz ZIUVRQGQBJVDHT-SFHVURJKSA-N 1 2 406.486 4.536 50 0 HJAALO FC(F)(F)c1cccc(C[NH+]2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000032718931 527684732 /nfs/dbraw/zinc/68/47/32/527684732.db2.gz KQSDGOQHCOYJRO-UHFFFAOYSA-N 1 2 401.432 4.678 50 0 HJAALO FC(F)(F)c1cccc(CN2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000032718931 527684734 /nfs/dbraw/zinc/68/47/34/527684734.db2.gz KQSDGOQHCOYJRO-UHFFFAOYSA-N 1 2 401.432 4.678 50 0 HJAALO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=[NH+]3)cc1 ZINC000002256569 557331816 /nfs/dbraw/zinc/33/18/16/557331816.db2.gz SCNMAJFBWPLJQU-BJKOFHAPSA-N 1 2 410.452 4.938 50 0 HJAALO O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000034853476 557469543 /nfs/dbraw/zinc/46/95/43/557469543.db2.gz UICOBYFAZAMCDW-HSZRJFAPSA-N 1 2 411.977 4.652 50 0 HJAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000034906815 557474265 /nfs/dbraw/zinc/47/42/65/557474265.db2.gz WBGQFQXCNBWRDC-HXUWFJFHSA-N 1 2 422.548 4.754 50 0 HJAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000034910080 557475927 /nfs/dbraw/zinc/47/59/27/557475927.db2.gz DVLZUAGZMMBJMZ-LJQANCHMSA-N 1 2 408.521 4.508 50 0 HJAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3c(-c3cccs3)c2C1 ZINC000019816085 558287106 /nfs/dbraw/zinc/28/71/06/558287106.db2.gz QNCQRGGPCLUDNY-UHFFFAOYSA-N 1 2 420.563 4.847 50 0 HJAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3c(-c3cccs3)c2C1 ZINC000019816085 558287107 /nfs/dbraw/zinc/28/71/07/558287107.db2.gz QNCQRGGPCLUDNY-UHFFFAOYSA-N 1 2 420.563 4.847 50 0 HJAALO COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000012384697 558393916 /nfs/dbraw/zinc/39/39/16/558393916.db2.gz FBRMXFHOHRHBGY-HSZRJFAPSA-N 1 2 410.477 4.973 50 0 HJAALO Fc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCc2nc3ccccc3o2)cc1 ZINC000021342248 558436476 /nfs/dbraw/zinc/43/64/76/558436476.db2.gz RDXAVEUNORHXJD-UHFFFAOYSA-N 1 2 423.517 4.826 50 0 HJAALO CCC[N@H+](CC(=O)N[C@H](C)c1cc2ccccc2o1)Cc1nnc(-c2cccs2)o1 ZINC000021582634 558442008 /nfs/dbraw/zinc/44/20/08/558442008.db2.gz VHHPAMAYJRZALY-OAHLLOKOSA-N 1 2 424.526 4.634 50 0 HJAALO CCC[N@@H+](CC(=O)N[C@H](C)c1cc2ccccc2o1)Cc1nnc(-c2cccs2)o1 ZINC000021582634 558442009 /nfs/dbraw/zinc/44/20/09/558442009.db2.gz VHHPAMAYJRZALY-OAHLLOKOSA-N 1 2 424.526 4.634 50 0 HJAALO O=C(Cn1cc[nH+]c1)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000010809621 558457115 /nfs/dbraw/zinc/45/71/15/558457115.db2.gz HHLSEHIPLQTCCU-KRWDZBQOSA-N 1 2 413.308 4.620 50 0 HJAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000012788606 558464313 /nfs/dbraw/zinc/46/43/13/558464313.db2.gz XGOLHSORZMIRMQ-DNVCBOLYSA-N 1 2 404.539 4.888 50 0 HJAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CCC[C@@H]1c1cccn1C ZINC000012788606 558464316 /nfs/dbraw/zinc/46/43/16/558464316.db2.gz XGOLHSORZMIRMQ-DNVCBOLYSA-N 1 2 404.539 4.888 50 0 HJAALO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc2n3CC[N@@H+](C3CCCCC3)C2)c1 ZINC000012950374 558488052 /nfs/dbraw/zinc/48/80/52/558488052.db2.gz SOOHSGMSXCLTDP-UHFFFAOYSA-N 1 2 418.541 4.511 50 0 HJAALO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc2n3CC[N@H+](C3CCCCC3)C2)c1 ZINC000012950374 558488056 /nfs/dbraw/zinc/48/80/56/558488056.db2.gz SOOHSGMSXCLTDP-UHFFFAOYSA-N 1 2 418.541 4.511 50 0 HJAALO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022792802 558512060 /nfs/dbraw/zinc/51/20/60/558512060.db2.gz JNHKUFUABZDVJS-HNNXBMFYSA-N 1 2 404.892 4.964 50 0 HJAALO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000023908320 558581114 /nfs/dbraw/zinc/58/11/14/558581114.db2.gz BKTBVAMVIJFEDD-QVKFZJNVSA-N 1 2 421.447 4.965 50 0 HJAALO c1csc([C@@H](CNc2ncnc3scc(-c4ccccc4)c32)[NH+]2CCOCC2)c1 ZINC000024574711 558601555 /nfs/dbraw/zinc/60/15/55/558601555.db2.gz QQQWNFPHUFTFMY-GOSISDBHSA-N 1 2 422.579 4.905 50 0 HJAALO CCc1ccc(C(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1 ZINC000004490751 558609570 /nfs/dbraw/zinc/60/95/70/558609570.db2.gz RZDIOWNFQKPHOX-HNNXBMFYSA-N 1 2 412.534 4.566 50 0 HJAALO C[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329189 558638125 /nfs/dbraw/zinc/63/81/25/558638125.db2.gz BIFGJZQFTVKJMP-KUHUBIRLSA-N 1 2 424.397 4.742 50 0 HJAALO CCCCc1noc(CSc2nc(N)c(-c3ccc(Cl)cc3)c(CC)[nH+]2)n1 ZINC000025589496 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Cc1cc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000011077301 132347368 /nfs/dbraw/zinc/34/73/68/132347368.db2.gz MDAWCFICAZVODL-UHFFFAOYSA-N 1 2 416.525 4.663 50 0 HJAALO Cc1nnc(C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)o1 ZINC000020541828 526332318 /nfs/dbraw/zinc/33/23/18/526332318.db2.gz ZOFQRTKYOCUFSQ-UHFFFAOYSA-N 1 2 413.481 4.668 50 0 HJAALO Cc1nnc(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)o1 ZINC000020541828 526332327 /nfs/dbraw/zinc/33/23/27/526332327.db2.gz ZOFQRTKYOCUFSQ-UHFFFAOYSA-N 1 2 413.481 4.668 50 0 HJAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccc(Br)o1 ZINC000045901774 527167149 /nfs/dbraw/zinc/16/71/49/527167149.db2.gz ZBZLXIFHVQASGU-UHFFFAOYSA-N 1 2 410.271 4.956 50 0 HJAALO CCCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2cc(C)ccc2C)CC1 ZINC000006837272 534960431 /nfs/dbraw/zinc/96/04/31/534960431.db2.gz GTIJBOBBYWDZHU-UHFFFAOYSA-N 1 2 408.590 4.530 50 0 HJAALO Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=[NH+]3)cc1 ZINC000000632229 557027309 /nfs/dbraw/zinc/02/73/09/557027309.db2.gz HONMPFMPCHIUPH-SFTDATJTSA-N 1 2 402.454 4.691 50 0 HJAALO COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000001068855 557168167 /nfs/dbraw/zinc/16/81/67/557168167.db2.gz BPBLHYUZTCPQST-QHCPKHFHSA-N 1 2 410.477 4.973 50 0 HJAALO CC(C)CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022631956 557298655 /nfs/dbraw/zinc/29/86/55/557298655.db2.gz DPBTZJFOFIOTKY-JOCHJYFZSA-N 1 2 415.375 4.729 50 0 HJAALO C[C@H](NC(=O)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1)c1ccccc1 ZINC000034668409 557362094 /nfs/dbraw/zinc/36/20/94/557362094.db2.gz PTWDNQYYACZFQM-FQEVSTJZSA-N 1 2 417.528 4.639 50 0 HJAALO Fc1cccc(Cl)c1CSC1=[NH+]CN(Cc2c(F)cccc2Cl)CN1 ZINC000004300036 557537345 /nfs/dbraw/zinc/53/73/45/557537345.db2.gz KEYWBFRDNZKFCL-UHFFFAOYSA-N 1 2 402.297 4.881 50 0 HJAALO Cc1ccc(OCc2nn(C[NH+]3CCC(c4ccccc4)CC3)c(=S)n2C)cc1C ZINC000004520443 557563182 /nfs/dbraw/zinc/56/31/82/557563182.db2.gz AATLDPUMYIIZEU-UHFFFAOYSA-N 1 2 422.598 4.984 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)CC1)S2 ZINC000022853343 557840215 /nfs/dbraw/zinc/84/02/15/557840215.db2.gz CPRUHYJUCXVLLU-INIZCTEOSA-N 1 2 424.492 4.899 50 0 HJAALO COc1ccc(NC(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)cc1 ZINC000009573437 557845956 /nfs/dbraw/zinc/84/59/56/557845956.db2.gz HAIGUYARFWIUMI-UHFFFAOYSA-N 1 2 418.501 4.781 50 0 HJAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019808980 558286095 /nfs/dbraw/zinc/28/60/95/558286095.db2.gz DBDJAKVHNDKHET-UHFFFAOYSA-N 1 2 404.941 4.816 50 0 HJAALO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020311676 558355086 /nfs/dbraw/zinc/35/50/86/558355086.db2.gz BIBOVCPCOSIHJP-JZLODUJNSA-N 1 2 419.352 4.618 50 0 HJAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+][C@@H](C)c1ccco1 ZINC000020363193 558358250 /nfs/dbraw/zinc/35/82/50/558358250.db2.gz DQTIAQGUPGNURV-HNNXBMFYSA-N 1 2 422.510 4.616 50 0 HJAALO Cc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000004341642 558425202 /nfs/dbraw/zinc/42/52/02/558425202.db2.gz NEYGIJFFFITVBB-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO FC(F)(F)c1ccc(-c2noc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000020995147 558426613 /nfs/dbraw/zinc/42/66/13/558426613.db2.gz MZESFIMMNLXULA-UHFFFAOYSA-N 1 2 422.838 4.731 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000012630067 558441328 /nfs/dbraw/zinc/44/13/28/558441328.db2.gz DYCWVYDKXSBKDV-FQEVSTJZSA-N 1 2 422.941 4.645 50 0 HJAALO O=C(Cn1cc[nH+]c1)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000010809623 558457097 /nfs/dbraw/zinc/45/70/97/558457097.db2.gz HHLSEHIPLQTCCU-QGZVFWFLSA-N 1 2 413.308 4.620 50 0 HJAALO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012979375 558492938 /nfs/dbraw/zinc/49/29/38/558492938.db2.gz IPKIQNSDMSRIHW-LBPRGKRZSA-N 1 2 404.333 4.518 50 0 HJAALO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012979375 558492941 /nfs/dbraw/zinc/49/29/41/558492941.db2.gz IPKIQNSDMSRIHW-LBPRGKRZSA-N 1 2 404.333 4.518 50 0 HJAALO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012979608 558492981 /nfs/dbraw/zinc/49/29/81/558492981.db2.gz TULHHXWVLOSNCN-GOSISDBHSA-N 1 2 424.957 4.981 50 0 HJAALO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012979608 558492984 /nfs/dbraw/zinc/49/29/84/558492984.db2.gz TULHHXWVLOSNCN-GOSISDBHSA-N 1 2 424.957 4.981 50 0 HJAALO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012979373 558492993 /nfs/dbraw/zinc/49/29/93/558492993.db2.gz IPKIQNSDMSRIHW-GFCCVEGCSA-N 1 2 404.333 4.518 50 0 HJAALO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012979373 558492997 /nfs/dbraw/zinc/49/29/97/558492997.db2.gz IPKIQNSDMSRIHW-GFCCVEGCSA-N 1 2 404.333 4.518 50 0 HJAALO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)oc2cc(C)ccc12 ZINC000013069562 558510949 /nfs/dbraw/zinc/51/09/49/558510949.db2.gz QQVPFULYYGNTLJ-UHFFFAOYSA-N 1 2 419.308 4.869 50 0 HJAALO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)oc2cc(C)ccc12 ZINC000013069562 558510952 /nfs/dbraw/zinc/51/09/52/558510952.db2.gz QQVPFULYYGNTLJ-UHFFFAOYSA-N 1 2 419.308 4.869 50 0 HJAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000022789292 558511572 /nfs/dbraw/zinc/51/15/72/558511572.db2.gz VNNIZKVVMXJMLO-FQEVSTJZSA-N 1 2 417.528 4.638 50 0 HJAALO COc1ccc(-c2csc3ncnc(NCc4ccc(-n5cc[nH+]c5)nc4)c23)cc1 ZINC000023077809 558533492 /nfs/dbraw/zinc/53/34/92/558533492.db2.gz YMYHKVXAHSMJGM-UHFFFAOYSA-N 1 2 414.494 4.560 50 0 HJAALO C[N@@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000013591077 558546134 /nfs/dbraw/zinc/54/61/34/558546134.db2.gz ASQFCOLZFPITDH-RZTXVSJASA-N 1 2 416.908 4.716 50 0 HJAALO C[N@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000013591077 558546136 /nfs/dbraw/zinc/54/61/36/558546136.db2.gz ASQFCOLZFPITDH-RZTXVSJASA-N 1 2 416.908 4.716 50 0 HJAALO Cc1ccc(-c2csc3[nH]c(C[N@H+](C)CCOc4ccccc4)nc(=O)c23)s1 ZINC000023908378 558581062 /nfs/dbraw/zinc/58/10/62/558581062.db2.gz QFQGVFPWIRJKJT-UHFFFAOYSA-N 1 2 411.552 4.532 50 0 HJAALO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C)CCOc4ccccc4)nc(=O)c23)s1 ZINC000023908378 558581063 /nfs/dbraw/zinc/58/10/63/558581063.db2.gz QFQGVFPWIRJKJT-UHFFFAOYSA-N 1 2 411.552 4.532 50 0 HJAALO CCc1ccc(C(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1 ZINC000004490748 558609596 /nfs/dbraw/zinc/60/95/96/558609596.db2.gz RZDIOWNFQKPHOX-OAHLLOKOSA-N 1 2 412.534 4.566 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c1 ZINC000014185881 558630737 /nfs/dbraw/zinc/63/07/37/558630737.db2.gz SBODZJISCUCEIZ-HXUWFJFHSA-N 1 2 424.570 4.738 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c1 ZINC000014185881 558630740 /nfs/dbraw/zinc/63/07/40/558630740.db2.gz SBODZJISCUCEIZ-HXUWFJFHSA-N 1 2 424.570 4.738 50 0 HJAALO C[N@H+](CN1C(=O)NC2(CCCCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197189 558633871 /nfs/dbraw/zinc/63/38/71/558633871.db2.gz QFYAGBZPYDPJGC-JOCHJYFZSA-N 1 2 423.532 4.839 50 0 HJAALO C[N@@H+](CN1C(=O)NC2(CCCCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197189 558633873 /nfs/dbraw/zinc/63/38/73/558633873.db2.gz QFYAGBZPYDPJGC-JOCHJYFZSA-N 1 2 423.532 4.839 50 0 HJAALO O=c1[nH]c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000025747957 558648751 /nfs/dbraw/zinc/64/87/51/558648751.db2.gz QAICQTPOTPHIIE-UHFFFAOYSA-N 1 2 401.432 4.809 50 0 HJAALO Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)oc2c1 ZINC000028290129 558696432 /nfs/dbraw/zinc/69/64/32/558696432.db2.gz CIPULZXAAOAAFA-IBGZPJMESA-N 1 2 424.928 4.630 50 0 HJAALO CC(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)[NH+]2CCOCC2)cc1 ZINC000028291001 558697152 /nfs/dbraw/zinc/69/71/52/558697152.db2.gz XHCSZVXDAPNWSG-LHRVCSDGSA-N 1 2 412.961 4.666 50 0 HJAALO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000059387774 558727188 /nfs/dbraw/zinc/72/71/88/558727188.db2.gz ZUGPEHCIBMPAQE-JTQLQIEISA-N 1 2 404.791 4.851 50 0 HJAALO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000059387774 558727189 /nfs/dbraw/zinc/72/71/89/558727189.db2.gz ZUGPEHCIBMPAQE-JTQLQIEISA-N 1 2 404.791 4.851 50 0 HJAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 ZINC000034863350 558785713 /nfs/dbraw/zinc/78/57/13/558785713.db2.gz DFZBTMNYFZPVEW-XMMPIXPASA-N 1 2 420.484 4.581 50 0 HJAALO COc1cc2c(cc1OC)C[N@H+]([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 ZINC000034863350 558785715 /nfs/dbraw/zinc/78/57/15/558785715.db2.gz DFZBTMNYFZPVEW-XMMPIXPASA-N 1 2 420.484 4.581 50 0 HJAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000034910015 558787573 /nfs/dbraw/zinc/78/75/73/558787573.db2.gz KUQGWQNCPOLKOB-FPOVZHCZSA-N 1 2 404.558 4.930 50 0 HJAALO COc1cc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000035615863 558794374 /nfs/dbraw/zinc/79/43/74/558794374.db2.gz WWNJTVAHRFPBOK-UHFFFAOYSA-N 1 2 419.437 4.505 50 0 HJAALO CCOc1ccc(NC(=O)C2CCN(c3[nH+]cccc3-n3c(C)ccc3C)CC2)cc1 ZINC000033034480 558858451 /nfs/dbraw/zinc/85/84/51/558858451.db2.gz VAOYSWPFUXEDOE-UHFFFAOYSA-N 1 2 418.541 4.743 50 0 HJAALO CCN(Cc1ccccc1)c1c(C(=O)N2CCSCC2)c[nH+]c2ccc(F)cc21 ZINC000072328406 558863767 /nfs/dbraw/zinc/86/37/67/558863767.db2.gz OJJJNJVFCAEMKP-UHFFFAOYSA-N 1 2 409.530 4.589 50 0 HJAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1N1CCN(c2ccccc2)CC1 ZINC000072328433 558863854 /nfs/dbraw/zinc/86/38/54/558863854.db2.gz LXBWPGCDYZDYHS-UHFFFAOYSA-N 1 2 422.960 4.697 50 0 HJAALO FC(F)(F)c1ccccc1NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055053877 558870837 /nfs/dbraw/zinc/87/08/37/558870837.db2.gz IJHFEHRGCOTOTJ-RMKNXTFCSA-N 1 2 405.489 4.733 50 0 HJAALO CCOc1cc2[nH]c(=S)n(CCC[N@@H+]3CCCC[C@H]3CC)c(=O)c2cc1OCC ZINC000004657953 558872107 /nfs/dbraw/zinc/87/21/07/558872107.db2.gz AWACEEJCBSRXQO-MRXNPFEDSA-N 1 2 419.591 4.511 50 0 HJAALO CCOc1cc2[nH]c(=S)n(CCC[N@H+]3CCCC[C@H]3CC)c(=O)c2cc1OCC ZINC000004657953 558872109 /nfs/dbraw/zinc/87/21/09/558872109.db2.gz AWACEEJCBSRXQO-MRXNPFEDSA-N 1 2 419.591 4.511 50 0 HJAALO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c1 ZINC000033116566 558877906 /nfs/dbraw/zinc/87/79/06/558877906.db2.gz TVDYMPVQJZIGAZ-UHFFFAOYSA-N 1 2 405.523 4.766 50 0 HJAALO C[N@H+](Cc1ccc(-c2ccc(Br)cc2)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058159560 558904589 /nfs/dbraw/zinc/90/45/89/558904589.db2.gz XIIVDNRGGIJBIA-UHFFFAOYSA-N 1 2 424.298 4.578 50 0 HJAALO C[N@@H+](Cc1ccc(-c2ccc(Br)cc2)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058159560 558904591 /nfs/dbraw/zinc/90/45/91/558904591.db2.gz XIIVDNRGGIJBIA-UHFFFAOYSA-N 1 2 424.298 4.578 50 0 HJAALO FC(F)(F)c1nc2ccccc2c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)n1 ZINC000058160020 558904814 /nfs/dbraw/zinc/90/48/14/558904814.db2.gz CVFNKBBSMQRVIF-UHFFFAOYSA-N 1 2 412.868 4.686 50 0 HJAALO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000058202118 558911349 /nfs/dbraw/zinc/91/13/49/558911349.db2.gz ZVVBKLMFBRJNMJ-UHFFFAOYSA-N 1 2 420.513 4.609 50 0 HJAALO Cc1ccc(CNC(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)cc1 ZINC000033252158 558920297 /nfs/dbraw/zinc/92/02/97/558920297.db2.gz AVWAZXOSGXLETR-UHFFFAOYSA-N 1 2 412.537 4.629 50 0 HJAALO CCc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)[nH+]3)cc2)c1 ZINC000072437438 558980799 /nfs/dbraw/zinc/98/07/99/558980799.db2.gz FOYMDRNPTAHZSD-UHFFFAOYSA-N 1 2 413.485 4.921 50 0 HJAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732342 558989315 /nfs/dbraw/zinc/98/93/15/558989315.db2.gz OTUKDDLHXSNQFC-LQNXUBFPSA-N 1 2 422.937 4.777 50 0 HJAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732342 558989318 /nfs/dbraw/zinc/98/93/18/558989318.db2.gz OTUKDDLHXSNQFC-LQNXUBFPSA-N 1 2 422.937 4.777 50 0 HJAALO Cc1cc2c(cc1C)CN(c1cccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c1)C2 ZINC000095520134 559085080 /nfs/dbraw/zinc/08/50/80/559085080.db2.gz ZJJZQXWKFXOWMY-HXUWFJFHSA-N 1 2 400.526 4.567 50 0 HJAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)N3CCCC3)co2)[C@H](C)c2ccccc2)cc1 ZINC000096280015 559108591 /nfs/dbraw/zinc/10/85/91/559108591.db2.gz QEYZSWSJVZXAPF-HXUWFJFHSA-N 1 2 403.526 4.982 50 0 HJAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)N3CCCC3)co2)[C@H](C)c2ccccc2)cc1 ZINC000096280015 559108592 /nfs/dbraw/zinc/10/85/92/559108592.db2.gz QEYZSWSJVZXAPF-HXUWFJFHSA-N 1 2 403.526 4.982 50 0 HJAALO CC[N@H+](CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1ccccc1 ZINC000004885187 559196783 /nfs/dbraw/zinc/19/67/83/559196783.db2.gz ORLUIORMVPLYOX-UHFFFAOYSA-N 1 2 420.534 4.963 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1ccccc1 ZINC000004885187 559196784 /nfs/dbraw/zinc/19/67/84/559196784.db2.gz ORLUIORMVPLYOX-UHFFFAOYSA-N 1 2 420.534 4.963 50 0 HJAALO C[C@@H]1CCC[N@@H+]([C@@H](c2sc3nc(-c4ccco4)nn3c2O)c2ccc(F)cc2)C1 ZINC000102894351 560833109 /nfs/dbraw/zinc/83/31/09/560833109.db2.gz DVIMSPQILAHPRU-CXAGYDPISA-N 1 2 412.490 4.717 50 0 HJAALO C[C@@H]1CCC[N@H+]([C@@H](c2sc3nc(-c4ccco4)nn3c2O)c2ccc(F)cc2)C1 ZINC000102894351 560833110 /nfs/dbraw/zinc/83/31/10/560833110.db2.gz DVIMSPQILAHPRU-CXAGYDPISA-N 1 2 412.490 4.717 50 0 HJAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)Nc1ccccc1Cc1ccccc1 ZINC000048324316 568438225 /nfs/dbraw/zinc/43/82/25/568438225.db2.gz RECBUYCWZMGVHO-QFIPXVFZSA-N 1 2 421.566 4.534 50 0 HJAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)Nc1ccccc1Cc1ccccc1 ZINC000048324317 568438278 /nfs/dbraw/zinc/43/82/78/568438278.db2.gz RECBUYCWZMGVHO-JOCHJYFZSA-N 1 2 421.566 4.534 50 0 HJAALO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccccc4Cl)CC3)n2)cc1 ZINC000049403292 568448238 /nfs/dbraw/zinc/44/82/38/568448238.db2.gz RYLOOVVLLANPSP-UHFFFAOYSA-N 1 2 410.905 4.517 50 0 HJAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000007418444 568479880 /nfs/dbraw/zinc/47/98/80/568479880.db2.gz JEJWTGLIXKBRMN-SFHVURJKSA-N 1 2 416.521 4.756 50 0 HJAALO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000007418444 568479882 /nfs/dbraw/zinc/47/98/82/568479882.db2.gz JEJWTGLIXKBRMN-SFHVURJKSA-N 1 2 416.521 4.756 50 0 HJAALO Cn1c(CCc2cccc(NC(=O)CCc3nc4ccccc4[nH]3)c2)[nH+]c2ccccc21 ZINC000033261466 568512999 /nfs/dbraw/zinc/51/29/99/568512999.db2.gz VZKNARBXGJNHQB-UHFFFAOYSA-N 1 2 423.520 4.806 50 0 HJAALO Cc1ccc(CNC(=O)Cn2ccc3c2cc[nH+]c3SCc2ccc(F)cc2)o1 ZINC000033298584 568513166 /nfs/dbraw/zinc/51/31/66/568513166.db2.gz KQDNQLDGWLGZCY-UHFFFAOYSA-N 1 2 409.486 4.686 50 0 HJAALO CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(CCCn2cc[nH+]c2)C1 ZINC000095351686 568601031 /nfs/dbraw/zinc/60/10/31/568601031.db2.gz UQZJCPHVXGCGQM-UHFFFAOYSA-N 1 2 419.481 4.510 50 0 HJAALO Cc1ccc(C2=NN(C(=O)C[N@H+](Cc3cccnc3)C(C)C)[C@@H](c3ccco3)C2)cc1 ZINC000095446674 568612072 /nfs/dbraw/zinc/61/20/72/568612072.db2.gz OAKMMABSBYWIBY-HSZRJFAPSA-N 1 2 416.525 4.571 50 0 HJAALO Cc1ccc(C2=NN(C(=O)C[N@@H+](Cc3cccnc3)C(C)C)[C@@H](c3ccco3)C2)cc1 ZINC000095446674 568612073 /nfs/dbraw/zinc/61/20/73/568612073.db2.gz OAKMMABSBYWIBY-HSZRJFAPSA-N 1 2 416.525 4.571 50 0 HJAALO COc1cc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)ccc1OC(C)C ZINC000021038990 568659913 /nfs/dbraw/zinc/65/99/13/568659913.db2.gz BYHMKEBFVDOEEA-UHFFFAOYSA-N 1 2 422.504 4.713 50 0 HJAALO COc1cc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)ccc1OC(C)C ZINC000021038990 568659914 /nfs/dbraw/zinc/65/99/14/568659914.db2.gz BYHMKEBFVDOEEA-UHFFFAOYSA-N 1 2 422.504 4.713 50 0 HJAALO Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCC(C)C)CC1 ZINC000021160198 568674467 /nfs/dbraw/zinc/67/44/67/568674467.db2.gz MCJFTVQPCILROD-UHFFFAOYSA-N 1 2 418.585 4.772 50 0 HJAALO Clc1ccc(Cl)c(-c2csc(CN3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000096003581 568681826 /nfs/dbraw/zinc/68/18/26/568681826.db2.gz ZXZCFXYNDVPOOB-UHFFFAOYSA-N 1 2 419.381 4.830 50 0 HJAALO CC[C@H](C)c1nc(N2CCN(C(=O)C(C)C)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317465 568726843 /nfs/dbraw/zinc/72/68/43/568726843.db2.gz WKBZGMUXGLHBGQ-IBGZPJMESA-N 1 2 408.590 4.502 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4c(C)cc(C)cc4C)C3)no2)cc1 ZINC000021724859 568751232 /nfs/dbraw/zinc/75/12/32/568751232.db2.gz AMOFVIHIIUWMLA-OAQYLSRUSA-N 1 2 418.541 4.821 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4c(C)cc(C)cc4C)C3)no2)cc1 ZINC000021724859 568751234 /nfs/dbraw/zinc/75/12/34/568751234.db2.gz AMOFVIHIIUWMLA-OAQYLSRUSA-N 1 2 418.541 4.821 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)no2)cc1 ZINC000021724612 568751319 /nfs/dbraw/zinc/75/13/19/568751319.db2.gz ATSAGPSJAZKOTM-QGZVFWFLSA-N 1 2 410.905 4.549 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)no2)cc1 ZINC000021724612 568751322 /nfs/dbraw/zinc/75/13/22/568751322.db2.gz ATSAGPSJAZKOTM-QGZVFWFLSA-N 1 2 410.905 4.549 50 0 HJAALO CCOc1ccc(-c2nc(C(=O)Nc3cccc(Cn4cc[nH+]c4)c3)cs2)cc1 ZINC000025181670 568758429 /nfs/dbraw/zinc/75/84/29/568758429.db2.gz RUORBLNAJREDJV-UHFFFAOYSA-N 1 2 404.495 4.706 50 0 HJAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000025614332 568833205 /nfs/dbraw/zinc/83/32/05/568833205.db2.gz HTBANQZWVQQELA-UHFFFAOYSA-N 1 2 408.461 4.670 50 0 HJAALO COc1ccc([C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)cc1 ZINC000012507239 568839660 /nfs/dbraw/zinc/83/96/60/568839660.db2.gz GTDISZYBFOSDHH-QGZVFWFLSA-N 1 2 405.285 4.647 50 0 HJAALO OCCn1c(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC000012530935 568844238 /nfs/dbraw/zinc/84/42/38/568844238.db2.gz VHMCAFFHYWJMGH-NRFANRHFSA-N 1 2 415.921 4.762 50 0 HJAALO COc1cccc([C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2[nH+]ccn2C)c1 ZINC000012547430 568851523 /nfs/dbraw/zinc/85/15/23/568851523.db2.gz BZKDFKRLYYUWMJ-VWLOTQADSA-N 1 2 411.505 4.544 50 0 HJAALO Cc1ccc2[nH+]c(CSc3nnc(-c4ccc(F)cc4)n3C[C@H]3CCCO3)cn2c1 ZINC000012575597 568862410 /nfs/dbraw/zinc/86/24/10/568862410.db2.gz WQAQXIDKLPENMS-LJQANCHMSA-N 1 2 423.517 4.512 50 0 HJAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000012590125 568867900 /nfs/dbraw/zinc/86/79/00/568867900.db2.gz CKFIPEVFWGGEBB-UHFFFAOYSA-N 1 2 414.552 4.724 50 0 HJAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000012590125 568867902 /nfs/dbraw/zinc/86/79/02/568867902.db2.gz CKFIPEVFWGGEBB-UHFFFAOYSA-N 1 2 414.552 4.724 50 0 HJAALO COc1ccc(CCSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000003553521 568915225 /nfs/dbraw/zinc/91/52/25/568915225.db2.gz HNOZAOLOBGUKSF-OAHLLOKOSA-N 1 2 416.978 4.887 50 0 HJAALO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000012692046 568915445 /nfs/dbraw/zinc/91/54/45/568915445.db2.gz LPMKVJILDYTVAH-IXDOHACOSA-N 1 2 409.555 4.708 50 0 HJAALO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000012692046 568915447 /nfs/dbraw/zinc/91/54/47/568915447.db2.gz LPMKVJILDYTVAH-IXDOHACOSA-N 1 2 409.555 4.708 50 0 HJAALO Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(F)c(F)c4F)c3)[nH+]c12 ZINC000012728410 568920979 /nfs/dbraw/zinc/92/09/79/568920979.db2.gz FULKIJJGGRVGJE-UHFFFAOYSA-N 1 2 411.383 4.891 50 0 HJAALO COC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000003658665 568923344 /nfs/dbraw/zinc/92/33/44/568923344.db2.gz YEHPLVBKAJAQRA-CQSZACIVSA-N 1 2 407.470 4.880 50 0 aggregator HJAALO CC1CC[NH+](Cc2csc(NC(=O)CCc3ncc(-c4ccccc4)o3)n2)CC1 ZINC000012740598 568928822 /nfs/dbraw/zinc/92/88/22/568928822.db2.gz ASVLJKDGPLRGLJ-UHFFFAOYSA-N 1 2 410.543 4.601 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC000008215993 568982911 /nfs/dbraw/zinc/98/29/11/568982911.db2.gz GHCMRWROARYPEN-DEOSSOPVSA-N 1 2 415.468 4.511 50 0 HJAALO Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3nc4ccccc4o3)CC2)no1 ZINC000012815518 568989532 /nfs/dbraw/zinc/98/95/32/568989532.db2.gz VNWKMKBSFALBJW-QFIPXVFZSA-N 1 2 416.481 4.684 50 0 HJAALO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000012819034 568990630 /nfs/dbraw/zinc/99/06/30/568990630.db2.gz NBUREFPZLDWVBN-UHFFFAOYSA-N 1 2 420.509 4.552 50 0 HJAALO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000012819034 568990631 /nfs/dbraw/zinc/99/06/31/568990631.db2.gz NBUREFPZLDWVBN-UHFFFAOYSA-N 1 2 420.509 4.552 50 0 HJAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012875378 569013550 /nfs/dbraw/zinc/01/35/50/569013550.db2.gz MWCSZCYOAHNCCF-LSDHHAIUSA-N 1 2 420.340 4.671 50 0 HJAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012875378 569013551 /nfs/dbraw/zinc/01/35/51/569013551.db2.gz MWCSZCYOAHNCCF-LSDHHAIUSA-N 1 2 420.340 4.671 50 0 HJAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccc(Br)o1 ZINC000015863613 569016145 /nfs/dbraw/zinc/01/61/45/569016145.db2.gz DKTMWIHYWFBWOC-UHFFFAOYSA-N 1 2 410.271 4.956 50 0 HJAALO CCc1ccccc1S(=O)(=O)Nc1cccc(CCc2[nH+]c3ccccc3n2C)c1 ZINC000015870572 569017330 /nfs/dbraw/zinc/01/73/30/569017330.db2.gz YHMYIVBZBFTVHK-UHFFFAOYSA-N 1 2 419.550 4.722 50 0 HJAALO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000012912029 569021811 /nfs/dbraw/zinc/02/18/11/569021811.db2.gz WABZPQCDFDGJJS-OAHLLOKOSA-N 1 2 410.543 4.520 50 0 HJAALO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000012912029 569021812 /nfs/dbraw/zinc/02/18/12/569021812.db2.gz WABZPQCDFDGJJS-OAHLLOKOSA-N 1 2 410.543 4.520 50 0 HJAALO CCc1ccccc1NC(=O)C[N@H+]1CC=C(c2cnn(-c3ccc(C)c(C)c3)c2)CC1 ZINC000035403643 569035580 /nfs/dbraw/zinc/03/55/80/569035580.db2.gz QGFAOGOAYZZDBE-UHFFFAOYSA-N 1 2 414.553 4.779 50 0 HJAALO CCc1ccccc1NC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccc(C)c(C)c3)c2)CC1 ZINC000035403643 569035581 /nfs/dbraw/zinc/03/55/81/569035581.db2.gz QGFAOGOAYZZDBE-UHFFFAOYSA-N 1 2 414.553 4.779 50 0 HJAALO CCOc1ccc(C(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)cc1 ZINC000035481659 569039482 /nfs/dbraw/zinc/03/94/82/569039482.db2.gz HMNJADGTIZMAME-UHFFFAOYSA-N 1 2 413.521 4.650 50 0 HJAALO O=C(C[N@@H+]1CCc2ccccc2C1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000035515118 569043349 /nfs/dbraw/zinc/04/33/49/569043349.db2.gz WVFCHOPPDJONJW-JOCHJYFZSA-N 1 2 419.912 4.669 50 0 HJAALO O=C(C[N@H+]1CCc2ccccc2C1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000035515118 569043350 /nfs/dbraw/zinc/04/33/50/569043350.db2.gz WVFCHOPPDJONJW-JOCHJYFZSA-N 1 2 419.912 4.669 50 0 HJAALO COc1ccc([C@@H](NC(=O)c2sc3ccccc3c2Cl)c2[nH+]ccn2C)cc1 ZINC000016472908 569053414 /nfs/dbraw/zinc/05/34/14/569053414.db2.gz FAMWPMZVLJVRIN-GOSISDBHSA-N 1 2 411.914 4.816 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591635 569060125 /nfs/dbraw/zinc/06/01/25/569060125.db2.gz XVCZYIFVWVQIPK-YLJYHZDGSA-N 1 2 406.448 4.958 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591635 569060126 /nfs/dbraw/zinc/06/01/26/569060126.db2.gz XVCZYIFVWVQIPK-YLJYHZDGSA-N 1 2 406.448 4.958 50 0 HJAALO COc1cc(Cl)c(C)cc1NC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000089570396 569070442 /nfs/dbraw/zinc/07/04/42/569070442.db2.gz PSDVJQLLLSQIRK-UHFFFAOYSA-N 1 2 422.916 4.623 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690051 569070562 /nfs/dbraw/zinc/07/05/62/569070562.db2.gz MZUKNHVZUQMFLD-MLGOLLRUSA-N 1 2 424.492 4.899 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690051 569070563 /nfs/dbraw/zinc/07/05/63/569070563.db2.gz MZUKNHVZUQMFLD-MLGOLLRUSA-N 1 2 424.492 4.899 50 0 HJAALO CC(C)c1cc(N2CCCC2)nc(SCc2cccc(C(=O)N3CCCC3)c2)[nH+]1 ZINC000006802227 569129788 /nfs/dbraw/zinc/12/97/88/569129788.db2.gz ANFIKEZHOPEISK-UHFFFAOYSA-N 1 2 410.587 4.729 50 0 HJAALO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+](C3CC3)C3CCCC3)c2=S)c1 ZINC000036391052 569166745 /nfs/dbraw/zinc/16/67/45/569166745.db2.gz VUUSEMVMBKKHMK-UHFFFAOYSA-N 1 2 411.575 4.604 50 0 HJAALO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+](C3CC3)C3CCCC3)c2=S)c1 ZINC000036391052 569166746 /nfs/dbraw/zinc/16/67/46/569166746.db2.gz VUUSEMVMBKKHMK-UHFFFAOYSA-N 1 2 411.575 4.604 50 0 HJAALO COc1ccccc1-c1noc([C@H](c2cccc(Br)c2)[NH+]2CCCC2)n1 ZINC000170615927 569247391 /nfs/dbraw/zinc/24/73/91/569247391.db2.gz DSFUJXBBIZPIPI-SFHVURJKSA-N 1 2 414.303 4.693 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000014402410 569259842 /nfs/dbraw/zinc/25/98/42/569259842.db2.gz IPKGWVMBDWFGHG-HXUWFJFHSA-N 1 2 409.848 4.992 50 0 HJAALO Cc1cc2[nH+]cn(C[C@H](O)CSc3ncc(C(F)(F)F)cc3Cl)c2cc1C ZINC000089609019 569261235 /nfs/dbraw/zinc/26/12/35/569261235.db2.gz QAUQJMXQVDGAEI-ZDUSSCGKSA-N 1 2 415.868 4.874 50 0 HJAALO Cc1cc2[nH+]cn(C[C@@H](O)CSc3ncc(C(F)(F)F)cc3Cl)c2cc1C ZINC000089609022 569261255 /nfs/dbraw/zinc/26/12/55/569261255.db2.gz QAUQJMXQVDGAEI-CYBMUJFWSA-N 1 2 415.868 4.874 50 0 HJAALO Cc1cc2[nH+]c(Cc3ccccc3Cl)n(CC(=O)NCc3ccccn3)c2cc1C ZINC000037397746 569296883 /nfs/dbraw/zinc/29/68/83/569296883.db2.gz JAFACUXQJCGAQM-UHFFFAOYSA-N 1 2 418.928 4.609 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000007717478 569301955 /nfs/dbraw/zinc/30/19/55/569301955.db2.gz HRIPNLZUCXNNJR-KRWDZBQOSA-N 1 2 409.313 4.786 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000007717478 569301957 /nfs/dbraw/zinc/30/19/57/569301957.db2.gz HRIPNLZUCXNNJR-KRWDZBQOSA-N 1 2 409.313 4.786 50 0 HJAALO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3c(F)cccc3F)CC2)c1 ZINC000037560869 569307098 /nfs/dbraw/zinc/30/70/98/569307098.db2.gz NRHHFEUDFYJJAO-UHFFFAOYSA-N 1 2 402.485 4.627 50 0 HJAALO CCc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000002442234 569400763 /nfs/dbraw/zinc/40/07/63/569400763.db2.gz RGQAYLDKCZQGNN-UHFFFAOYSA-N 1 2 423.929 4.762 50 0 HJAALO CCc1cccc(C)c1N(C(=O)Cn1c2ccccc2[nH+]c1C1CC1)[C@@H](C)COC ZINC000039907687 571134881 /nfs/dbraw/zinc/13/48/81/571134881.db2.gz GNLWFQSCSUUJLB-SFHVURJKSA-N 1 2 405.542 4.853 50 0 HJAALO CNc1ccc(Nc2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c32)c[nH+]1 ZINC000040135247 571188403 /nfs/dbraw/zinc/18/84/03/571188403.db2.gz JVYLXCGHMUXMAU-UHFFFAOYSA-N 1 2 407.499 4.864 50 0 HJAALO Cc1cc(SCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc2ccccc12 ZINC000009466700 571261183 /nfs/dbraw/zinc/26/11/83/571261183.db2.gz DSKFTJNXHVXEPB-QGZVFWFLSA-N 1 2 402.523 4.698 50 0 HJAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)n1 ZINC000009573307 571269228 /nfs/dbraw/zinc/26/92/28/571269228.db2.gz DTMANRWZMXMHTB-UHFFFAOYSA-N 1 2 416.279 4.568 50 0 HJAALO Cc1ccc2sc(N(CCCn3cc[nH+]c3)C(=O)c3cccc(F)c3)nc2c1C ZINC000010381618 571301594 /nfs/dbraw/zinc/30/15/94/571301594.db2.gz BLTYRWOFZORRFD-UHFFFAOYSA-N 1 2 408.502 4.986 50 0 HJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc12 ZINC000032953813 525065116 /nfs/dbraw/zinc/06/51/16/525065116.db2.gz LPWHCRBALICFGW-UHFFFAOYSA-N 1 2 404.470 4.906 50 0 HJAALO Cc1cc(N2CCN([C@@H](C)c3nc4ccccc4n3C(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000032879218 525082507 /nfs/dbraw/zinc/08/25/07/525082507.db2.gz GFURJQCTYZEIKB-INIZCTEOSA-N 1 2 414.504 4.536 50 0 HJAALO Cc1cc(NCCCn2cc[nH+]c2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000040216677 525270556 /nfs/dbraw/zinc/27/05/56/525270556.db2.gz WYXJOYAJQLFVAT-UHFFFAOYSA-N 1 2 418.398 4.561 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(C(F)(F)F)c1)[NH+]1CCC(C)CC1)S2 ZINC000022853353 557840190 /nfs/dbraw/zinc/84/01/90/557840190.db2.gz NFXIHPCKVFAECE-MRXNPFEDSA-N 1 2 424.492 4.899 50 0 HJAALO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019760287 558276178 /nfs/dbraw/zinc/27/61/78/558276178.db2.gz RQBVCMRXOPLUHF-WUZDHUPESA-N 1 2 401.337 4.864 50 0 HJAALO COc1ccc(C[NH+]2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1OC ZINC000019851647 558295674 /nfs/dbraw/zinc/29/56/74/558295674.db2.gz IMRBUBWMVRAHQR-UHFFFAOYSA-N 1 2 418.537 4.814 50 0 HJAALO C[N@@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@H]1Cc2ccccc2O1 ZINC000012004777 558308890 /nfs/dbraw/zinc/30/88/90/558308890.db2.gz KFTVPGRVEPGHKN-JOCHJYFZSA-N 1 2 411.505 4.685 50 0 HJAALO C[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@H]1Cc2ccccc2O1 ZINC000012004777 558308892 /nfs/dbraw/zinc/30/88/92/558308892.db2.gz KFTVPGRVEPGHKN-JOCHJYFZSA-N 1 2 411.505 4.685 50 0 HJAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000012305626 558374745 /nfs/dbraw/zinc/37/47/45/558374745.db2.gz SEMBMQUDDZOPHO-DEOSSOPVSA-N 1 2 419.488 4.741 50 0 HJAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000012305628 558374826 /nfs/dbraw/zinc/37/48/26/558374826.db2.gz SEMBMQUDDZOPHO-XMMPIXPASA-N 1 2 419.488 4.741 50 0 HJAALO Cc1ccc(C2(c3noc(C[NH+]4CCC(Oc5cccnc5)CC4)n3)CCCC2)cc1 ZINC000012306393 558375307 /nfs/dbraw/zinc/37/53/07/558375307.db2.gz BOYHFQSWYPBSPF-UHFFFAOYSA-N 1 2 418.541 4.677 50 0 HJAALO COCc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1 ZINC000012308949 558376981 /nfs/dbraw/zinc/37/69/81/558376981.db2.gz AGTUXJXFXZXUFK-HSZRJFAPSA-N 1 2 421.497 4.607 50 0 HJAALO COCc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1 ZINC000012308949 558376982 /nfs/dbraw/zinc/37/69/82/558376982.db2.gz AGTUXJXFXZXUFK-HSZRJFAPSA-N 1 2 421.497 4.607 50 0 HJAALO Clc1ccccc1-c1nnc([C@@H]([NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2)o1 ZINC000020509703 558381924 /nfs/dbraw/zinc/38/19/24/558381924.db2.gz PTYPKZRIOKTWAZ-NRFANRHFSA-N 1 2 419.868 4.998 50 0 HJAALO Clc1ccccc1-c1nnc([C@H]([NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2)o1 ZINC000020509706 558382125 /nfs/dbraw/zinc/38/21/25/558382125.db2.gz PTYPKZRIOKTWAZ-OAQYLSRUSA-N 1 2 419.868 4.998 50 0 HJAALO Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000020617521 558393847 /nfs/dbraw/zinc/39/38/47/558393847.db2.gz QFAXKURAZUTOBU-UHFFFAOYSA-N 1 2 422.872 4.962 50 0 HJAALO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2c(F)ccc(F)c2F)CC1 ZINC000012466195 558420424 /nfs/dbraw/zinc/42/04/24/558420424.db2.gz FTPZMEWAMGTQSB-UHFFFAOYSA-N 1 2 421.459 4.501 50 0 HJAALO Cc1cccn2cc(COc3ccc(C(=O)Nc4nnc(CC(C)C)s4)cc3)[nH+]c12 ZINC000021747385 558447671 /nfs/dbraw/zinc/44/76/71/558447671.db2.gz KXSRSWGKQTTYGW-UHFFFAOYSA-N 1 2 421.526 4.524 50 0 HJAALO Fc1ccc(-c2cnc(CN3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000022056237 558459973 /nfs/dbraw/zinc/45/99/73/558459973.db2.gz ZROFKHJTNCPBEA-UHFFFAOYSA-N 1 2 419.422 4.817 50 0 HJAALO Fc1ccc(-c2cnc(C[NH+]3CCN(Cc4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000022056237 558459976 /nfs/dbraw/zinc/45/99/76/558459976.db2.gz ZROFKHJTNCPBEA-UHFFFAOYSA-N 1 2 419.422 4.817 50 0 HJAALO C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000012788609 558464325 /nfs/dbraw/zinc/46/43/25/558464325.db2.gz XGOLHSORZMIRMQ-HNAYVOBHSA-N 1 2 404.539 4.888 50 0 HJAALO C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CCC[C@@H]1c1cccn1C ZINC000012788609 558464329 /nfs/dbraw/zinc/46/43/29/558464329.db2.gz XGOLHSORZMIRMQ-HNAYVOBHSA-N 1 2 404.539 4.888 50 0 HJAALO c1ccc2c(c1)ccc(Oc1ncnc3sc4c(c31)CCC4)c2C[NH+]1CCOCC1 ZINC000023983442 558583354 /nfs/dbraw/zinc/58/33/54/558583354.db2.gz WMEIOFADSXUBCN-UHFFFAOYSA-N 1 2 417.534 4.958 50 0 HJAALO O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050325 558586940 /nfs/dbraw/zinc/58/69/40/558586940.db2.gz JQCNGGJFJSJMPQ-UHFFFAOYSA-N 1 2 419.488 4.655 50 0 HJAALO C[C@H]1CC2(CCCC2)N2C(=O)[C@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cc(F)cc1c32 ZINC000014162438 558626324 /nfs/dbraw/zinc/62/63/24/558626324.db2.gz NIYJZVRPYNEMJD-HAWMADMCSA-N 1 2 415.512 4.863 50 0 biogenic HJAALO COc1ccc(C(C)=O)cc1C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000025076447 558630593 /nfs/dbraw/zinc/63/05/93/558630593.db2.gz MFJBOUJDLYHTCU-UHFFFAOYSA-N 1 2 420.475 4.625 50 0 HJAALO COc1ccc(C(C)=O)cc1C[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000025076447 558630595 /nfs/dbraw/zinc/63/05/95/558630595.db2.gz MFJBOUJDLYHTCU-UHFFFAOYSA-N 1 2 420.475 4.625 50 0 HJAALO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)oc2c1 ZINC000028291664 558697503 /nfs/dbraw/zinc/69/75/03/558697503.db2.gz WZYFYZJJHONXHQ-HXUWFJFHSA-N 1 2 424.928 4.712 50 0 HJAALO CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000015066838 558709675 /nfs/dbraw/zinc/70/96/75/558709675.db2.gz ZRJQTCMNUMSSOE-JOCHJYFZSA-N 1 2 411.509 4.502 50 0 HJAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000030297472 558728411 /nfs/dbraw/zinc/72/84/11/558728411.db2.gz BYSGGJSCAQHGBD-UHFFFAOYSA-N 1 2 424.504 4.934 50 0 HJAALO Cc1ccc(-c2nc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3F)cs2)cc1 ZINC000015497786 558741565 /nfs/dbraw/zinc/74/15/65/558741565.db2.gz FGCKNAVNBGWXEQ-LJQANCHMSA-N 1 2 406.486 4.511 50 0 HJAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000015971817 558764549 /nfs/dbraw/zinc/76/45/49/558764549.db2.gz OTUKDDLHXSNQFC-CGYQNGNCSA-N 1 2 422.937 4.777 50 0 HJAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000015971817 558764552 /nfs/dbraw/zinc/76/45/52/558764552.db2.gz OTUKDDLHXSNQFC-CGYQNGNCSA-N 1 2 422.937 4.777 50 0 HJAALO Cc1ccccc1-c1cc(C(=O)NCCCn2cc[nH+]c2)c2cc(Cl)ccc2n1 ZINC000016392201 558789548 /nfs/dbraw/zinc/78/95/48/558789548.db2.gz JYRHOMLQXWVHPG-UHFFFAOYSA-N 1 2 404.901 4.880 50 0 HJAALO COc1ccc(C(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)c(OC)c1 ZINC000033019871 558836365 /nfs/dbraw/zinc/83/63/65/558836365.db2.gz GCBAWEKSIGHSAD-UHFFFAOYSA-N 1 2 401.466 4.618 50 0 HJAALO CCOc1ccccc1N1CC[NH+](Cc2nc(-c3cccc(F)c3F)oc2C)CC1 ZINC000055153704 558874489 /nfs/dbraw/zinc/87/44/89/558874489.db2.gz NDZGWJRVDWZHPQ-UHFFFAOYSA-N 1 2 413.468 4.649 50 0 HJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)[nH+]1 ZINC000072119156 558927882 /nfs/dbraw/zinc/92/78/82/558927882.db2.gz IGECZIIWEVYSNN-UHFFFAOYSA-N 1 2 406.465 4.912 50 0 HJAALO COCC[C@@H]1C[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CCO1 ZINC000072410795 558977825 /nfs/dbraw/zinc/97/78/25/558977825.db2.gz NGTFHLSXBHIGTA-JOCHJYFZSA-N 1 2 408.498 4.680 50 0 HJAALO COCC[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CCO1 ZINC000072410795 558977828 /nfs/dbraw/zinc/97/78/28/558977828.db2.gz NGTFHLSXBHIGTA-JOCHJYFZSA-N 1 2 408.498 4.680 50 0 HJAALO Cc1nc(N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)cc(C(C)C)[nH+]1 ZINC000067772474 558992602 /nfs/dbraw/zinc/99/26/02/558992602.db2.gz CUSDHPSAYJDCNO-UHFFFAOYSA-N 1 2 407.480 4.749 50 0 HJAALO COc1cc(Br)c(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000098081565 559064792 /nfs/dbraw/zinc/06/47/92/559064792.db2.gz RCOZMVOXYMJABW-LJQANCHMSA-N 1 2 418.335 4.830 50 0 HJAALO O=C(c1c(F)cccc1F)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023324825 559150042 /nfs/dbraw/zinc/15/00/42/559150042.db2.gz PXWCPSDZORXINN-QHCPKHFHSA-N 1 2 410.439 4.651 50 0 HJAALO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC[NH2+]CS(=O)(=O)c2ccc(F)cc2)C1(C)C ZINC000033434064 559191877 /nfs/dbraw/zinc/19/18/77/559191877.db2.gz KYMABHKBLRJVOF-DENIHFKCSA-N 1 2 414.546 4.766 50 0 HJAALO Cc1[nH+]c2ccccc2n1CCC(=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000005209022 560538830 /nfs/dbraw/zinc/53/88/30/560538830.db2.gz MIYKECYXFOGRGY-HXUWFJFHSA-N 1 2 405.473 4.805 50 0 HJAALO C[C@H](c1nnc(SCCOc2ccc(F)cc2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000005280897 560562579 /nfs/dbraw/zinc/56/25/79/560562579.db2.gz OJSBZTRWZUPNAR-CQSZACIVSA-N 1 2 420.941 4.854 50 0 HJAALO O=C(C[NH+]1CCCCC1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(F)cc1 ZINC000005451672 560589198 /nfs/dbraw/zinc/58/91/98/560589198.db2.gz GELMYCQEHHTEHE-UHFFFAOYSA-N 1 2 414.864 4.677 50 0 HJAALO C[C@H]1CCC[N@@H+]([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000022852561 568415587 /nfs/dbraw/zinc/41/55/87/568415587.db2.gz RMHJLCAYZVGRSG-WFASDCNBSA-N 1 2 400.529 4.639 50 0 HJAALO C[C@H]1CCC[N@H+]([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000022852561 568415588 /nfs/dbraw/zinc/41/55/88/568415588.db2.gz RMHJLCAYZVGRSG-WFASDCNBSA-N 1 2 400.529 4.639 50 0 HJAALO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000022852566 568415593 /nfs/dbraw/zinc/41/55/93/568415593.db2.gz VQMBSNMKVCWORP-IOASZLSFSA-N 1 2 414.556 4.885 50 0 HJAALO Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCc5ccccc5C4)[nH+]c3)cc2c1 ZINC000048301966 568437557 /nfs/dbraw/zinc/43/75/57/568437557.db2.gz YOMBZLPFUXHPEH-UHFFFAOYSA-N 1 2 422.532 4.739 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)CCn2nc(C)cc2C)cc1 ZINC000033252627 568511965 /nfs/dbraw/zinc/51/19/65/568511965.db2.gz AKQAPUJOHGUFBW-UHFFFAOYSA-N 1 2 415.541 4.684 50 0 HJAALO CC[C@@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000021159574 568674505 /nfs/dbraw/zinc/67/45/05/568674505.db2.gz SFIGMQCABAKRGX-HXUWFJFHSA-N 1 2 418.585 4.833 50 0 HJAALO CC[C@H](C)c1nc(N2CCN(C(=O)C3CCC3)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317299 568726549 /nfs/dbraw/zinc/72/65/49/568726549.db2.gz XWHAOEKPMXSEFV-IBGZPJMESA-N 1 2 420.601 4.646 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cc(C)cc(C)c4)C3)no2)cc1 ZINC000021724866 568751532 /nfs/dbraw/zinc/75/15/32/568751532.db2.gz HGVWMLIRXSPGSL-HXUWFJFHSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4cc(C)cc(C)c4)C3)no2)cc1 ZINC000021724866 568751534 /nfs/dbraw/zinc/75/15/34/568751534.db2.gz HGVWMLIRXSPGSL-HXUWFJFHSA-N 1 2 404.514 4.513 50 0 HJAALO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012541216 568848327 /nfs/dbraw/zinc/84/83/27/568848327.db2.gz VFBGBPQESIHMFG-KPZWWZAWSA-N 1 2 422.287 4.539 50 0 HJAALO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012549657 568852065 /nfs/dbraw/zinc/85/20/65/568852065.db2.gz DBVPDFWZAJRLKU-XIKOKIGWSA-N 1 2 422.287 4.539 50 0 HJAALO CCc1ccccc1Nc1nc(N)nc(C[NH2+]C(c2ccccc2)c2ccccc2)n1 ZINC000012558138 568856468 /nfs/dbraw/zinc/85/64/68/568856468.db2.gz QSBCWESLEAEZTD-UHFFFAOYSA-N 1 2 410.525 4.639 50 0 HJAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057851666 568863455 /nfs/dbraw/zinc/86/34/55/568863455.db2.gz DNZBQQRNHBAHEI-ZDUSSCGKSA-N 1 2 412.748 4.796 50 0 HJAALO COc1ccc([C@H](NC(=O)c2oc3ccccc3c2CSC)c2[nH+]ccn2C)cc1 ZINC000012602204 568870192 /nfs/dbraw/zinc/87/01/92/568870192.db2.gz XUMLEGJNVUNQOR-FQEVSTJZSA-N 1 2 421.522 4.557 50 0 HJAALO CC(C)Cc1ccc([C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000012753630 568941908 /nfs/dbraw/zinc/94/19/08/568941908.db2.gz JIOAVXZTVSBXJF-HSZRJFAPSA-N 1 2 403.555 4.802 50 0 HJAALO CC(C)Cc1ccc([C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000012753635 568941925 /nfs/dbraw/zinc/94/19/25/568941925.db2.gz JIOAVXZTVSBXJF-QHCPKHFHSA-N 1 2 403.555 4.802 50 0 HJAALO CC[N@@H+](Cc1ccc(OC)c(F)c1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000012761609 568945739 /nfs/dbraw/zinc/94/57/39/568945739.db2.gz XMAIPSMQZWHILB-UHFFFAOYSA-N 1 2 423.513 4.821 50 0 HJAALO CC[N@H+](Cc1ccc(OC)c(F)c1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000012761609 568945740 /nfs/dbraw/zinc/94/57/40/568945740.db2.gz XMAIPSMQZWHILB-UHFFFAOYSA-N 1 2 423.513 4.821 50 0 HJAALO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000008189821 568981057 /nfs/dbraw/zinc/98/10/57/568981057.db2.gz OUWQJZDNHBVRGG-SFHVURJKSA-N 1 2 413.543 4.758 50 0 HJAALO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000008189821 568981058 /nfs/dbraw/zinc/98/10/58/568981058.db2.gz OUWQJZDNHBVRGG-SFHVURJKSA-N 1 2 413.543 4.758 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3ccc(OC)cc3)n(C)c2=S)cc1 ZINC000008189865 568981066 /nfs/dbraw/zinc/98/10/66/568981066.db2.gz ZLNNATZIJWAGIJ-OAQYLSRUSA-N 1 2 424.570 4.820 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3ccc(OC)cc3)n(C)c2=S)cc1 ZINC000008189865 568981067 /nfs/dbraw/zinc/98/10/67/568981067.db2.gz ZLNNATZIJWAGIJ-OAQYLSRUSA-N 1 2 424.570 4.820 50 0 HJAALO Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc(C(F)(F)F)c2)CCC[N@@H+](C)C1 ZINC000085393386 568984948 /nfs/dbraw/zinc/98/49/48/568984948.db2.gz PEIZTUXPWGZOKZ-UHFFFAOYSA-N 1 2 422.472 4.584 50 0 HJAALO Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc(C(F)(F)F)c2)CCC[N@H+](C)C1 ZINC000085393386 568984951 /nfs/dbraw/zinc/98/49/51/568984951.db2.gz PEIZTUXPWGZOKZ-UHFFFAOYSA-N 1 2 422.472 4.584 50 0 HJAALO CCC1CCC2(CC1)NC(=O)N(C[N@H+](C)C(c1ccccc1)c1ccccc1)C2=O ZINC000012819253 568990888 /nfs/dbraw/zinc/99/08/88/568990888.db2.gz ABSKSODNPKWCPJ-UHFFFAOYSA-N 1 2 405.542 4.556 50 0 HJAALO CCC1CCC2(CC1)NC(=O)N(C[N@@H+](C)C(c1ccccc1)c1ccccc1)C2=O ZINC000012819253 568990889 /nfs/dbraw/zinc/99/08/89/568990889.db2.gz ABSKSODNPKWCPJ-UHFFFAOYSA-N 1 2 405.542 4.556 50 0 HJAALO CCC[N@H+](CC(=O)Nc1cccc(Cl)c1C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000006085378 568997517 /nfs/dbraw/zinc/99/75/17/568997517.db2.gz GKMOZZIGDGBVRJ-HNNXBMFYSA-N 1 2 422.356 4.980 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000006085378 568997520 /nfs/dbraw/zinc/99/75/20/568997520.db2.gz GKMOZZIGDGBVRJ-HNNXBMFYSA-N 1 2 422.356 4.980 50 0 HJAALO COc1ccc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)[nH+]c3c2)c(OC)c1 ZINC000015863846 569016281 /nfs/dbraw/zinc/01/62/81/569016281.db2.gz QUAPICDPCHXMMN-UHFFFAOYSA-N 1 2 401.466 4.618 50 0 HJAALO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012888408 569019718 /nfs/dbraw/zinc/01/97/18/569019718.db2.gz KNMFLNVAULQXCS-GFCCVEGCSA-N 1 2 404.333 4.518 50 0 HJAALO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012888408 569019719 /nfs/dbraw/zinc/01/97/19/569019719.db2.gz KNMFLNVAULQXCS-GFCCVEGCSA-N 1 2 404.333 4.518 50 0 HJAALO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600914 569046149 /nfs/dbraw/zinc/04/61/49/569046149.db2.gz UTSWMUVKQRJNRT-AEFFLSMTSA-N 1 2 406.448 4.867 50 0 HJAALO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600914 569046150 /nfs/dbraw/zinc/04/61/50/569046150.db2.gz UTSWMUVKQRJNRT-AEFFLSMTSA-N 1 2 406.448 4.867 50 0 HJAALO COc1ccc([C@H](NC(=O)c2sc3ccccc3c2Cl)c2[nH+]ccn2C)cc1 ZINC000016472909 569053405 /nfs/dbraw/zinc/05/34/05/569053405.db2.gz FAMWPMZVLJVRIN-SFHVURJKSA-N 1 2 411.914 4.816 50 0 HJAALO Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C(C)C)CC4)cc1Cl ZINC000006737129 569104764 /nfs/dbraw/zinc/10/47/64/569104764.db2.gz NOMFIDOYJDYJBG-UHFFFAOYSA-N 1 2 414.962 4.859 50 0 HJAALO Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C(C)C)CC4)cc1Cl ZINC000006737129 569104766 /nfs/dbraw/zinc/10/47/66/569104766.db2.gz NOMFIDOYJDYJBG-UHFFFAOYSA-N 1 2 414.962 4.859 50 0 HJAALO Cc1[nH+]c(SCc2ccc(C(=O)N(C)Cc3ccccc3)cc2)nc(N(C)C)c1C ZINC000006765298 569114474 /nfs/dbraw/zinc/11/44/74/569114474.db2.gz JOHBEULIEQZSDO-UHFFFAOYSA-N 1 2 420.582 4.724 50 0 HJAALO Cc1ccc(CN2CN(Cc3ccccc3)Cc3c(-c4ccccc4)[nH+]c(N)n32)cc1 ZINC000169681381 569127341 /nfs/dbraw/zinc/12/73/41/569127341.db2.gz BGFPWXNUVDOPNM-UHFFFAOYSA-N 1 2 409.537 4.552 50 0 HJAALO CCOc1ccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)cc1 ZINC000065260064 569210829 /nfs/dbraw/zinc/21/08/29/569210829.db2.gz SYWBCSIRRVXMDD-RUZDIDTESA-N 1 2 420.557 4.604 50 0 HJAALO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000037228426 569240804 /nfs/dbraw/zinc/24/08/04/569240804.db2.gz DLGXXWZIACVXJP-RUZDIDTESA-N 1 2 411.505 4.620 50 0 HJAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)c(Cl)c1 ZINC000013322889 569254906 /nfs/dbraw/zinc/25/49/06/569254906.db2.gz TYLCIDHRBBWHAP-UHFFFAOYSA-N 1 2 401.938 4.785 50 0 HJAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)[nH+]1 ZINC000017013441 569271548 /nfs/dbraw/zinc/27/15/48/569271548.db2.gz LZXHZQXEIYLDJI-UHFFFAOYSA-N 1 2 415.419 4.866 50 0 HJAALO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252511829 569291889 /nfs/dbraw/zinc/29/18/89/569291889.db2.gz LBOHRAKBQWXCHD-XLIONFOSSA-N 1 2 407.272 4.878 50 0 HJAALO C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252511829 569291891 /nfs/dbraw/zinc/29/18/91/569291891.db2.gz LBOHRAKBQWXCHD-XLIONFOSSA-N 1 2 407.272 4.878 50 0 HJAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007647453 569298421 /nfs/dbraw/zinc/29/84/21/569298421.db2.gz BQHUANUPXPZHSK-XMMPIXPASA-N 1 2 406.526 4.882 50 0 HJAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007647453 569298422 /nfs/dbraw/zinc/29/84/22/569298422.db2.gz BQHUANUPXPZHSK-XMMPIXPASA-N 1 2 406.526 4.882 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000007717211 569301942 /nfs/dbraw/zinc/30/19/42/569301942.db2.gz HIDIHJCYNFVOPA-SFHVURJKSA-N 1 2 409.313 4.786 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000007717211 569301943 /nfs/dbraw/zinc/30/19/43/569301943.db2.gz HIDIHJCYNFVOPA-SFHVURJKSA-N 1 2 409.313 4.786 50 0 HJAALO Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc4[nH]c(C(C)(C)C)[nH+]c4c3)cc2)co1 ZINC000079052771 569425671 /nfs/dbraw/zinc/42/56/71/569425671.db2.gz HQIFNICHLIUXCY-UHFFFAOYSA-N 1 2 410.499 4.625 50 0 HJAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1ccccc1Cl)N1CCOCC1 ZINC000067288371 571066168 /nfs/dbraw/zinc/06/61/68/571066168.db2.gz GZZWUNYHIAYIRG-UHFFFAOYSA-N 1 2 416.308 4.626 50 0 HJAALO C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040068790 571149007 /nfs/dbraw/zinc/14/90/07/571149007.db2.gz DDGVZXWMBLPWIZ-OAHLLOKOSA-N 1 2 402.420 4.794 50 0 HJAALO CCN(CC)c1ccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c[nH+]1 ZINC000040121164 571177211 /nfs/dbraw/zinc/17/72/11/571177211.db2.gz OCMWMGXEGJJGIO-UHFFFAOYSA-N 1 2 409.465 4.576 50 0 HJAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1c(-c2ccc(F)cc2)nc2cc(C)ccn21 ZINC000040130982 571183062 /nfs/dbraw/zinc/18/30/62/571183062.db2.gz OEXKYVUVNWQBKA-UHFFFAOYSA-N 1 2 413.456 4.746 50 0 HJAALO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(-n4cc[nH]c4=S)cc3)CC2)cc1 ZINC000040143836 571194382 /nfs/dbraw/zinc/19/43/82/571194382.db2.gz KGTXGXMPPUATLY-UHFFFAOYSA-N 1 2 420.582 4.616 50 0 HJAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000244969040 571210898 /nfs/dbraw/zinc/21/08/98/571210898.db2.gz GVOWUEGOFKGQQJ-IBGZPJMESA-N 1 2 418.990 4.651 50 0 HJAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)ccc1N1CCCC1 ZINC000009117990 571224598 /nfs/dbraw/zinc/22/45/98/571224598.db2.gz IBMHHVOAVMNPMH-NRFANRHFSA-N 1 2 420.582 4.981 50 0 HJAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)ccc1N1CCCC1 ZINC000009117990 571224602 /nfs/dbraw/zinc/22/46/02/571224602.db2.gz IBMHHVOAVMNPMH-NRFANRHFSA-N 1 2 420.582 4.981 50 0 HJAALO COc1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C)oc1ccccc12 ZINC000009442041 571259174 /nfs/dbraw/zinc/25/91/74/571259174.db2.gz PKXJTLCROSDNBK-HXUWFJFHSA-N 1 2 403.482 4.709 50 0 HJAALO COc1cc2c(cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C)oc1ccccc12 ZINC000009442041 571259176 /nfs/dbraw/zinc/25/91/76/571259176.db2.gz PKXJTLCROSDNBK-HXUWFJFHSA-N 1 2 403.482 4.709 50 0 HJAALO c1ccc(-n2c(C[NH+]3CCCC3)nnc2SCc2nc3ccccc3s2)cc1 ZINC000009871925 571289111 /nfs/dbraw/zinc/28/91/11/571289111.db2.gz VKBFCDOYZMSQPB-UHFFFAOYSA-N 1 2 407.568 4.765 50 0 HJAALO Cc1ccc(C)c(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000006838999 132318457 /nfs/dbraw/zinc/31/84/57/132318457.db2.gz MFBIFGSRPNWUKZ-UHFFFAOYSA-N 1 2 420.601 4.530 50 0 HJAALO CCc1c(C)[nH+]c(-c2cccc(C)c2)nc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000006838302 132318475 /nfs/dbraw/zinc/31/84/75/132318475.db2.gz NSRDNWIOMQDKLS-UHFFFAOYSA-N 1 2 414.553 4.594 50 0 HJAALO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc12 ZINC000006913315 132320446 /nfs/dbraw/zinc/32/04/46/132320446.db2.gz GAVQZTJNQGXPES-UHFFFAOYSA-N 1 2 424.548 4.664 50 0 HJAALO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000032744449 518842152 /nfs/dbraw/zinc/84/21/52/518842152.db2.gz ALEUXJCAKJRANJ-JXMROGBWSA-N 1 2 421.541 4.505 50 0 HJAALO CC[N@H+](CCCNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccccc1 ZINC000032902658 521022943 /nfs/dbraw/zinc/02/29/43/521022943.db2.gz SPWKLIBYDHORRT-UHFFFAOYSA-N 1 2 416.447 4.538 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccccc1 ZINC000032902658 521022951 /nfs/dbraw/zinc/02/29/51/521022951.db2.gz SPWKLIBYDHORRT-UHFFFAOYSA-N 1 2 416.447 4.538 50 0 HJAALO CCOC(=O)[C@@H]1CCC[N@H+](Cn2c3ccccc3n(-c3ccc(C)cc3)c2=S)C1 ZINC000025460177 521118830 /nfs/dbraw/zinc/11/88/30/521118830.db2.gz OTXPMFYYIRSBBR-GOSISDBHSA-N 1 2 409.555 4.703 50 0 HJAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cn2c3ccccc3n(-c3ccc(C)cc3)c2=S)C1 ZINC000025460177 521118840 /nfs/dbraw/zinc/11/88/40/521118840.db2.gz OTXPMFYYIRSBBR-GOSISDBHSA-N 1 2 409.555 4.703 50 0 HJAALO Cc1ccc(SCCNC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000032802267 525657430 /nfs/dbraw/zinc/65/74/30/525657430.db2.gz VQNMSJWZXKYULA-IBGZPJMESA-N 1 2 414.962 4.563 50 0 HJAALO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000032797302 526040190 /nfs/dbraw/zinc/04/01/90/526040190.db2.gz PAHXTRRHRMARAH-MRXNPFEDSA-N 1 2 423.517 4.635 50 0 HJAALO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000032797302 526040197 /nfs/dbraw/zinc/04/01/97/526040197.db2.gz PAHXTRRHRMARAH-MRXNPFEDSA-N 1 2 423.517 4.635 50 0 HJAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)CSc4ccncc4)cc3)[nH+]c2c1 ZINC000032960968 526098437 /nfs/dbraw/zinc/09/84/37/526098437.db2.gz CMDJMZQNPFKRDY-UHFFFAOYSA-N 1 2 402.523 4.782 50 0 HJAALO C[C@H](c1nnc(S[C@@H](C)c2nc(C(C)(C)C)no2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000044089195 526190437 /nfs/dbraw/zinc/19/04/37/526190437.db2.gz RWBIHNNLVWJSCX-OLZOCXBDSA-N 1 2 418.542 4.563 50 0 HJAALO O=C(Nc1ccc(F)cc1)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000034668408 557361974 /nfs/dbraw/zinc/36/19/74/557361974.db2.gz GGTMFCKSMYORTR-UHFFFAOYSA-N 1 2 407.464 4.539 50 0 HJAALO CNC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc2oc3ccccc3c2c1 ZINC000004625770 557574032 /nfs/dbraw/zinc/57/40/32/557574032.db2.gz MIWZTLXVWVAEIK-HSZRJFAPSA-N 1 2 408.461 4.971 50 0 HJAALO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)ccc1O ZINC000004733934 557588856 /nfs/dbraw/zinc/58/88/56/557588856.db2.gz SFCXFZCZBLZQHJ-UHFFFAOYSA-N 1 2 409.829 4.841 50 0 aggregator HJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(O)cc2)cc1 ZINC000004735676 557589183 /nfs/dbraw/zinc/58/91/83/557589183.db2.gz TZIJLPMXDALJIU-HSZRJFAPSA-N 1 2 410.477 4.978 50 0 HJAALO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC000019743629 558264228 /nfs/dbraw/zinc/26/42/28/558264228.db2.gz POJKAUZZNUEHTR-ZDUSSCGKSA-N 1 2 410.008 4.679 50 0 HJAALO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC000019743629 558264232 /nfs/dbraw/zinc/26/42/32/558264232.db2.gz POJKAUZZNUEHTR-ZDUSSCGKSA-N 1 2 410.008 4.679 50 0 HJAALO O=C([C@H](Sc1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019791403 558282790 /nfs/dbraw/zinc/28/27/90/558282790.db2.gz JLDSCBGMMWJKRU-XMMPIXPASA-N 1 2 402.563 4.864 50 0 HJAALO C[C@@](O)(COc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1)CCO2 ZINC000011880241 558294701 /nfs/dbraw/zinc/29/47/01/558294701.db2.gz CNHITAABIKQMMM-RUZDIDTESA-N 1 2 407.485 4.507 50 0 HJAALO C[C@@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)CCO2 ZINC000011880241 558294703 /nfs/dbraw/zinc/29/47/03/558294703.db2.gz CNHITAABIKQMMM-RUZDIDTESA-N 1 2 407.485 4.507 50 0 HJAALO CC(C)[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C1 ZINC000019874724 558299967 /nfs/dbraw/zinc/29/99/67/558299967.db2.gz VKLNMQGQQIOKJD-UHFFFAOYSA-N 1 2 400.935 4.551 50 0 HJAALO CC(C)[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C1 ZINC000019874724 558299970 /nfs/dbraw/zinc/29/99/70/558299970.db2.gz VKLNMQGQQIOKJD-UHFFFAOYSA-N 1 2 400.935 4.551 50 0 HJAALO O=C(c1sc2cc(Cl)ccc2c1Cl)N1CC[NH+](CCc2ccccn2)CC1 ZINC000019901954 558305420 /nfs/dbraw/zinc/30/54/20/558305420.db2.gz HBWCPZLSYAMRLN-UHFFFAOYSA-N 1 2 420.365 4.604 50 0 HJAALO COc1ccc([C@@H](NC(=O)c2cc3c(s2)CCCCCC3)c2[nH+]ccn2C)cc1 ZINC000022471119 558491577 /nfs/dbraw/zinc/49/15/77/558491577.db2.gz PYJYPTRNPUZPBQ-OAQYLSRUSA-N 1 2 409.555 4.669 50 0 HJAALO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000013038677 558505675 /nfs/dbraw/zinc/50/56/75/558505675.db2.gz RAGGITKXIJGNOZ-SFHVURJKSA-N 1 2 419.491 4.780 50 0 HJAALO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000013038676 558505682 /nfs/dbraw/zinc/50/56/82/558505682.db2.gz RAGGITKXIJGNOZ-GOSISDBHSA-N 1 2 419.491 4.780 50 0 HJAALO Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)n2)c(C)c1 ZINC000022795593 558512264 /nfs/dbraw/zinc/51/22/64/558512264.db2.gz IODIAWHZAAPAGY-UHFFFAOYSA-N 1 2 421.566 4.820 50 0 HJAALO C[N@@H+]1CCc2nc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)sc2C1 ZINC000023607987 558563625 /nfs/dbraw/zinc/56/36/25/558563625.db2.gz PWSMNXLENKDCLK-UHFFFAOYSA-N 1 2 413.930 4.616 50 0 HJAALO C[N@H+]1CCc2nc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)sc2C1 ZINC000023607987 558563629 /nfs/dbraw/zinc/56/36/29/558563629.db2.gz PWSMNXLENKDCLK-UHFFFAOYSA-N 1 2 413.930 4.616 50 0 HJAALO C[N@@H+](Cc1ccc2ccccc2c1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000023956938 558582609 /nfs/dbraw/zinc/58/26/09/558582609.db2.gz DLHSKXXPWZQDHB-MHZLTWQESA-N 1 2 423.516 4.850 50 0 HJAALO C[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000023956938 558582612 /nfs/dbraw/zinc/58/26/12/558582612.db2.gz DLHSKXXPWZQDHB-MHZLTWQESA-N 1 2 423.516 4.850 50 0 HJAALO Cc1ccc(OCCSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1 ZINC000004500384 558612605 /nfs/dbraw/zinc/61/26/05/558612605.db2.gz RAOBZLLFXRHIKC-MRXNPFEDSA-N 1 2 400.523 4.509 50 0 HJAALO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000024986600 558625023 /nfs/dbraw/zinc/62/50/23/558625023.db2.gz LBCGGRACBSACHX-UHFFFAOYSA-N 1 2 410.543 4.520 50 0 HJAALO Cn1c(CSc2nc3ccccc3s2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000014238589 558642600 /nfs/dbraw/zinc/64/26/00/558642600.db2.gz LUHFSQCXBSZTAV-UHFFFAOYSA-N 1 2 405.618 4.685 50 0 HJAALO Cn1c(CSc2nc3ccccc3s2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000014238589 558642604 /nfs/dbraw/zinc/64/26/04/558642604.db2.gz LUHFSQCXBSZTAV-UHFFFAOYSA-N 1 2 405.618 4.685 50 0 HJAALO COc1ccc(C(=O)C2CC[NH+](Cc3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1 ZINC000014809383 558673676 /nfs/dbraw/zinc/67/36/76/558673676.db2.gz XRLVQCFFZWLZLR-UHFFFAOYSA-N 1 2 423.944 4.938 50 0 HJAALO O=C(c1sc2cc(Cl)ccc2c1Cl)N1CC[NH+](CCc2ccncc2)CC1 ZINC000027663203 558678604 /nfs/dbraw/zinc/67/86/04/558678604.db2.gz BVALJHSTRAOIJH-UHFFFAOYSA-N 1 2 420.365 4.604 50 0 HJAALO Cc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028288646 558695536 /nfs/dbraw/zinc/69/55/36/558695536.db2.gz FNMBDAOGANIHBL-HXUWFJFHSA-N 1 2 424.928 4.712 50 0 HJAALO CCc1ccc2oc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028289828 558696505 /nfs/dbraw/zinc/69/65/05/558696505.db2.gz SNEZSWJAPSURSX-HXUWFJFHSA-N 1 2 424.928 4.576 50 0 HJAALO Cc1c[nH]c(CN(C)C(=O)c2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)[nH+]1 ZINC000015076825 558716869 /nfs/dbraw/zinc/71/68/69/558716869.db2.gz GWKWWXOJZIXWKR-UHFFFAOYSA-N 1 2 414.387 4.817 50 0 HJAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000030012630 558725933 /nfs/dbraw/zinc/72/59/33/558725933.db2.gz XGBUVIIHBUPZAO-UHFFFAOYSA-N 1 2 424.504 4.934 50 0 HJAALO Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)o1 ZINC000015309976 558731599 /nfs/dbraw/zinc/73/15/99/558731599.db2.gz RKRXBGGJOGTQMD-SFHVURJKSA-N 1 2 411.889 4.888 50 0 HJAALO Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)o1 ZINC000015309976 558731600 /nfs/dbraw/zinc/73/16/00/558731600.db2.gz RKRXBGGJOGTQMD-SFHVURJKSA-N 1 2 411.889 4.888 50 0 HJAALO CC1CC[NH+](Cc2csc(NC(=O)COc3cc(Cl)ccc3Cl)n2)CC1 ZINC000015583675 558744907 /nfs/dbraw/zinc/74/49/07/558744907.db2.gz GBOFBICHYWKNTE-UHFFFAOYSA-N 1 2 414.358 4.699 50 0 HJAALO COc1ccc(CCC(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)cc1 ZINC000033019810 558836525 /nfs/dbraw/zinc/83/65/25/558836525.db2.gz HINPSCGMXUUMME-UHFFFAOYSA-N 1 2 413.521 4.938 50 0 HJAALO c1ccc(-c2ccc(Cc3nn4c(C[NH+]5CCCCCC5)nnc4s3)cc2)cc1 ZINC000057524616 558889020 /nfs/dbraw/zinc/88/90/20/558889020.db2.gz ZSWXAMUIPMNTKN-UHFFFAOYSA-N 1 2 403.555 4.820 50 0 HJAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000058014249 558895213 /nfs/dbraw/zinc/89/52/13/558895213.db2.gz PWSXXFWOKAKSBG-IBGZPJMESA-N 1 2 403.958 4.763 50 0 HJAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058019935 558895921 /nfs/dbraw/zinc/89/59/21/558895921.db2.gz DLKSBLKRMAGDKX-AWEZNQCLSA-N 1 2 403.313 4.927 50 0 HJAALO Cn1c(CCc2cccc(NC(=O)c3ccc(Br)o3)c2)[nH+]c2ccccc21 ZINC000033261451 558930837 /nfs/dbraw/zinc/93/08/37/558930837.db2.gz WOKRJVYRFQQCPA-UHFFFAOYSA-N 1 2 424.298 4.966 50 0 HJAALO Cc1ccc(F)cc1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023321273 559126116 /nfs/dbraw/zinc/12/61/16/559126116.db2.gz GPCSLMJAVNCDBP-DEOSSOPVSA-N 1 2 406.476 4.821 50 0 HJAALO O=C(c1c(F)cccc1F)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023324829 559149983 /nfs/dbraw/zinc/14/99/83/559149983.db2.gz PXWCPSDZORXINN-HSZRJFAPSA-N 1 2 410.439 4.651 50 0 HJAALO CC(C)[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1F ZINC000004918150 559204536 /nfs/dbraw/zinc/20/45/36/559204536.db2.gz ABCFUFFZWNALRZ-NRFANRHFSA-N 1 2 406.954 4.964 50 0 HJAALO CC(C)[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1F ZINC000004918150 559204537 /nfs/dbraw/zinc/20/45/37/559204537.db2.gz ABCFUFFZWNALRZ-NRFANRHFSA-N 1 2 406.954 4.964 50 0 HJAALO Cc1cccc(-c2nnc(SCc3cn4ccccc4[nH+]3)n2Cc2ccco2)c1 ZINC000005174100 559288326 /nfs/dbraw/zinc/28/83/26/559288326.db2.gz RGBWWGVZVXFYBK-UHFFFAOYSA-N 1 2 401.495 4.835 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000005499479 560598267 /nfs/dbraw/zinc/59/82/67/560598267.db2.gz OJLZJCXREJLECP-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO COc1cccc([C@H](Nc2nc(-c3cccnc3)nc3ccccc32)c2[nH+]ccn2C)c1 ZINC000017591162 560720056 /nfs/dbraw/zinc/72/00/56/560720056.db2.gz JNVDWRNYBABBKB-QFIPXVFZSA-N 1 2 422.492 4.635 50 0 HJAALO CC(C)[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000048235011 568432732 /nfs/dbraw/zinc/43/27/32/568432732.db2.gz QOAVQKADLCZASQ-HXUWFJFHSA-N 1 2 417.538 4.595 50 0 HJAALO Cc1c(Cl)cccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cccs1 ZINC000020107784 568588280 /nfs/dbraw/zinc/58/82/80/568588280.db2.gz HAFPAPPCAQUJJB-UHFFFAOYSA-N 1 2 424.035 4.631 50 0 HJAALO O[C@@H](C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000020218771 568594947 /nfs/dbraw/zinc/59/49/47/568594947.db2.gz KOVGKDUYQCEDNO-DEOSSOPVSA-N 1 2 406.957 4.781 50 0 HJAALO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000095350585 568601056 /nfs/dbraw/zinc/60/10/56/568601056.db2.gz OOJVYNZDMWIELO-GOSISDBHSA-N 1 2 423.557 4.700 50 0 HJAALO CC[N@H+](CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)c1cccc(C)c1 ZINC000020485005 568612892 /nfs/dbraw/zinc/61/28/92/568612892.db2.gz TUKVXSHMKMBZLD-UHFFFAOYSA-N 1 2 420.582 4.648 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)c1cccc(C)c1 ZINC000020485005 568612894 /nfs/dbraw/zinc/61/28/94/568612894.db2.gz TUKVXSHMKMBZLD-UHFFFAOYSA-N 1 2 420.582 4.648 50 0 HJAALO Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000021159352 568674501 /nfs/dbraw/zinc/67/45/01/568674501.db2.gz ONHUDYMHRKEEAL-UHFFFAOYSA-N 1 2 418.585 4.772 50 0 HJAALO Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)cc1F ZINC000021357291 568688243 /nfs/dbraw/zinc/68/82/43/568688243.db2.gz JYDYHXWFYPFRAF-UHFFFAOYSA-N 1 2 409.486 4.596 50 0 HJAALO Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000021357430 568688306 /nfs/dbraw/zinc/68/83/06/568688306.db2.gz FVABYLUVQGUKEI-UHFFFAOYSA-N 1 2 423.513 4.607 50 0 HJAALO Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000021366917 568690839 /nfs/dbraw/zinc/69/08/39/568690839.db2.gz OQIVHSVICBDHJS-HSZRJFAPSA-N 1 2 414.484 4.787 50 0 HJAALO CC[C@@H](C)c1nc(N2CCN(C(=O)C(C)C)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317464 568726933 /nfs/dbraw/zinc/72/69/33/568726933.db2.gz WKBZGMUXGLHBGQ-LJQANCHMSA-N 1 2 408.590 4.502 50 0 HJAALO CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc([NH+](C)C)cc1 ZINC000000951952 568757283 /nfs/dbraw/zinc/75/72/83/568757283.db2.gz WKIPZLYDHNZUKE-UHFFFAOYSA-N 1 2 414.303 4.984 50 0 HJAALO Cc1noc(C)c1CSc1ccccc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000012537160 568845850 /nfs/dbraw/zinc/84/58/50/568845850.db2.gz XKDYBPFDVMNHCP-UHFFFAOYSA-N 1 2 420.538 4.672 50 0 HJAALO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012541232 568848292 /nfs/dbraw/zinc/84/82/92/568848292.db2.gz CWRJEIOYJBKPOB-AWEZNQCLSA-N 1 2 406.486 4.934 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000012548212 568851338 /nfs/dbraw/zinc/85/13/38/568851338.db2.gz IQDHDDYIMKAGIV-QFIPXVFZSA-N 1 2 406.917 4.783 50 0 HJAALO Cc1ccc(-n2c(SCc3cn4c(cccc4C)[nH+]3)nnc2-c2ccncc2)cc1 ZINC000012552140 568853994 /nfs/dbraw/zinc/85/39/94/568853994.db2.gz IZJXNXQUOZICLF-UHFFFAOYSA-N 1 2 412.522 4.886 50 0 HJAALO Cc1ccc2[nH+]c(CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)cn2c1 ZINC000012575588 568862352 /nfs/dbraw/zinc/86/23/52/568862352.db2.gz WQAQXIDKLPENMS-IBGZPJMESA-N 1 2 423.517 4.512 50 0 HJAALO CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000003267100 568870014 /nfs/dbraw/zinc/87/00/14/568870014.db2.gz KAXHQECRZWYFJB-UHFFFAOYSA-N 1 2 406.573 4.632 50 0 HJAALO COc1ccccc1[C@@H](NC(=O)c1oc2c(cccc2Cl)c1C)c1[nH+]ccn1C ZINC000012602008 568870211 /nfs/dbraw/zinc/87/02/11/568870211.db2.gz DDVRQBNNWJHXDD-GOSISDBHSA-N 1 2 409.873 4.656 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000003273715 568870809 /nfs/dbraw/zinc/87/08/09/568870809.db2.gz JPDGDGZIYAAGLC-UHFFFAOYSA-N 1 2 417.456 4.973 50 0 HJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000003273715 568870811 /nfs/dbraw/zinc/87/08/11/568870811.db2.gz JPDGDGZIYAAGLC-UHFFFAOYSA-N 1 2 417.456 4.973 50 0 HJAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)C1 ZINC000030581014 568873222 /nfs/dbraw/zinc/87/32/22/568873222.db2.gz ZKCIQTZPYGSLNL-INIZCTEOSA-N 1 2 421.570 4.690 50 0 HJAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)C1 ZINC000030581014 568873225 /nfs/dbraw/zinc/87/32/25/568873225.db2.gz ZKCIQTZPYGSLNL-INIZCTEOSA-N 1 2 421.570 4.690 50 0 HJAALO Cc1[nH]c2ccccc2c1C1CC[NH+](Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000058166522 568895259 /nfs/dbraw/zinc/89/52/59/568895259.db2.gz UODJYVSSWBAXGL-UHFFFAOYSA-N 1 2 418.570 4.640 50 0 HJAALO CCOC(=O)c1c2cc(O)c(Br)cc2n(C2CCCCC2)c1C[NH+](C)C ZINC000001428625 568939490 /nfs/dbraw/zinc/93/94/90/568939490.db2.gz OPUSGSKJDRALLT-UHFFFAOYSA-N 1 2 423.351 4.853 50 0 HJAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)c(OC)c1 ZINC000012773068 568952577 /nfs/dbraw/zinc/95/25/77/568952577.db2.gz TUDCCDQDTSKGTK-HXUWFJFHSA-N 1 2 424.570 4.738 50 0 HJAALO COc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)c(OC)c1 ZINC000012773068 568952578 /nfs/dbraw/zinc/95/25/78/568952578.db2.gz TUDCCDQDTSKGTK-HXUWFJFHSA-N 1 2 424.570 4.738 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000008118058 568974421 /nfs/dbraw/zinc/97/44/21/568974421.db2.gz KVEDPIZIKKEBTH-GOSISDBHSA-N 1 2 408.716 4.829 50 0 HJAALO COc1ccc(C[N@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C2CC2)cc1 ZINC000008148456 568977335 /nfs/dbraw/zinc/97/73/35/568977335.db2.gz HTSGDTLOWRXOCB-UHFFFAOYSA-N 1 2 414.962 4.902 50 0 HJAALO COc1ccc(C[N@@H+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)C2CC2)cc1 ZINC000008148456 568977336 /nfs/dbraw/zinc/97/73/36/568977336.db2.gz HTSGDTLOWRXOCB-UHFFFAOYSA-N 1 2 414.962 4.902 50 0 HJAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)Nc1ccccc1C)CC2 ZINC000012911942 569021834 /nfs/dbraw/zinc/02/18/34/569021834.db2.gz WDZKBAXAQKOVKO-SANMLTNESA-N 1 2 416.521 4.598 50 0 HJAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccccc1C)CC2 ZINC000012911942 569021835 /nfs/dbraw/zinc/02/18/35/569021835.db2.gz WDZKBAXAQKOVKO-SANMLTNESA-N 1 2 416.521 4.598 50 0 HJAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 ZINC000006589039 569068217 /nfs/dbraw/zinc/06/82/17/569068217.db2.gz VNRKETHAAWIXIE-UHFFFAOYSA-N 1 2 406.482 4.567 50 0 HJAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 ZINC000006589039 569068218 /nfs/dbraw/zinc/06/82/18/569068218.db2.gz VNRKETHAAWIXIE-UHFFFAOYSA-N 1 2 406.482 4.567 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1)S2 ZINC000016690103 569070576 /nfs/dbraw/zinc/07/05/76/569070576.db2.gz JXOOTDTXDUCOPV-XNJGSVPQSA-N 1 2 404.967 4.780 50 0 HJAALO Cc1ccc(Cn2cc[nH+]c2CN(Cc2ccco2)C(=O)c2cccc(F)c2)cc1 ZINC000006688945 569089522 /nfs/dbraw/zinc/08/95/22/569089522.db2.gz JMMBQKGSZIJSNE-UHFFFAOYSA-N 1 2 403.457 4.815 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000036104809 569092657 /nfs/dbraw/zinc/09/26/57/569092657.db2.gz JXOOTDTXDUCOPV-DCGLDWPTSA-N 1 2 404.967 4.780 50 0 HJAALO COc1ccccc1[C@H]1c2cccn2CCC[N@H+]1Cc1ccc(OC)c(OC)c1OC ZINC000036347729 569144308 /nfs/dbraw/zinc/14/43/08/569144308.db2.gz ZDWKZUSUBSOBFA-QHCPKHFHSA-N 1 2 422.525 4.518 50 0 HJAALO COc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1ccc(OC)c(OC)c1OC ZINC000036347729 569144309 /nfs/dbraw/zinc/14/43/09/569144309.db2.gz ZDWKZUSUBSOBFA-QHCPKHFHSA-N 1 2 422.525 4.518 50 0 HJAALO Cc1ccc(-c2nc(C(=O)NCCCn3cc[nH+]c3)cc3c4ccccc4[nH]c32)cc1 ZINC000006908822 569178733 /nfs/dbraw/zinc/17/87/33/569178733.db2.gz VGYLLXBTWFXZFN-UHFFFAOYSA-N 1 2 409.493 4.708 50 0 biogenic HJAALO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000007684673 569300675 /nfs/dbraw/zinc/30/06/75/569300675.db2.gz JYMWFRDRGNBUEL-YLJYHZDGSA-N 1 2 420.509 4.608 50 0 HJAALO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000007684673 569300676 /nfs/dbraw/zinc/30/06/76/569300676.db2.gz JYMWFRDRGNBUEL-YLJYHZDGSA-N 1 2 420.509 4.608 50 0 HJAALO C[N@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1cccs1 ZINC000007846786 569314445 /nfs/dbraw/zinc/31/44/45/569314445.db2.gz VQYFEWNTHFGACO-IBGZPJMESA-N 1 2 413.930 4.804 50 0 HJAALO C[N@@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1cccs1 ZINC000007846786 569314446 /nfs/dbraw/zinc/31/44/46/569314446.db2.gz VQYFEWNTHFGACO-IBGZPJMESA-N 1 2 413.930 4.804 50 0 HJAALO COc1cccc(CNC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)c1 ZINC000013348159 569410940 /nfs/dbraw/zinc/41/09/40/569410940.db2.gz YDWWSRFUCQTQMF-UHFFFAOYSA-N 1 2 400.482 4.678 50 0 HJAALO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)c2ccc(Br)o2)CC1 ZINC000038671780 571060509 /nfs/dbraw/zinc/06/05/09/571060509.db2.gz BJUMXKAQLMSSRH-UHFFFAOYSA-N 1 2 416.319 4.633 50 0 HJAALO C[C@H](Nc1c(C(=O)N2CCOCC2)c[nH+]c2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000067288405 571066097 /nfs/dbraw/zinc/06/60/97/571066097.db2.gz ZKAAMKJEDIBRCC-AWEZNQCLSA-N 1 2 413.880 4.673 50 0 HJAALO O=C(Nc1ccccc1Oc1ccccc1Cl)N1CC[NH+](Cc2ccncc2)CC1 ZINC000040104273 571165062 /nfs/dbraw/zinc/16/50/62/571165062.db2.gz KQRSPSPKXRLYTN-UHFFFAOYSA-N 1 2 422.916 4.877 50 0 HJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3cc(Cl)cc4c3OCOC4)CC2)c1 ZINC000069150473 571207959 /nfs/dbraw/zinc/20/79/59/571207959.db2.gz KJYBLTSGEQQCGA-UHFFFAOYSA-N 1 2 412.839 4.548 50 0 HJAALO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009513032 571264451 /nfs/dbraw/zinc/26/44/51/571264451.db2.gz DMAASJPAWPXSPM-HNNXBMFYSA-N 1 2 405.889 4.511 50 0 HJAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)c(C)c1 ZINC000009517696 571265456 /nfs/dbraw/zinc/26/54/56/571265456.db2.gz UFKHLYLUBWKNJB-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)n1 ZINC000009573417 571269262 /nfs/dbraw/zinc/26/92/62/571269262.db2.gz YTRQMFJGWYJLNI-GOSISDBHSA-N 1 2 419.529 4.781 50 0 HJAALO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000032740626 518841560 /nfs/dbraw/zinc/84/15/60/518841560.db2.gz GCQWPWNNKZBGSA-DHZHZOJOSA-N 1 2 421.541 4.505 50 0 HJAALO Cc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019893237 524297899 /nfs/dbraw/zinc/29/78/99/524297899.db2.gz QKKPCABQTRDCLI-UHFFFAOYSA-N 1 2 413.565 4.874 50 0 HJAALO CC(C)CCNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2CCc2ccccc2)C1 ZINC000034907609 557474456 /nfs/dbraw/zinc/47/44/56/557474456.db2.gz QGCZYDFBDRNARA-QFIPXVFZSA-N 1 2 418.585 4.658 50 0 HJAALO CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)CC1 ZINC000004325190 557541897 /nfs/dbraw/zinc/54/18/97/557541897.db2.gz RDEMCULUELJCQG-UHFFFAOYSA-N 1 2 405.325 4.895 50 0 HJAALO COc1cc(OC)c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1Br ZINC000005526553 557684791 /nfs/dbraw/zinc/68/47/91/557684791.db2.gz LCSFDJKOJJOWAQ-UHFFFAOYSA-N 1 2 406.295 4.895 50 0 HJAALO COc1cc(OC)c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1Br ZINC000005526553 557684793 /nfs/dbraw/zinc/68/47/93/557684793.db2.gz LCSFDJKOJJOWAQ-UHFFFAOYSA-N 1 2 406.295 4.895 50 0 HJAALO Cc1ncc(C[N@@H+]2CCc3n[nH]c(C4(c5ccc(Cl)cc5)CCCC4)c3C2)cn1 ZINC000019731297 558259617 /nfs/dbraw/zinc/25/96/17/558259617.db2.gz XUOUPYPFSTZTSF-UHFFFAOYSA-N 1 2 407.949 4.580 50 0 HJAALO Cc1ncc(C[N@H+]2CCc3n[nH]c(C4(c5ccc(Cl)cc5)CCCC4)c3C2)cn1 ZINC000019731297 558259618 /nfs/dbraw/zinc/25/96/18/558259618.db2.gz XUOUPYPFSTZTSF-UHFFFAOYSA-N 1 2 407.949 4.580 50 0 HJAALO CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000011665206 558268725 /nfs/dbraw/zinc/26/87/25/558268725.db2.gz YTDUNEMLLWNCLY-JOCHJYFZSA-N 1 2 419.529 4.645 50 0 HJAALO CC(C)n1cc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000011665206 558268726 /nfs/dbraw/zinc/26/87/26/558268726.db2.gz YTDUNEMLLWNCLY-JOCHJYFZSA-N 1 2 419.529 4.645 50 0 HJAALO FC(F)(F)c1ccccc1C[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000019832127 558291905 /nfs/dbraw/zinc/29/19/05/558291905.db2.gz QUJQLQPRXKZNOK-UHFFFAOYSA-N 1 2 413.281 4.786 50 0 HJAALO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2ccccc2Br)CC1 ZINC000019832127 558291907 /nfs/dbraw/zinc/29/19/07/558291907.db2.gz QUJQLQPRXKZNOK-UHFFFAOYSA-N 1 2 413.281 4.786 50 0 HJAALO C[N@@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@@H]1Cc2ccccc2O1 ZINC000012004769 558308901 /nfs/dbraw/zinc/30/89/01/558308901.db2.gz KFTVPGRVEPGHKN-QFIPXVFZSA-N 1 2 411.505 4.685 50 0 HJAALO C[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@@H]1Cc2ccccc2O1 ZINC000012004769 558308902 /nfs/dbraw/zinc/30/89/02/558308902.db2.gz KFTVPGRVEPGHKN-QFIPXVFZSA-N 1 2 411.505 4.685 50 0 HJAALO O=C(CCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012703409 558448520 /nfs/dbraw/zinc/44/85/20/558448520.db2.gz MJFUTEZAJGHZBF-LJQANCHMSA-N 1 2 409.917 4.804 50 0 HJAALO O=C(CCc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012703409 558448522 /nfs/dbraw/zinc/44/85/22/558448522.db2.gz MJFUTEZAJGHZBF-LJQANCHMSA-N 1 2 409.917 4.804 50 0 HJAALO O=c1nc(C[N@@H+]2CCc3sccc3[C@H]2C2CC2)[nH]c2scc(-c3ccco3)c21 ZINC000024498012 558599466 /nfs/dbraw/zinc/59/94/66/558599466.db2.gz BHEFIGGMYOLWJQ-LJQANCHMSA-N 1 2 409.536 4.816 50 0 HJAALO O=c1nc(C[N@H+]2CCc3sccc3[C@H]2C2CC2)[nH]c2scc(-c3ccco3)c21 ZINC000024498012 558599469 /nfs/dbraw/zinc/59/94/69/558599469.db2.gz BHEFIGGMYOLWJQ-LJQANCHMSA-N 1 2 409.536 4.816 50 0 HJAALO Cc1cccc(OCCSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000004490723 558609607 /nfs/dbraw/zinc/60/96/07/558609607.db2.gz BQTKSNDBCQIXQU-INIZCTEOSA-N 1 2 400.523 4.509 50 0 HJAALO C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027680471 558680248 /nfs/dbraw/zinc/68/02/48/558680248.db2.gz NCZYJLQBDKPFQF-SFHVURJKSA-N 1 2 410.477 4.616 50 0 HJAALO Cn1c(C[N@H+](C)Cc2cc3ccccc3s2)nnc1SCCOc1ccccc1 ZINC000014982932 558692477 /nfs/dbraw/zinc/69/24/77/558692477.db2.gz ALVQRKJPQHPWQL-UHFFFAOYSA-N 1 2 424.595 4.833 50 0 HJAALO Cn1c(C[N@@H+](C)Cc2cc3ccccc3s2)nnc1SCCOc1ccccc1 ZINC000014982932 558692480 /nfs/dbraw/zinc/69/24/80/558692480.db2.gz ALVQRKJPQHPWQL-UHFFFAOYSA-N 1 2 424.595 4.833 50 0 HJAALO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000028292074 558697906 /nfs/dbraw/zinc/69/79/06/558697906.db2.gz ZERQPOPCOBHWPU-QHCPKHFHSA-N 1 2 424.585 4.576 50 0 HJAALO c1ccc2c(c1)-c1ccccc1C2Sc1nnc(NCCC[NH+]2CCOCC2)s1 ZINC000016046192 558770410 /nfs/dbraw/zinc/77/04/10/558770410.db2.gz WDEKVYZGGVIDHX-UHFFFAOYSA-N 1 2 424.595 4.534 50 0 HJAALO O=C(N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1csc(-c2ccsc2)n1 ZINC000072309916 558778628 /nfs/dbraw/zinc/77/86/28/558778628.db2.gz NMADBFLAIQNERE-OALUTQOASA-N 1 2 406.536 4.727 50 0 HJAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1cccc(Cl)c1)N1CCSCC1 ZINC000072328503 558864004 /nfs/dbraw/zinc/86/40/04/558864004.db2.gz NXVXMKAXTPSEBO-UHFFFAOYSA-N 1 2 415.921 4.828 50 0 HJAALO COc1ccc(F)c(C[N@@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c1 ZINC000055107884 558872877 /nfs/dbraw/zinc/87/28/77/558872877.db2.gz AAQQEJNOBFFCKJ-DEOSSOPVSA-N 1 2 407.485 4.505 50 0 HJAALO COc1ccc(F)c(C[N@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c1 ZINC000055107884 558872878 /nfs/dbraw/zinc/87/28/78/558872878.db2.gz AAQQEJNOBFFCKJ-DEOSSOPVSA-N 1 2 407.485 4.505 50 0 HJAALO CCc1cc2c(ncnc2N2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)s1 ZINC000055250657 558877346 /nfs/dbraw/zinc/87/73/46/558877346.db2.gz IZWIXFBQJRAYTL-UHFFFAOYSA-N 1 2 407.370 4.883 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000033116545 558877705 /nfs/dbraw/zinc/87/77/05/558877705.db2.gz JDOWAJCQBHQENZ-UHFFFAOYSA-N 1 2 423.513 4.781 50 0 HJAALO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000033116571 558877824 /nfs/dbraw/zinc/87/78/24/558877824.db2.gz JZWIOKFRVUFUMG-UHFFFAOYSA-N 1 2 409.486 4.596 50 0 HJAALO CCc1ccccc1S(=O)(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000033116577 558877888 /nfs/dbraw/zinc/87/78/88/558877888.db2.gz NCSVGPNMPOMKEV-UHFFFAOYSA-N 1 2 405.523 4.711 50 0 HJAALO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058393586 558923782 /nfs/dbraw/zinc/92/37/82/558923782.db2.gz CXNOADGZESBRKN-RBUKOAKNSA-N 1 2 407.272 4.878 50 0 HJAALO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058393586 558923783 /nfs/dbraw/zinc/92/37/83/558923783.db2.gz CXNOADGZESBRKN-RBUKOAKNSA-N 1 2 407.272 4.878 50 0 HJAALO COCC[C@H]1C[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CCO1 ZINC000072410796 558977668 /nfs/dbraw/zinc/97/76/68/558977668.db2.gz NGTFHLSXBHIGTA-QFIPXVFZSA-N 1 2 408.498 4.680 50 0 HJAALO COCC[C@H]1C[N@@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CCO1 ZINC000072410796 558977670 /nfs/dbraw/zinc/97/76/70/558977670.db2.gz NGTFHLSXBHIGTA-QFIPXVFZSA-N 1 2 408.498 4.680 50 0 HJAALO C[N@H+](Cc1ncc[nH]1)Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072424589 558978776 /nfs/dbraw/zinc/97/87/76/558978776.db2.gz QHRAPQHVRBJKCB-UHFFFAOYSA-N 1 2 406.873 4.639 50 0 HJAALO C[N@@H+](Cc1ncc[nH]1)Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072424589 558978779 /nfs/dbraw/zinc/97/87/79/558978779.db2.gz QHRAPQHVRBJKCB-UHFFFAOYSA-N 1 2 406.873 4.639 50 0 HJAALO C[C@H](NC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000033269072 558993780 /nfs/dbraw/zinc/99/37/80/558993780.db2.gz DOLFEVXQBKQDRD-DUXBZUBYSA-N 1 2 406.574 4.500 50 0 HJAALO COc1cc(Br)c(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000098081564 559064771 /nfs/dbraw/zinc/06/47/71/559064771.db2.gz RCOZMVOXYMJABW-IBGZPJMESA-N 1 2 418.335 4.830 50 0 HJAALO COc1cccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023325252 559150786 /nfs/dbraw/zinc/15/07/86/559150786.db2.gz DJUFCQRDXNQQRT-XMMPIXPASA-N 1 2 420.940 4.896 50 0 HJAALO C[N@@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)sc2C1 ZINC000023608047 559177919 /nfs/dbraw/zinc/17/79/19/559177919.db2.gz AGLXKFCKTNRAEZ-UHFFFAOYSA-N 1 2 406.536 4.660 50 0 HJAALO C[N@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)sc2C1 ZINC000023608047 559177921 /nfs/dbraw/zinc/17/79/21/559177921.db2.gz AGLXKFCKTNRAEZ-UHFFFAOYSA-N 1 2 406.536 4.660 50 0 HJAALO O=c1[nH]c2cc(Cl)c(Cl)cc2nc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000033140484 568511476 /nfs/dbraw/zinc/51/14/76/568511476.db2.gz MTGHWTVUKMRIRH-UHFFFAOYSA-N 1 2 423.731 4.618 50 0 HJAALO COc1c2c(cc3c1[C@H](CC(=O)c1cc(Cl)ccc1Cl)[N@H+](C)CC3)OCO2 ZINC000020113074 568589116 /nfs/dbraw/zinc/58/91/16/568589116.db2.gz DPAXTWIRFDWEOO-HNNXBMFYSA-N 1 2 408.281 4.533 50 0 biogenic HJAALO COc1c2c(cc3c1[C@H](CC(=O)c1cc(Cl)ccc1Cl)[N@@H+](C)CC3)OCO2 ZINC000020113074 568589119 /nfs/dbraw/zinc/58/91/19/568589119.db2.gz DPAXTWIRFDWEOO-HNNXBMFYSA-N 1 2 408.281 4.533 50 0 biogenic HJAALO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1C ZINC000020192390 568593641 /nfs/dbraw/zinc/59/36/41/568593641.db2.gz LSKZGAAFJPREHM-NRFANRHFSA-N 1 2 410.539 4.940 50 0 HJAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(-c4ccc(F)cc4)o1)[N@H+](C)CC3)OCO2 ZINC000020281651 568596652 /nfs/dbraw/zinc/59/66/52/568596652.db2.gz NXTZENRKQHCIIQ-QGZVFWFLSA-N 1 2 423.440 4.625 50 0 biogenic HJAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(-c4ccc(F)cc4)o1)[N@@H+](C)CC3)OCO2 ZINC000020281651 568596654 /nfs/dbraw/zinc/59/66/54/568596654.db2.gz NXTZENRKQHCIIQ-QGZVFWFLSA-N 1 2 423.440 4.625 50 0 biogenic HJAALO CCOc1cc(C[NH2+][C@@H](C)c2ncc(C)o2)ccc1OCCOc1ccc(F)cc1 ZINC000095468631 568625380 /nfs/dbraw/zinc/62/53/80/568625380.db2.gz DMNJBEHCXPBJHN-KRWDZBQOSA-N 1 2 414.477 4.829 50 0 HJAALO CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020902060 568650057 /nfs/dbraw/zinc/65/00/57/568650057.db2.gz CUZLPWPPBUJSMW-VWLOTQADSA-N 1 2 413.565 4.909 50 0 HJAALO CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020902060 568650059 /nfs/dbraw/zinc/65/00/59/568650059.db2.gz CUZLPWPPBUJSMW-VWLOTQADSA-N 1 2 413.565 4.909 50 0 HJAALO CCC(=O)N1CCN(c2nc([C@@H](C)CC)[nH+]c(C)c2Cc2cc(C)ccc2C)CC1 ZINC000096316963 568726011 /nfs/dbraw/zinc/72/60/11/568726011.db2.gz UZZGJIMSAWKAOS-SFHVURJKSA-N 1 2 408.590 4.565 50 0 HJAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cccc(Cl)c4C)CC3)no2)cc1 ZINC000021724456 568751010 /nfs/dbraw/zinc/75/10/10/568751010.db2.gz GVJJNSAXACIUKT-UHFFFAOYSA-N 1 2 424.932 4.858 50 0 HJAALO CCc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724873 568751491 /nfs/dbraw/zinc/75/14/91/568751491.db2.gz GGSWORICLJYYKR-OAQYLSRUSA-N 1 2 418.541 4.767 50 0 HJAALO CCc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724873 568751493 /nfs/dbraw/zinc/75/14/93/568751493.db2.gz GGSWORICLJYYKR-OAQYLSRUSA-N 1 2 418.541 4.767 50 0 HJAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022460149 568768096 /nfs/dbraw/zinc/76/80/96/568768096.db2.gz LLYIUPRXVAQFCM-PGRDOPGGSA-N 1 2 413.631 4.543 50 0 HJAALO Clc1ccc(-c2nc(CSc3[nH+]cnc4c3cnn4-c3ccccc3)no2)cc1 ZINC000029281737 568823913 /nfs/dbraw/zinc/82/39/13/568823913.db2.gz SLMBLACMJDVBBX-UHFFFAOYSA-N 1 2 420.885 4.811 50 0 HJAALO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057270786 568825397 /nfs/dbraw/zinc/82/53/97/568825397.db2.gz PJHCICUBIVKZPF-XMMPIXPASA-N 1 2 414.484 4.823 50 0 HJAALO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057270786 568825398 /nfs/dbraw/zinc/82/53/98/568825398.db2.gz PJHCICUBIVKZPF-XMMPIXPASA-N 1 2 414.484 4.823 50 0 HJAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012506832 568839488 /nfs/dbraw/zinc/83/94/88/568839488.db2.gz REJLBZCIQVDFPQ-LJQANCHMSA-N 1 2 404.539 4.962 50 0 HJAALO C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4c(F)cccc4Cl)nc(N)c32)C1 ZINC000012514514 568840466 /nfs/dbraw/zinc/84/04/66/568840466.db2.gz WMCDYUANHQXNRJ-GFCCVEGCSA-N 1 2 418.969 4.865 50 0 HJAALO C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)Cc4c(F)cccc4Cl)nc(N)c32)C1 ZINC000012514514 568840467 /nfs/dbraw/zinc/84/04/67/568840467.db2.gz WMCDYUANHQXNRJ-GFCCVEGCSA-N 1 2 418.969 4.865 50 0 HJAALO Cc1ccc(C[N@H+](C)Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)cc1 ZINC000012552296 568854181 /nfs/dbraw/zinc/85/41/81/568854181.db2.gz NZEGZWCHBGNBQA-UHFFFAOYSA-N 1 2 401.539 4.863 50 0 HJAALO Cc1ccc(C[N@@H+](C)Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)cc1 ZINC000012552296 568854182 /nfs/dbraw/zinc/85/41/82/568854182.db2.gz NZEGZWCHBGNBQA-UHFFFAOYSA-N 1 2 401.539 4.863 50 0 HJAALO CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)o2)cc1 ZINC000012574890 568862392 /nfs/dbraw/zinc/86/23/92/568862392.db2.gz WLDKBYFOTGQPIE-JOCHJYFZSA-N 1 2 417.440 4.541 50 0 HJAALO COC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1OC ZINC000003658723 568866868 /nfs/dbraw/zinc/86/68/68/568866868.db2.gz FXKQHHWIDCWPAT-HNNXBMFYSA-N 1 2 419.506 4.750 50 0 HJAALO C[C@@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000012595048 568868847 /nfs/dbraw/zinc/86/88/47/568868847.db2.gz LENLCJFTNRICTE-HNNXBMFYSA-N 1 2 423.517 4.976 50 0 HJAALO COc1ccc(C[N@H+](Cc2ccc(C(=O)NC(C)C)o2)Cc2cccc(F)c2)cc1 ZINC000004198213 568951287 /nfs/dbraw/zinc/95/12/87/568951287.db2.gz LVVVLDTZIKRYIR-UHFFFAOYSA-N 1 2 410.489 4.768 50 0 HJAALO COc1ccc(C[N@@H+](Cc2ccc(C(=O)NC(C)C)o2)Cc2cccc(F)c2)cc1 ZINC000004198213 568951288 /nfs/dbraw/zinc/95/12/88/568951288.db2.gz LVVVLDTZIKRYIR-UHFFFAOYSA-N 1 2 410.489 4.768 50 0 HJAALO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2nc3ccccc3s2)c(Br)c1 ZINC000012772576 568952745 /nfs/dbraw/zinc/95/27/45/568952745.db2.gz KXMJMLLMGXKELE-ZDUSSCGKSA-N 1 2 418.360 4.826 50 0 HJAALO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2nc3ccccc3s2)c(Br)c1 ZINC000012772576 568952746 /nfs/dbraw/zinc/95/27/46/568952746.db2.gz KXMJMLLMGXKELE-ZDUSSCGKSA-N 1 2 418.360 4.826 50 0 HJAALO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000008189826 568981042 /nfs/dbraw/zinc/98/10/42/568981042.db2.gz OUWQJZDNHBVRGG-GOSISDBHSA-N 1 2 413.543 4.758 50 0 HJAALO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000008189826 568981043 /nfs/dbraw/zinc/98/10/43/568981043.db2.gz OUWQJZDNHBVRGG-GOSISDBHSA-N 1 2 413.543 4.758 50 0 HJAALO CCC[N@H+](CC(=O)Nc1cccc(Cl)c1C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000006085379 568997524 /nfs/dbraw/zinc/99/75/24/568997524.db2.gz GKMOZZIGDGBVRJ-OAHLLOKOSA-N 1 2 422.356 4.980 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000006085379 568997527 /nfs/dbraw/zinc/99/75/27/568997527.db2.gz GKMOZZIGDGBVRJ-OAHLLOKOSA-N 1 2 422.356 4.980 50 0 HJAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000053224399 568998458 /nfs/dbraw/zinc/99/84/58/568998458.db2.gz LWLWWFQDABJJFE-UHFFFAOYSA-N 1 2 403.551 4.599 50 0 HJAALO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000008395225 568999216 /nfs/dbraw/zinc/99/92/16/568999216.db2.gz UJSGWLGJKCOENT-UHFFFAOYSA-N 1 2 414.571 4.879 50 0 HJAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000105091398 569009837 /nfs/dbraw/zinc/00/98/37/569009837.db2.gz KUQGWQNCPOLKOB-CTNGQTDRSA-N 1 2 404.558 4.930 50 0 HJAALO Cc1ccc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1NC(=O)c1ccccc1 ZINC000117347815 569015016 /nfs/dbraw/zinc/01/50/16/569015016.db2.gz OIIYBZHRYXJCHR-UHFFFAOYSA-N 1 2 410.477 4.900 50 0 HJAALO CC(=O)Nc1ccc(C(=O)Nc2cccc(CCc3[nH]c4ccc(C)cc4[nH+]3)c2)cc1 ZINC000015863610 569016186 /nfs/dbraw/zinc/01/61/86/569016186.db2.gz MKKPYAVVMZDZQQ-UHFFFAOYSA-N 1 2 412.493 4.867 50 0 HJAALO CC(=O)Nc1ccc(C(=O)Nc2cccc(CCc3[nH]c4cc(C)ccc4[nH+]3)c2)cc1 ZINC000015863610 569016187 /nfs/dbraw/zinc/01/61/87/569016187.db2.gz MKKPYAVVMZDZQQ-UHFFFAOYSA-N 1 2 412.493 4.867 50 0 HJAALO CCOc1cccc2sc(N(CCCn3cc[nH+]c3)C(=O)c3cccs3)nc21 ZINC000007424611 569031729 /nfs/dbraw/zinc/03/17/29/569031729.db2.gz BBRMSGRVOVLVPZ-UHFFFAOYSA-N 1 2 412.540 4.690 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccc(Cl)cc4)CC3)cn2)cc1 ZINC000035403886 569035570 /nfs/dbraw/zinc/03/55/70/569035570.db2.gz CMJPBNKIARRROC-UHFFFAOYSA-N 1 2 406.917 4.562 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccc(Cl)cc4)CC3)cn2)cc1 ZINC000035403886 569035571 /nfs/dbraw/zinc/03/55/71/569035571.db2.gz CMJPBNKIARRROC-UHFFFAOYSA-N 1 2 406.917 4.562 50 0 HJAALO Clc1ccc(OCc2ccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)cc2)c(Cl)c1 ZINC000006448212 569052995 /nfs/dbraw/zinc/05/29/95/569052995.db2.gz QFNRGBIPWDVTLC-UHFFFAOYSA-N 1 2 411.252 4.553 50 0 HJAALO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591236 569060172 /nfs/dbraw/zinc/06/01/72/569060172.db2.gz DQZANKNRDMSXIM-VHSXEESVSA-N 1 2 402.766 4.960 50 0 HJAALO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591236 569060173 /nfs/dbraw/zinc/06/01/73/569060173.db2.gz DQZANKNRDMSXIM-VHSXEESVSA-N 1 2 402.766 4.960 50 0 HJAALO Cc1ccc(NC(=O)C[NH+](CC(=O)Nc2ccc(C)cc2)CC2CCCCC2)cc1 ZINC000006584687 569068053 /nfs/dbraw/zinc/06/80/53/569068053.db2.gz KKDWGDQSJICKRO-UHFFFAOYSA-N 1 2 407.558 4.763 50 0 HJAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035999905 569074901 /nfs/dbraw/zinc/07/49/01/569074901.db2.gz XRYLEVHEEGBXKR-UHFFFAOYSA-N 1 2 415.459 4.808 50 0 HJAALO COc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccc(C)c4[nH+]3)ccc2C)cc1C ZINC000006748120 569108534 /nfs/dbraw/zinc/10/85/34/569108534.db2.gz IHDVJTZPCRSZKI-UHFFFAOYSA-N 1 2 421.522 4.736 50 0 HJAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2)cc1 ZINC000007360319 569234983 /nfs/dbraw/zinc/23/49/83/569234983.db2.gz WUUQCVMETBGYRC-FQEVSTJZSA-N 1 2 406.555 4.672 50 0 HJAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2)cc1 ZINC000007360319 569234984 /nfs/dbraw/zinc/23/49/84/569234984.db2.gz WUUQCVMETBGYRC-FQEVSTJZSA-N 1 2 406.555 4.672 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CC(=O)Nc1ccc(C)cc1)CC2 ZINC000037215247 569240446 /nfs/dbraw/zinc/24/04/46/569240446.db2.gz SZOPSXDBAIVLDO-DEOSSOPVSA-N 1 2 422.550 4.660 50 0 HJAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CC(=O)Nc1ccc(C)cc1)CC2 ZINC000037215247 569240447 /nfs/dbraw/zinc/24/04/47/569240447.db2.gz SZOPSXDBAIVLDO-DEOSSOPVSA-N 1 2 422.550 4.660 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000014402407 569259840 /nfs/dbraw/zinc/25/98/40/569259840.db2.gz IPKGWVMBDWFGHG-FQEVSTJZSA-N 1 2 409.848 4.992 50 0 HJAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000017013341 569271703 /nfs/dbraw/zinc/27/17/03/569271703.db2.gz VFZNJPUZNBHHEM-UHFFFAOYSA-N 1 2 405.477 4.910 50 0 HJAALO COc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3-c2ccccc2)cc(OC)c1OC ZINC000007594920 569287330 /nfs/dbraw/zinc/28/73/30/569287330.db2.gz RGBAJOFOMHTOPC-UHFFFAOYSA-N 1 2 417.465 4.612 50 0 HJAALO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252512414 569291980 /nfs/dbraw/zinc/29/19/80/569291980.db2.gz QHVAINGMAZCHAH-AEFFLSMTSA-N 1 2 424.715 4.787 50 0 HJAALO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252512414 569291981 /nfs/dbraw/zinc/29/19/81/569291981.db2.gz QHVAINGMAZCHAH-AEFFLSMTSA-N 1 2 424.715 4.787 50 0 HJAALO COc1cc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F ZINC000007781808 569310107 /nfs/dbraw/zinc/31/01/07/569310107.db2.gz UJXTYXTURLPXFR-CQSZACIVSA-N 1 2 403.429 4.848 50 0 HJAALO COc1cc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F ZINC000007781808 569310108 /nfs/dbraw/zinc/31/01/08/569310108.db2.gz UJXTYXTURLPXFR-CQSZACIVSA-N 1 2 403.429 4.848 50 0 HJAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1cccc(Br)c1 ZINC000007922140 569327152 /nfs/dbraw/zinc/32/71/52/569327152.db2.gz DUZJNFUWUFTQLF-LBPRGKRZSA-N 1 2 404.333 4.690 50 0 HJAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1cccc(Br)c1 ZINC000007922140 569327154 /nfs/dbraw/zinc/32/71/54/569327154.db2.gz DUZJNFUWUFTQLF-LBPRGKRZSA-N 1 2 404.333 4.690 50 0 HJAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)cc1C ZINC000002447019 569401389 /nfs/dbraw/zinc/40/13/89/569401389.db2.gz NRDVWWMBHJDSJO-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO CC(C)[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1nnc(-c2ccccc2)o1 ZINC000040012036 571138003 /nfs/dbraw/zinc/13/80/03/571138003.db2.gz NGKJXLBKVHMUOD-UHFFFAOYSA-N 1 2 406.530 4.883 50 0 HJAALO CC(C)[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1nnc(-c2ccccc2)o1 ZINC000040012036 571138005 /nfs/dbraw/zinc/13/80/05/571138005.db2.gz NGKJXLBKVHMUOD-UHFFFAOYSA-N 1 2 406.530 4.883 50 0 HJAALO O=C(COc1ccc2oc3ccccc3c2c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000040023571 571139424 /nfs/dbraw/zinc/13/94/24/571139424.db2.gz NOBSZDXCNONBON-UHFFFAOYSA-N 1 2 411.461 4.526 50 0 HJAALO C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040068789 571148946 /nfs/dbraw/zinc/14/89/46/571148946.db2.gz DDGVZXWMBLPWIZ-HNNXBMFYSA-N 1 2 402.420 4.794 50 0 HJAALO O=C1[C@H](c2ccccc2)[C@H](c2cccnc2)[NH2+][C@@H](c2cccnc2)[C@H]1c1ccccc1 ZINC000245261347 571221278 /nfs/dbraw/zinc/22/12/78/571221278.db2.gz QUBUVGOIRQLXMK-XPGKHFPBSA-N 1 2 405.501 4.999 50 0 HJAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cn3cc(C)ccc3n1)CC2 ZINC000009155444 571231795 /nfs/dbraw/zinc/23/17/95/571231795.db2.gz RORHNXAMTRFPKF-SANMLTNESA-N 1 2 413.521 4.808 50 0 HJAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cn3cc(C)ccc3n1)CC2 ZINC000009155444 571231796 /nfs/dbraw/zinc/23/17/96/571231796.db2.gz RORHNXAMTRFPKF-SANMLTNESA-N 1 2 413.521 4.808 50 0 HJAALO Cc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)c1C ZINC000009517667 571265421 /nfs/dbraw/zinc/26/54/21/571265421.db2.gz LASPNHBGVWHLNI-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO COc1ccc(C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C2CC2)cc1 ZINC000009975986 571293412 /nfs/dbraw/zinc/29/34/12/571293412.db2.gz KWTBNNFARPMHGC-UHFFFAOYSA-N 1 2 403.404 4.929 50 0 HJAALO COc1ccc(C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C2CC2)cc1 ZINC000009975986 571293413 /nfs/dbraw/zinc/29/34/13/571293413.db2.gz KWTBNNFARPMHGC-UHFFFAOYSA-N 1 2 403.404 4.929 50 0 HJAALO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000071849882 571303382 /nfs/dbraw/zinc/30/33/82/571303382.db2.gz NFSNAZRHJJUWGB-MRXNPFEDSA-N 1 2 412.490 4.538 50 0 HJAALO COc1cccc(C[N@@H+](Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)CC2CC2)c1 ZINC000036082821 571317332 /nfs/dbraw/zinc/31/73/32/571317332.db2.gz NDQMCYIGBVRCOG-GOSISDBHSA-N 1 2 419.525 4.586 50 0 HJAALO COc1cccc(C[N@H+](Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)CC2CC2)c1 ZINC000036082821 571317333 /nfs/dbraw/zinc/31/73/33/571317333.db2.gz NDQMCYIGBVRCOG-GOSISDBHSA-N 1 2 419.525 4.586 50 0 HJAALO Cc1[nH+]c(-c2ccccc2)nc(N2CCN(C(=O)c3cccc(F)c3)CC2)c1C(C)C ZINC000006279835 132310174 /nfs/dbraw/zinc/31/01/74/132310174.db2.gz QCMLGXNKCGRYSO-UHFFFAOYSA-N 1 2 418.516 4.677 50 0 HJAALO COc1ccc2cc([C@@H](C)C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)ccc2c1 ZINC000032830705 525635327 /nfs/dbraw/zinc/63/53/27/525635327.db2.gz FBUADDGIKLEDFL-MWTRTKDXSA-N 1 2 417.484 4.730 50 0 HJAALO Cc1cc2oc(=O)cc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2cc1Cl ZINC000032665054 525690256 /nfs/dbraw/zinc/69/02/56/525690256.db2.gz ASNLCGYYZWMREI-UHFFFAOYSA-N 1 2 417.336 4.726 50 0 HJAALO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000032824994 525885908 /nfs/dbraw/zinc/88/59/08/525885908.db2.gz KYTIWXUDGJNXME-INIZCTEOSA-N 1 2 405.527 4.538 50 0 HJAALO Cc1ccc2[nH+]c(CSc3nnc(N4CCCC4)n3-c3ccccc3Cl)cn2c1 ZINC000009516770 557110590 /nfs/dbraw/zinc/11/05/90/557110590.db2.gz RPCQHHFOMZULRV-UHFFFAOYSA-N 1 2 424.961 4.769 50 0 HJAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4F)cc3n2)cc1 ZINC000001076047 557172916 /nfs/dbraw/zinc/17/29/16/557172916.db2.gz SKDOEMPHUBSOBS-UHFFFAOYSA-N 1 2 417.488 4.967 50 0 HJAALO CC[C@H](C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022632814 557297025 /nfs/dbraw/zinc/29/70/25/557297025.db2.gz MHEQRTSHOXGDLA-LAUBAEHRSA-N 1 2 415.375 4.729 50 0 HJAALO CC(C)CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022631952 557298529 /nfs/dbraw/zinc/29/85/29/557298529.db2.gz DPBTZJFOFIOTKY-QFIPXVFZSA-N 1 2 415.375 4.729 50 0 HJAALO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=[NH+]3)cc1 ZINC000002256571 557331893 /nfs/dbraw/zinc/33/18/93/557331893.db2.gz SCNMAJFBWPLJQU-DNQXCXABSA-N 1 2 410.452 4.938 50 0 HJAALO O=C(NCc1ccccc1)c1csc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000034668986 557362283 /nfs/dbraw/zinc/36/22/83/557362283.db2.gz GCGAJVAKHDDZGO-UHFFFAOYSA-N 1 2 405.567 4.528 50 0 HJAALO COc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc(OC)c1O ZINC000005032496 557628242 /nfs/dbraw/zinc/62/82/42/557628242.db2.gz YBEGIMIGWSUBTG-OAQYLSRUSA-N 1 2 406.526 4.956 50 0 HJAALO COc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc(OC)c1O ZINC000005032496 557628245 /nfs/dbraw/zinc/62/82/45/557628245.db2.gz YBEGIMIGWSUBTG-OAQYLSRUSA-N 1 2 406.526 4.956 50 0 HJAALO CC(C)n1cc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000011665207 558268692 /nfs/dbraw/zinc/26/86/92/558268692.db2.gz YTDUNEMLLWNCLY-QFIPXVFZSA-N 1 2 419.529 4.645 50 0 HJAALO CC(C)n1cc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000011665207 558268695 /nfs/dbraw/zinc/26/86/95/558268695.db2.gz YTDUNEMLLWNCLY-QFIPXVFZSA-N 1 2 419.529 4.645 50 0 HJAALO O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019791402 558282642 /nfs/dbraw/zinc/28/26/42/558282642.db2.gz JLDSCBGMMWJKRU-DEOSSOPVSA-N 1 2 402.563 4.864 50 0 HJAALO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2nccn2-c2cccc(C)c2)CC1 ZINC000011819749 558282992 /nfs/dbraw/zinc/28/29/92/558282992.db2.gz WCQJLBZQZALIAZ-UHFFFAOYSA-N 1 2 417.553 4.569 50 0 HJAALO COCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1 ZINC000012308950 558376952 /nfs/dbraw/zinc/37/69/52/558376952.db2.gz AGTUXJXFXZXUFK-QHCPKHFHSA-N 1 2 421.497 4.607 50 0 HJAALO COCc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1 ZINC000012308950 558376954 /nfs/dbraw/zinc/37/69/54/558376954.db2.gz AGTUXJXFXZXUFK-QHCPKHFHSA-N 1 2 421.497 4.607 50 0 HJAALO O=C(/C=C/c1ccc(Cl)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020508622 558381669 /nfs/dbraw/zinc/38/16/69/558381669.db2.gz ZRKGUUXPSBCMAB-WUZDHUPESA-N 1 2 401.337 4.864 50 0 HJAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000012448294 558415354 /nfs/dbraw/zinc/41/53/54/558415354.db2.gz ABCWZEIDHWTANE-GOSISDBHSA-N 1 2 423.944 4.818 50 0 HJAALO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012465192 558420219 /nfs/dbraw/zinc/42/02/19/558420219.db2.gz CNGJYIPKRVIRMI-INIZCTEOSA-N 1 2 410.495 4.535 50 0 HJAALO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012465192 558420220 /nfs/dbraw/zinc/42/02/20/558420220.db2.gz CNGJYIPKRVIRMI-INIZCTEOSA-N 1 2 410.495 4.535 50 0 HJAALO O=C(c1ccc(O)c(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004189 558428517 /nfs/dbraw/zinc/42/85/17/558428517.db2.gz BCYLRFUQYRDQGY-UHFFFAOYSA-N 1 2 406.913 4.593 50 0 HJAALO Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000013041407 558507412 /nfs/dbraw/zinc/50/74/12/558507412.db2.gz PSMWLAJUPQKIPZ-UHFFFAOYSA-N 1 2 407.967 4.889 50 0 HJAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl ZINC000013062022 558509972 /nfs/dbraw/zinc/50/99/72/558509972.db2.gz IEUVEOWSGZXWKG-INIZCTEOSA-N 1 2 407.297 4.540 50 0 HJAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl ZINC000013062022 558509975 /nfs/dbraw/zinc/50/99/75/558509975.db2.gz IEUVEOWSGZXWKG-INIZCTEOSA-N 1 2 407.297 4.540 50 0 HJAALO Cc1sc2nc(C)nc(N3CC[NH+](Cc4nc5ccccc5s4)CC3)c2c1C ZINC000023990184 558583844 /nfs/dbraw/zinc/58/38/44/558583844.db2.gz OHRDPUCNGLGTIK-UHFFFAOYSA-N 1 2 409.584 4.548 50 0 HJAALO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000014123312 558622728 /nfs/dbraw/zinc/62/27/28/558622728.db2.gz UOOCFSGKJUWBLX-XMMPIXPASA-N 1 2 411.505 4.584 50 0 HJAALO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000014123312 558622731 /nfs/dbraw/zinc/62/27/31/558622731.db2.gz UOOCFSGKJUWBLX-XMMPIXPASA-N 1 2 411.505 4.584 50 0 HJAALO Cc1nonc1C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000014981467 558692027 /nfs/dbraw/zinc/69/20/27/558692027.db2.gz LRDJMMNZZQVRQW-UHFFFAOYSA-N 1 2 413.481 4.668 50 0 HJAALO Cc1nonc1C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000014981467 558692029 /nfs/dbraw/zinc/69/20/29/558692029.db2.gz LRDJMMNZZQVRQW-UHFFFAOYSA-N 1 2 413.481 4.668 50 0 HJAALO Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028289015 558695827 /nfs/dbraw/zinc/69/58/27/558695827.db2.gz JKQUCPHEGWVBLH-HXUWFJFHSA-N 1 2 424.928 4.630 50 0 HJAALO Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cc(=O)c2cc1C ZINC000028289546 558696171 /nfs/dbraw/zinc/69/61/71/558696171.db2.gz XZVZODRHAJZTQU-FQEVSTJZSA-N 1 2 424.928 4.630 50 0 HJAALO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000028292071 558697921 /nfs/dbraw/zinc/69/79/21/558697921.db2.gz ZERQPOPCOBHWPU-HSZRJFAPSA-N 1 2 424.585 4.576 50 0 HJAALO COc1ccccc1CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C2CCC2)CC1 ZINC000015008838 558699751 /nfs/dbraw/zinc/69/97/51/558699751.db2.gz WGQHVMVXISOFPA-UHFFFAOYSA-N 1 2 417.553 4.794 50 0 HJAALO CSc1ccc(C[N@H+](C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000022077889 558779064 /nfs/dbraw/zinc/77/90/64/558779064.db2.gz MYCSWGXBNIJVEN-QHCPKHFHSA-N 1 2 415.566 4.914 50 0 HJAALO CSc1ccc(C[N@@H+](C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000022077889 558779066 /nfs/dbraw/zinc/77/90/66/558779066.db2.gz MYCSWGXBNIJVEN-QHCPKHFHSA-N 1 2 415.566 4.914 50 0 HJAALO O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000033019625 558836190 /nfs/dbraw/zinc/83/61/90/558836190.db2.gz ZHXXUEHHBCHNDW-UHFFFAOYSA-N 1 2 409.493 4.796 50 0 HJAALO COc1ccc(-c2coc3c(ccc4c3CN(c3ccc(C)c[nH+]3)CO4)c2=O)cc1 ZINC000013692396 558856223 /nfs/dbraw/zinc/85/62/23/558856223.db2.gz FHHMDLYFXHKBPA-UHFFFAOYSA-N 1 2 400.434 4.529 50 0 biogenic HJAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000033034489 558858525 /nfs/dbraw/zinc/85/85/25/558858525.db2.gz OMRKJOWEZDNNNU-UHFFFAOYSA-N 1 2 402.542 4.961 50 0 HJAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033034460 558858561 /nfs/dbraw/zinc/85/85/61/558858561.db2.gz QSAPJUWHUGQDHN-UHFFFAOYSA-N 1 2 408.933 4.998 50 0 HJAALO Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000055447603 558881311 /nfs/dbraw/zinc/88/13/11/558881311.db2.gz XECRCZUHNWUOJC-JOCHJYFZSA-N 1 2 403.917 4.846 50 0 HJAALO Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000055447603 558881314 /nfs/dbraw/zinc/88/13/14/558881314.db2.gz XECRCZUHNWUOJC-JOCHJYFZSA-N 1 2 403.917 4.846 50 0 HJAALO Cc1ccc(-c2cc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)on2)cc1 ZINC000033161236 558896049 /nfs/dbraw/zinc/89/60/49/558896049.db2.gz LEAHUYQWTDCFDL-HXUWFJFHSA-N 1 2 406.873 4.556 50 0 HJAALO CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)[nH+]2)cc1 ZINC000072115670 558926670 /nfs/dbraw/zinc/92/66/70/558926670.db2.gz PAIYPKVGURXAOM-UHFFFAOYSA-N 1 2 413.485 4.921 50 0 HJAALO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)[nH+]3)cc2)c(C)c1 ZINC000072119413 558928106 /nfs/dbraw/zinc/92/81/06/558928106.db2.gz JUFJEUFJNBOLEX-UHFFFAOYSA-N 1 2 413.485 4.975 50 0 HJAALO O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1C[NH+]1CCCCC1 ZINC000096602191 558981325 /nfs/dbraw/zinc/98/13/25/558981325.db2.gz DUNFUOMDAOFZIL-RCCKNPSSSA-N 1 2 408.523 4.745 50 0 HJAALO C[C@@H](NC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000033269071 558993784 /nfs/dbraw/zinc/99/37/84/558993784.db2.gz DOLFEVXQBKQDRD-ASXFNGKXSA-N 1 2 406.574 4.500 50 0 HJAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)[nH+]1 ZINC000082230533 559042768 /nfs/dbraw/zinc/04/27/68/559042768.db2.gz LVMPXMCIURADLN-UHFFFAOYSA-N 1 2 422.851 4.759 50 0 HJAALO CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000004747772 559046096 /nfs/dbraw/zinc/04/60/96/559046096.db2.gz VBIWNDBLJAQTPW-UHFFFAOYSA-N 1 2 414.571 4.879 50 0 HJAALO O=C(Cc1ccc(F)cc1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023323741 559147572 /nfs/dbraw/zinc/14/75/72/559147572.db2.gz KDGUOFWVTUDFKB-UHFFFAOYSA-N 1 2 424.466 4.580 50 0 HJAALO CCC[N@H+](CC(=O)Nc1cccc(C)c1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000003345670 560593794 /nfs/dbraw/zinc/59/37/94/560593794.db2.gz IJINTNJJWBBOHZ-UHFFFAOYSA-N 1 2 408.329 4.591 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1cccc(C)c1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000003345670 560593795 /nfs/dbraw/zinc/59/37/95/560593795.db2.gz IJINTNJJWBBOHZ-UHFFFAOYSA-N 1 2 408.329 4.591 50 0 HJAALO Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000062581090 560631757 /nfs/dbraw/zinc/63/17/57/560631757.db2.gz UOCAHDZGTXBVGX-UHFFFAOYSA-N 1 2 419.300 4.746 50 0 HJAALO C[N@H+]1CC(=Cc2ccccc2Cl)C2=NC(=S)N[C@H](c3ccccc3Cl)C2C1 ZINC000017253977 560705334 /nfs/dbraw/zinc/70/53/34/560705334.db2.gz LRZWOWVKVTUTOT-YNEJIKTKSA-N 1 2 416.377 4.795 50 0 HJAALO C[N@@H+]1CC(=Cc2ccccc2Cl)C2=NC(=S)N[C@H](c3ccccc3Cl)C2C1 ZINC000017253977 560705336 /nfs/dbraw/zinc/70/53/36/560705336.db2.gz LRZWOWVKVTUTOT-YNEJIKTKSA-N 1 2 416.377 4.795 50 0 HJAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(OC)c(-c2ccc(OC)cc2)c1 ZINC000012035377 560887276 /nfs/dbraw/zinc/88/72/76/560887276.db2.gz PKXNVGOJXCSWCG-UHFFFAOYSA-N 1 2 415.493 4.922 50 0 HJAALO CCOC(=O)C1CCN(c2c(C(=O)c3ccccc3)c[nH+]c3ccc(Cl)cc32)CC1 ZINC000020380683 568602440 /nfs/dbraw/zinc/60/24/40/568602440.db2.gz SHAMLFQIYXVUKG-UHFFFAOYSA-N 1 2 422.912 4.899 50 0 HJAALO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H](c2ccccc2)O1 ZINC000225679625 568663706 /nfs/dbraw/zinc/66/37/06/568663706.db2.gz VAADSPYFCUMQFI-MBSDFSHPSA-N 1 2 416.525 4.880 50 0 HJAALO FC(F)(F)COc1cccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000095982819 568675692 /nfs/dbraw/zinc/67/56/92/568675692.db2.gz VWKSUUIMKBPDHS-UHFFFAOYSA-N 1 2 415.459 4.625 50 0 HJAALO CCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccc(C)c4[nH+]3)ccc2C)cc1 ZINC000021173434 568676817 /nfs/dbraw/zinc/67/68/17/568676817.db2.gz PIQBQHHTBATPDU-UHFFFAOYSA-N 1 2 421.522 4.818 50 0 HJAALO CC(C)n1c2ccccc2[nH+]c1CCCCCNC(=O)c1n[nH]c2c1CCCCC2 ZINC000096231599 568707247 /nfs/dbraw/zinc/70/72/47/568707247.db2.gz APNDXYPAKMDCQD-UHFFFAOYSA-N 1 2 407.562 4.752 50 0 HJAALO Cc1ccccc1COc1coc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1=O ZINC000056949860 568821996 /nfs/dbraw/zinc/82/19/96/568821996.db2.gz NQXZSSJKNOHLQZ-UHFFFAOYSA-N 1 2 424.928 4.503 50 0 HJAALO COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029332582 568824367 /nfs/dbraw/zinc/82/43/67/568824367.db2.gz CWOOGNYKYOGEAX-QRWLVFNGSA-N 1 2 412.921 4.540 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000012530290 568844009 /nfs/dbraw/zinc/84/40/09/568844009.db2.gz NBNAQIKCJBYXIM-DEOSSOPVSA-N 1 2 410.521 4.641 50 0 HJAALO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000012535674 568845125 /nfs/dbraw/zinc/84/51/25/568845125.db2.gz GXKPMEWNQKXERZ-UHFFFAOYSA-N 1 2 417.490 4.650 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)c1ccccc1F ZINC000012535693 568845250 /nfs/dbraw/zinc/84/52/50/568845250.db2.gz XBXHNPVDBUPERM-NRFANRHFSA-N 1 2 411.546 4.855 50 0 HJAALO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)s1 ZINC000012547400 568851415 /nfs/dbraw/zinc/85/14/15/568851415.db2.gz STKPNBMJCQZHLG-QHCPKHFHSA-N 1 2 416.550 4.609 50 0 HJAALO C[C@H](c1nnc(SCC(=O)c2cc3ccccc3o2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000012564372 568859732 /nfs/dbraw/zinc/85/97/32/568859732.db2.gz RGOFPMYIIPBUSV-CQSZACIVSA-N 1 2 424.501 4.750 50 0 HJAALO COC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658695 568866849 /nfs/dbraw/zinc/86/68/49/568866849.db2.gz UBYMGLYLFMEOSF-AWEZNQCLSA-N 1 2 407.470 4.880 50 0 HJAALO Cc1nn2c(nc(NCc3ccc(Cn4cc[nH+]c4)cc3)c3ccccc32)c1Cl ZINC000012727446 568920883 /nfs/dbraw/zinc/92/08/83/568920883.db2.gz JQSCFRFRZCAYEF-UHFFFAOYSA-N 1 2 402.889 4.701 50 0 HJAALO O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000012756186 568943061 /nfs/dbraw/zinc/94/30/61/568943061.db2.gz RQGNAOWZMQHOHA-UHFFFAOYSA-N 1 2 420.419 4.712 50 0 HJAALO Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c1 ZINC000012778432 568956380 /nfs/dbraw/zinc/95/63/80/568956380.db2.gz KPOSSXGCEKSGMO-UHFFFAOYSA-N 1 2 420.542 4.729 50 0 HJAALO C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007989077 568966165 /nfs/dbraw/zinc/96/61/65/568966165.db2.gz MBNULLOTUCDEPM-INIZCTEOSA-N 1 2 416.506 4.677 50 0 HJAALO C[C@H](c1nnc(SCCOc2cccc(Cl)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000008192815 568981604 /nfs/dbraw/zinc/98/16/04/568981604.db2.gz OXGBVWKQDVGPGQ-CQSZACIVSA-N 1 2 420.941 4.854 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 ZINC000008215987 568982892 /nfs/dbraw/zinc/98/28/92/568982892.db2.gz BAQGGLURQGPFEV-JOCHJYFZSA-N 1 2 401.441 4.871 50 0 HJAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3nc4ccccc4o3)CC2)no1 ZINC000012815522 568989530 /nfs/dbraw/zinc/98/95/30/568989530.db2.gz VNWKMKBSFALBJW-JOCHJYFZSA-N 1 2 416.481 4.684 50 0 HJAALO Clc1cc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc2c1OCCO2 ZINC000008427902 569002185 /nfs/dbraw/zinc/00/21/85/569002185.db2.gz NORFAXNUNHNWJJ-UHFFFAOYSA-N 1 2 410.886 4.532 50 0 HJAALO COc1cc(OC)cc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)[nH+]c3c2)c1 ZINC000015863848 569016240 /nfs/dbraw/zinc/01/62/40/569016240.db2.gz SCRTVEFJMWCXOY-UHFFFAOYSA-N 1 2 401.466 4.618 50 0 HJAALO CSc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880257 569018008 /nfs/dbraw/zinc/01/80/08/569018008.db2.gz KYPZWPHQGJJVIN-UHFFFAOYSA-N 1 2 409.580 4.605 50 0 HJAALO CSc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880257 569018009 /nfs/dbraw/zinc/01/80/09/569018009.db2.gz KYPZWPHQGJJVIN-UHFFFAOYSA-N 1 2 409.580 4.605 50 0 HJAALO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000012943783 569028888 /nfs/dbraw/zinc/02/88/88/569028888.db2.gz RXNIQYUDULLJDN-GOSISDBHSA-N 1 2 408.329 4.953 50 0 HJAALO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000012943783 569028889 /nfs/dbraw/zinc/02/88/89/569028889.db2.gz RXNIQYUDULLJDN-GOSISDBHSA-N 1 2 408.329 4.953 50 0 HJAALO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000035414095 569036124 /nfs/dbraw/zinc/03/61/24/569036124.db2.gz DQCXKBBZDKZUQI-VWLOTQADSA-N 1 2 411.505 4.620 50 0 HJAALO COc1ccc(Br)c(C(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)c1 ZINC000090607215 569041959 /nfs/dbraw/zinc/04/19/59/569041959.db2.gz DTDIUDXWYMOVSY-UHFFFAOYSA-N 1 2 412.287 4.520 50 0 HJAALO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600923 569046246 /nfs/dbraw/zinc/04/62/46/569046246.db2.gz DQZANKNRDMSXIM-ZJUUUORDSA-N 1 2 402.766 4.960 50 0 HJAALO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600923 569046247 /nfs/dbraw/zinc/04/62/47/569046247.db2.gz DQZANKNRDMSXIM-ZJUUUORDSA-N 1 2 402.766 4.960 50 0 HJAALO COc1cccc2c(Nc3ccc([NH+](C)C)cc3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568491 569067612 /nfs/dbraw/zinc/06/76/12/569067612.db2.gz RUTLRKOENYRZIW-UHFFFAOYSA-N 1 2 404.514 4.679 50 0 HJAALO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000016689806 569070510 /nfs/dbraw/zinc/07/05/10/569070510.db2.gz VQMBSNMKVCWORP-ZENOOKHLSA-N 1 2 414.556 4.885 50 0 HJAALO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000016689806 569070511 /nfs/dbraw/zinc/07/05/11/569070511.db2.gz VQMBSNMKVCWORP-ZENOOKHLSA-N 1 2 414.556 4.885 50 0 HJAALO CC(C)[N@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccc(C(C)(C)C)cc1 ZINC000036082990 569087397 /nfs/dbraw/zinc/08/73/97/569087397.db2.gz RLEHGJLCBGVAJX-UHFFFAOYSA-N 1 2 409.530 4.906 50 0 HJAALO CC(C)[N@@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccc(C(C)(C)C)cc1 ZINC000036082990 569087399 /nfs/dbraw/zinc/08/73/99/569087399.db2.gz RLEHGJLCBGVAJX-UHFFFAOYSA-N 1 2 409.530 4.906 50 0 HJAALO O=C(c1ccc(Cl)cc1)N(Cc1[nH+]ccn1Cc1ccc(F)c(F)c1)CC1CC1 ZINC000006695312 569091643 /nfs/dbraw/zinc/09/16/43/569091643.db2.gz SDKFSHJNADJHDJ-UHFFFAOYSA-N 1 2 415.871 4.915 50 0 HJAALO CCNC(=O)c1cccc(CSc2nc(N(C)C3CCCCC3)cc(CC)[nH+]2)c1 ZINC000006765338 569114519 /nfs/dbraw/zinc/11/45/19/569114519.db2.gz PWWNREHDFDHXRG-UHFFFAOYSA-N 1 2 412.603 4.850 50 0 HJAALO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000036348534 569144633 /nfs/dbraw/zinc/14/46/33/569144633.db2.gz QFMBDKNTMWCELH-HSZRJFAPSA-N 1 2 422.525 4.518 50 0 HJAALO COc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000036348534 569144634 /nfs/dbraw/zinc/14/46/34/569144634.db2.gz QFMBDKNTMWCELH-HSZRJFAPSA-N 1 2 422.525 4.518 50 0 HJAALO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000065184111 569191164 /nfs/dbraw/zinc/19/11/64/569191164.db2.gz FYOHJIAVWXYEPB-UHFFFAOYSA-N 1 2 410.905 4.517 50 0 HJAALO COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2nc(N(C)C)cc(C)[nH+]2)cc1 ZINC000017013236 569271688 /nfs/dbraw/zinc/27/16/88/569271688.db2.gz JHHHSGYKBKIUBG-UHFFFAOYSA-N 1 2 411.893 4.509 50 0 HJAALO CCCn1c2ccc(N)cc2[nH+]c1-c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000252496726 569290992 /nfs/dbraw/zinc/29/09/92/569290992.db2.gz PQDAWRWPBCIUNX-UHFFFAOYSA-N 1 2 420.538 4.805 50 0 HJAALO c1csc(-c2nnc(SCc3c[nH+]c4ccccn34)n2Cc2ccccc2)c1 ZINC000079105079 569427594 /nfs/dbraw/zinc/42/75/94/569427594.db2.gz BYOYGATWPVLIHI-UHFFFAOYSA-N 1 2 403.536 4.995 50 0 HJAALO O[C@@]1(C(F)(F)F)C=C(c2ccco2)[NH2+]N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000008750639 571112185 /nfs/dbraw/zinc/11/21/85/571112185.db2.gz PTYCFUFFLJHESN-MRXNPFEDSA-N 1 2 413.808 4.922 50 0 HJAALO O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000069925479 571250000 /nfs/dbraw/zinc/25/00/00/571250000.db2.gz OEDFIJGTISRUGP-UHFFFAOYSA-N 1 2 419.510 4.569 50 0 HJAALO Cc1cc(SCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc2ccccc12 ZINC000009466699 571261148 /nfs/dbraw/zinc/26/11/48/571261148.db2.gz DSKFTJNXHVXEPB-KRWDZBQOSA-N 1 2 402.523 4.698 50 0 HJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)n1 ZINC000009573408 571269234 /nfs/dbraw/zinc/26/92/34/571269234.db2.gz CYNOBQJDGNUHIY-UHFFFAOYSA-N 1 2 411.456 4.905 50 0 HJAALO COc1cccc(CC(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)c1 ZINC000004757600 132287869 /nfs/dbraw/zinc/28/78/69/132287869.db2.gz DAHUIHLRTRGEPZ-UHFFFAOYSA-N 1 2 403.526 4.969 50 0 HJAALO CCc1cc(N2CCCC[C@H]2C)nc(SCc2cccc(C(=O)NCC3CC3)c2)[nH+]1 ZINC000006765330 132315285 /nfs/dbraw/zinc/31/52/85/132315285.db2.gz NVSJHNUUQYLOGF-QGZVFWFLSA-N 1 2 424.614 4.850 50 0 HJAALO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009532123 132340863 /nfs/dbraw/zinc/34/08/63/132340863.db2.gz NNOLECZHTOPCSO-MRXNPFEDSA-N 1 2 418.928 4.822 50 0 HJAALO O=C(c1ccccc1)c1c[nH+]c2ccc(F)cc2c1N1CCN(c2ccccc2)CC1 ZINC000012437894 132360110 /nfs/dbraw/zinc/36/01/10/132360110.db2.gz QIGNTVWYOHRLRZ-UHFFFAOYSA-N 1 2 411.480 4.932 50 0 HJAALO FC(F)(F)c1cccc(-c2noc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)n2)c1 ZINC000012990724 132451143 /nfs/dbraw/zinc/45/11/43/132451143.db2.gz JPDQEECEAQMCFO-UHFFFAOYSA-N 1 2 422.838 4.731 50 0 HJAALO CC1CCN(c2nc(Nc3ccc(Cl)cc3)nc(N3CCC(C)CC3)[nH+]2)CC1 ZINC000000848427 521045562 /nfs/dbraw/zinc/04/55/62/521045562.db2.gz SOZIOMGXMYXFBY-UHFFFAOYSA-N 1 2 400.958 4.741 50 0 HJAALO COc1ccc2cc([C@H](C)C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)ccc2c1 ZINC000032830708 525641000 /nfs/dbraw/zinc/64/10/00/525641000.db2.gz FBUADDGIKLEDFL-HJPURHCSSA-N 1 2 417.484 4.730 50 0 HJAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)c(C)c1 ZINC000001070473 557169042 /nfs/dbraw/zinc/16/90/42/557169042.db2.gz JTTXRNQRJFJENZ-UHFFFAOYSA-N 1 2 414.513 4.531 50 0 HJAALO CNC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc2oc3ccccc3c2c1 ZINC000001428653 557262027 /nfs/dbraw/zinc/26/20/27/557262027.db2.gz MIWZTLXVWVAEIK-QHCPKHFHSA-N 1 2 408.461 4.971 50 0 HJAALO CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)c[nH+]c3ccc(OC)cc32)cc1 ZINC000001772999 557286185 /nfs/dbraw/zinc/28/61/85/557286185.db2.gz SHGOSNKKLRDTNB-UHFFFAOYSA-N 1 2 408.454 4.731 50 0 HJAALO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=[NH+]3)cc1 ZINC000002247551 557331119 /nfs/dbraw/zinc/33/11/19/557331119.db2.gz GWPOHHYTADEDPK-XZOQPEGZSA-N 1 2 414.415 4.769 50 0 HJAALO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000004741997 557590870 /nfs/dbraw/zinc/59/08/70/557590870.db2.gz AWAHGSLTRIODQF-QHCPKHFHSA-N 1 2 410.477 4.973 50 0 HJAALO COc1ccc(-c2c(=O)c3ccc(OC)c(C[NH+](C)C)c3oc2C(F)(F)F)cc1 ZINC000005674787 557668135 /nfs/dbraw/zinc/66/81/35/557668135.db2.gz PFRYVLDJMSGGST-UHFFFAOYSA-N 1 2 407.388 4.558 50 0 HJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000008746629 557805277 /nfs/dbraw/zinc/80/52/77/557805277.db2.gz SMOPSNBJTQYGDF-OAQYLSRUSA-N 1 2 424.426 4.823 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1)S2 ZINC000022853097 557840032 /nfs/dbraw/zinc/84/00/32/557840032.db2.gz VJBPNYPKZVWOSQ-HNNXBMFYSA-N 1 2 410.465 4.653 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000022853897 557840500 /nfs/dbraw/zinc/84/05/00/557840500.db2.gz JXOOTDTXDUCOPV-IIYDPXPESA-N 1 2 404.967 4.780 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000022853897 557840502 /nfs/dbraw/zinc/84/05/02/557840502.db2.gz JXOOTDTXDUCOPV-IIYDPXPESA-N 1 2 404.967 4.780 50 0 HJAALO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019720738 558258947 /nfs/dbraw/zinc/25/89/47/558258947.db2.gz YWGHGCJAMJLCIC-JXMROGBWSA-N 1 2 421.928 4.775 50 0 HJAALO Cc1ccc(-c2nn(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)c(=S)o2)cc1 ZINC000022918080 558260974 /nfs/dbraw/zinc/26/09/74/558260974.db2.gz DRVIWJPWDJMLHO-UHFFFAOYSA-N 1 2 414.962 4.610 50 0 HJAALO COc1ccc(Cc2noc(C[N@H+](C)Cc3cc4ccccc4s3)n2)cc1OC ZINC000019760073 558276138 /nfs/dbraw/zinc/27/61/38/558276138.db2.gz UMYBLIKILFLCFP-UHFFFAOYSA-N 1 2 409.511 4.524 50 0 HJAALO COc1ccc(Cc2noc(C[N@@H+](C)Cc3cc4ccccc4s3)n2)cc1OC ZINC000019760073 558276140 /nfs/dbraw/zinc/27/61/40/558276140.db2.gz UMYBLIKILFLCFP-UHFFFAOYSA-N 1 2 409.511 4.524 50 0 HJAALO CCOC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000019810213 558286712 /nfs/dbraw/zinc/28/67/12/558286712.db2.gz OAENEQKEMHFNNY-RUZDIDTESA-N 1 2 401.506 4.756 50 0 HJAALO CCOC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000019810213 558286715 /nfs/dbraw/zinc/28/67/15/558286715.db2.gz OAENEQKEMHFNNY-RUZDIDTESA-N 1 2 401.506 4.756 50 0 HJAALO COc1ccccc1OCCn1c2ccccc2n(Cc2ccccc2Cl)c1=[NH2+] ZINC000019900346 558305144 /nfs/dbraw/zinc/30/51/44/558305144.db2.gz OCPPYMYGMCIAQC-UHFFFAOYSA-N 1 2 407.901 4.712 50 0 HJAALO Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020289841 558353994 /nfs/dbraw/zinc/35/39/94/558353994.db2.gz OPZZLGCMFRQZFT-UHFFFAOYSA-N 1 2 414.534 4.689 50 0 aggregator HJAALO Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020289841 558353996 /nfs/dbraw/zinc/35/39/96/558353996.db2.gz OPZZLGCMFRQZFT-UHFFFAOYSA-N 1 2 414.534 4.689 50 0 aggregator HJAALO COc1ccc(-c2nc(C[N@H+](Cc3c(C)nn(C)c3C)C3CC3)c(C)o2)c(C)c1C ZINC000012298149 558368174 /nfs/dbraw/zinc/36/81/74/558368174.db2.gz ZRBCBNGELYCIJH-UHFFFAOYSA-N 1 2 408.546 4.790 50 0 HJAALO COc1ccc(-c2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C3CC3)c(C)o2)c(C)c1C ZINC000012298149 558368176 /nfs/dbraw/zinc/36/81/76/558368176.db2.gz ZRBCBNGELYCIJH-UHFFFAOYSA-N 1 2 408.546 4.790 50 0 HJAALO COc1ccc(C(=O)C[N@H+]2c3ccccc3N(Cc3ccc(Cl)cc3)C2=N)cc1 ZINC000020840503 558417033 /nfs/dbraw/zinc/41/70/33/558417033.db2.gz BQLBYGQZWJVHOI-UHFFFAOYSA-N 1 2 405.885 4.515 50 0 HJAALO COc1ccc(C(=O)C[N@@H+]2c3ccccc3N(Cc3ccc(Cl)cc3)C2=N)cc1 ZINC000020840503 558417035 /nfs/dbraw/zinc/41/70/35/558417035.db2.gz BQLBYGQZWJVHOI-UHFFFAOYSA-N 1 2 405.885 4.515 50 0 HJAALO COc1cccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(OC(C)C)cc2)C3)c1 ZINC000021038464 558430115 /nfs/dbraw/zinc/43/01/15/558430115.db2.gz OEYAGGRHZONKAZ-UHFFFAOYSA-N 1 2 404.514 4.574 50 0 HJAALO COc1cccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(OC(C)C)cc2)C3)c1 ZINC000021038464 558430118 /nfs/dbraw/zinc/43/01/18/558430118.db2.gz OEYAGGRHZONKAZ-UHFFFAOYSA-N 1 2 404.514 4.574 50 0 HJAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NCCc1c[nH]c2ccccc12 ZINC000004354842 558440032 /nfs/dbraw/zinc/44/00/32/558440032.db2.gz NPQXYCMEFDOYHU-UHFFFAOYSA-N 1 2 402.889 4.913 50 0 HJAALO COc1cccc(C[N@H+](C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)c1 ZINC000012984418 558494839 /nfs/dbraw/zinc/49/48/39/558494839.db2.gz FCIVHIHTZJMJAI-UHFFFAOYSA-N 1 2 419.550 4.909 50 0 HJAALO COc1cccc(C[N@@H+](C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)c1 ZINC000012984418 558494842 /nfs/dbraw/zinc/49/48/42/558494842.db2.gz FCIVHIHTZJMJAI-UHFFFAOYSA-N 1 2 419.550 4.909 50 0 HJAALO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000022800032 558512913 /nfs/dbraw/zinc/51/29/13/558512913.db2.gz KBPFNQCELIMBOJ-XMMPIXPASA-N 1 2 419.594 4.863 50 0 HJAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4CC[C@H]5CCCC[C@H]5C4)cc3)cn2c1 ZINC000023233250 558544005 /nfs/dbraw/zinc/54/40/05/558544005.db2.gz ZNKUVEYZUAZQOY-CTNGQTDRSA-N 1 2 403.526 4.874 50 0 HJAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12 ZINC000023883179 558580437 /nfs/dbraw/zinc/58/04/37/558580437.db2.gz ADDFQFSAAUPMPW-CYBMUJFWSA-N 1 2 410.930 4.566 50 0 HJAALO O=c1[nH]c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12 ZINC000023883179 558580440 /nfs/dbraw/zinc/58/04/40/558580440.db2.gz ADDFQFSAAUPMPW-CYBMUJFWSA-N 1 2 410.930 4.566 50 0 HJAALO CCc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)n2)cc1 ZINC000072232573 558631086 /nfs/dbraw/zinc/63/10/86/558631086.db2.gz UHARWKULXBXPBB-JOCHJYFZSA-N 1 2 421.566 4.509 50 0 HJAALO C[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329187 558638249 /nfs/dbraw/zinc/63/82/49/558638249.db2.gz BIFGJZQFTVKJMP-IFXJQAMLSA-N 1 2 424.397 4.742 50 0 HJAALO Fc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=[NH+]3)c1 ZINC000025783679 558650105 /nfs/dbraw/zinc/65/01/05/558650105.db2.gz LOMYIKGLNOYMGK-XZOQPEGZSA-N 1 2 414.415 4.769 50 0 HJAALO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028289018 558695777 /nfs/dbraw/zinc/69/57/77/558695777.db2.gz JKQUCPHEGWVBLH-FQEVSTJZSA-N 1 2 424.928 4.630 50 0 HJAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)CCOc2ccc(Cl)cc2)o1 ZINC000015449772 558740475 /nfs/dbraw/zinc/74/04/75/558740475.db2.gz JXDJPGSPPZQVFT-UHFFFAOYSA-N 1 2 424.888 4.864 50 0 HJAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)CCOc2ccc(Cl)cc2)o1 ZINC000015449772 558740477 /nfs/dbraw/zinc/74/04/77/558740477.db2.gz JXDJPGSPPZQVFT-UHFFFAOYSA-N 1 2 424.888 4.864 50 0 HJAALO O=c1cc(C[N@@H+]2CCc3ccccc3C2)occ1OCc1ccc(C(F)(F)F)cc1 ZINC000004583978 558774570 /nfs/dbraw/zinc/77/45/70/558774570.db2.gz GHLFBEYUYPWARW-UHFFFAOYSA-N 1 2 415.411 4.796 50 0 HJAALO O=c1cc(C[N@H+]2CCc3ccccc3C2)occ1OCc1ccc(C(F)(F)F)cc1 ZINC000004583978 558774572 /nfs/dbraw/zinc/77/45/72/558774572.db2.gz GHLFBEYUYPWARW-UHFFFAOYSA-N 1 2 415.411 4.796 50 0 HJAALO Cc1nc2cc(C(=O)Nc3nc(C[NH+]4CCCC4)cs3)ccc2n1-c1ccccc1 ZINC000032978582 558803555 /nfs/dbraw/zinc/80/35/55/558803555.db2.gz UQVQZBQJCASAMN-UHFFFAOYSA-N 1 2 417.538 4.639 50 0 HJAALO COc1ccc(CCC(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)cc1 ZINC000033020522 558836731 /nfs/dbraw/zinc/83/67/31/558836731.db2.gz XGLARGLMWFCSQY-UHFFFAOYSA-N 1 2 413.521 4.938 50 0 HJAALO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2cccc(F)c2)C3)cc1OC ZINC000055154866 558874429 /nfs/dbraw/zinc/87/44/29/558874429.db2.gz XWUSFPXFLXUSGD-UHFFFAOYSA-N 1 2 423.484 4.913 50 0 HJAALO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2cccc(F)c2)C3)cc1OC ZINC000055154866 558874432 /nfs/dbraw/zinc/87/44/32/558874432.db2.gz XWUSFPXFLXUSGD-UHFFFAOYSA-N 1 2 423.484 4.913 50 0 HJAALO CSc1ccc(-c2nc(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)o2)cc1 ZINC000055569072 558882876 /nfs/dbraw/zinc/88/28/76/558882876.db2.gz YNBFOSQYGGHCJA-UHFFFAOYSA-N 1 2 421.566 4.897 50 0 HJAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000058020079 558895909 /nfs/dbraw/zinc/89/59/09/558895909.db2.gz DOIQTBXTFQGCSY-AWEZNQCLSA-N 1 2 403.313 4.927 50 0 HJAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000058123505 558899975 /nfs/dbraw/zinc/89/99/75/558899975.db2.gz YHIWGDMDXLMEFH-UHFFFAOYSA-N 1 2 421.928 4.893 50 0 HJAALO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000058143684 558901644 /nfs/dbraw/zinc/90/16/44/558901644.db2.gz FSEMFGGOALFGIN-HOTGVXAUSA-N 1 2 405.567 4.960 50 0 HJAALO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000058143684 558901646 /nfs/dbraw/zinc/90/16/46/558901646.db2.gz FSEMFGGOALFGIN-HOTGVXAUSA-N 1 2 405.567 4.960 50 0 HJAALO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000072408789 558977447 /nfs/dbraw/zinc/97/74/47/558977447.db2.gz KCJIGZQMMSRNHN-UHFFFAOYSA-N 1 2 404.539 4.987 50 0 HJAALO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000072408789 558977449 /nfs/dbraw/zinc/97/74/49/558977449.db2.gz KCJIGZQMMSRNHN-UHFFFAOYSA-N 1 2 404.539 4.987 50 0 HJAALO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@H+](C)Cc3ccon3)cc12 ZINC000072463725 558983357 /nfs/dbraw/zinc/98/33/57/558983357.db2.gz UVTPIKIIIHWDMT-UHFFFAOYSA-N 1 2 403.482 4.847 50 0 HJAALO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@@H+](C)Cc3ccon3)cc12 ZINC000072463725 558983359 /nfs/dbraw/zinc/98/33/59/558983359.db2.gz UVTPIKIIIHWDMT-UHFFFAOYSA-N 1 2 403.482 4.847 50 0 HJAALO CCC[N@H+](Cc1nnc(-c2cccs2)o1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000097981902 559003821 /nfs/dbraw/zinc/00/38/21/559003821.db2.gz LCQJGLIXCHRUPM-UHFFFAOYSA-N 1 2 421.522 4.805 50 0 HJAALO CCC[N@@H+](Cc1nnc(-c2cccs2)o1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000097981902 559003822 /nfs/dbraw/zinc/00/38/22/559003822.db2.gz LCQJGLIXCHRUPM-UHFFFAOYSA-N 1 2 421.522 4.805 50 0 HJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(O)c2)cc1 ZINC000004731522 559032723 /nfs/dbraw/zinc/03/27/23/559032723.db2.gz GFPYNSYXEUQWKR-HSZRJFAPSA-N 1 2 410.477 4.978 50 0 HJAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4c(C)cccc4Cl)CC3)no2)c1 ZINC000033327692 559060450 /nfs/dbraw/zinc/06/04/50/559060450.db2.gz NDNZMHYFGXZYSK-UHFFFAOYSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4c(C)cc(C)cc4C)CC3)no2)c1 ZINC000033327689 559060488 /nfs/dbraw/zinc/06/04/88/559060488.db2.gz PJFVFAPTYFARHY-UHFFFAOYSA-N 1 2 418.541 4.821 50 0 HJAALO Brc1cccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)c1 ZINC000096769458 559112263 /nfs/dbraw/zinc/11/22/63/559112263.db2.gz KYUSTKYOXPSKCA-UHFFFAOYSA-N 1 2 424.180 4.529 50 0 HJAALO O=C(Cc1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023310744 559114572 /nfs/dbraw/zinc/11/45/72/559114572.db2.gz MXVPRDAYOYNSHV-RUZDIDTESA-N 1 2 404.941 4.816 50 0 HJAALO Cc1nn2c(nc(C(C)C)cc2N2CCN(c3cccc[nH+]3)CC2)c1-c1ccccc1 ZINC000101212497 559144027 /nfs/dbraw/zinc/14/40/27/559144027.db2.gz ORPBHPCDRSTPAS-UHFFFAOYSA-N 1 2 412.541 4.550 50 0 HJAALO Cc1c2cc(CNC(=O)CC3=CSC4=[NH+]CCN34)ccc2[nH]c1-c1ccc(F)cc1 ZINC000102121991 559149344 /nfs/dbraw/zinc/14/93/44/559149344.db2.gz NSGOTFIAEKTOSW-UHFFFAOYSA-N 1 2 420.513 4.549 50 0 HJAALO COc1ccc(Br)cc1C[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000024371689 560759267 /nfs/dbraw/zinc/75/92/67/560759267.db2.gz OVNOMDUVUGPBSN-UHFFFAOYSA-N 1 2 405.267 4.884 50 0 HJAALO COc1ccc(Br)cc1C[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000024371689 560759268 /nfs/dbraw/zinc/75/92/68/560759268.db2.gz OVNOMDUVUGPBSN-UHFFFAOYSA-N 1 2 405.267 4.884 50 0 HJAALO CC(C)c1ccc(OCc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)cc1 ZINC000018166946 560780691 /nfs/dbraw/zinc/78/06/91/560780691.db2.gz HXZJLXOBJVKRCC-UHFFFAOYSA-N 1 2 415.537 4.746 50 0 HJAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000102894406 560833263 /nfs/dbraw/zinc/83/32/63/560833263.db2.gz YVOANIYRTYKMGW-CRAIPNDOSA-N 1 2 408.527 4.886 50 0 HJAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000102894406 560833265 /nfs/dbraw/zinc/83/32/65/560833265.db2.gz YVOANIYRTYKMGW-CRAIPNDOSA-N 1 2 408.527 4.886 50 0 HJAALO CC(C)[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000048235010 568432680 /nfs/dbraw/zinc/43/26/80/568432680.db2.gz QOAVQKADLCZASQ-FQEVSTJZSA-N 1 2 417.538 4.595 50 0 HJAALO O=C(NCc1ccccc1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020442776 568607805 /nfs/dbraw/zinc/60/78/05/568607805.db2.gz RFPCNQJIUZMCDW-UHFFFAOYSA-N 1 2 421.491 4.582 50 0 HJAALO Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NC2CCCC2)CC1 ZINC000021160114 568674497 /nfs/dbraw/zinc/67/44/97/568674497.db2.gz CKWVXQZNRAKONI-UHFFFAOYSA-N 1 2 416.569 4.668 50 0 HJAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)no2)cc1 ZINC000021724471 568750982 /nfs/dbraw/zinc/75/09/82/568750982.db2.gz RQMWRHJOWNCREQ-UHFFFAOYSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C)cc4C)C3)no2)cc1 ZINC000021724628 568751362 /nfs/dbraw/zinc/75/13/62/568751362.db2.gz BHFXOYMMYKYMLV-HXUWFJFHSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C)cc4C)C3)no2)cc1 ZINC000021724628 568751365 /nfs/dbraw/zinc/75/13/65/568751365.db2.gz BHFXOYMMYKYMLV-HXUWFJFHSA-N 1 2 404.514 4.513 50 0 HJAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2ncn(-c3ccc(OC)cc3)c2=S)cc1 ZINC000012587395 568867499 /nfs/dbraw/zinc/86/74/99/568867499.db2.gz YPIFGYZYUDGZQY-NRFANRHFSA-N 1 2 410.543 4.605 50 0 HJAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2ncn(-c3ccc(OC)cc3)c2=S)cc1 ZINC000012587395 568867501 /nfs/dbraw/zinc/86/75/01/568867501.db2.gz YPIFGYZYUDGZQY-NRFANRHFSA-N 1 2 410.543 4.605 50 0 HJAALO C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000003376215 568891331 /nfs/dbraw/zinc/89/13/31/568891331.db2.gz HSSGSUOZYDUZBF-GJZGRUSLSA-N 1 2 414.962 4.907 50 0 HJAALO COC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000003658664 568923312 /nfs/dbraw/zinc/92/33/12/568923312.db2.gz YEHPLVBKAJAQRA-AWEZNQCLSA-N 1 2 407.470 4.880 50 0 aggregator HJAALO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000008092637 568973458 /nfs/dbraw/zinc/97/34/58/568973458.db2.gz JLZBMHGZPSOVOG-UHFFFAOYSA-N 1 2 401.510 4.626 50 0 HJAALO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000008092637 568973460 /nfs/dbraw/zinc/97/34/60/568973460.db2.gz JLZBMHGZPSOVOG-UHFFFAOYSA-N 1 2 401.510 4.626 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cn2nc(C)n(Cc3ccccc3)c2=S)c1 ZINC000008151147 568977449 /nfs/dbraw/zinc/97/74/49/568977449.db2.gz VRLGIBHFUBATJW-NRFANRHFSA-N 1 2 424.570 4.583 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cn2nc(C)n(Cc3ccccc3)c2=S)c1 ZINC000008151147 568977451 /nfs/dbraw/zinc/97/74/51/568977451.db2.gz VRLGIBHFUBATJW-NRFANRHFSA-N 1 2 424.570 4.583 50 0 HJAALO Cc1ccc(C)c(C(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000008188660 568980864 /nfs/dbraw/zinc/98/08/64/568980864.db2.gz DDXHJXZOFSXXSO-MRXNPFEDSA-N 1 2 412.534 4.621 50 0 HJAALO C[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000008327191 568991964 /nfs/dbraw/zinc/99/19/64/568991964.db2.gz GXDFTOBXGNBMHN-UHFFFAOYSA-N 1 2 410.521 4.669 50 0 HJAALO C[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000008327191 568991967 /nfs/dbraw/zinc/99/19/67/568991967.db2.gz GXDFTOBXGNBMHN-UHFFFAOYSA-N 1 2 410.521 4.669 50 0 HJAALO COc1ccccc1C[N@H+](C)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000012875333 569013593 /nfs/dbraw/zinc/01/35/93/569013593.db2.gz HCDCSADOCJNCJH-UHFFFAOYSA-N 1 2 419.550 4.909 50 0 HJAALO COc1ccccc1C[N@@H+](C)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000012875333 569013594 /nfs/dbraw/zinc/01/35/94/569013594.db2.gz HCDCSADOCJNCJH-UHFFFAOYSA-N 1 2 419.550 4.909 50 0 HJAALO Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4ccccc4F)cc3)[nH+]c2c1 ZINC000015870710 569017429 /nfs/dbraw/zinc/01/74/29/569017429.db2.gz FZUTZFIRTRMGJJ-UHFFFAOYSA-N 1 2 409.486 4.596 50 0 HJAALO Cc1cc(C)n(-c2ccc(=S)n(C[NH+]3CCC(CCc4ccccc4)CC3)n2)n1 ZINC000012944618 569028942 /nfs/dbraw/zinc/02/89/42/569028942.db2.gz XEWIZMXOHGZNAM-UHFFFAOYSA-N 1 2 407.587 4.717 50 0 HJAALO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4Cl)c3)CC2)cc1C ZINC000035404360 569035732 /nfs/dbraw/zinc/03/57/32/569035732.db2.gz LHKXAKFEXHKENP-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4Cl)c3)CC2)cc1C ZINC000035404360 569035733 /nfs/dbraw/zinc/03/57/33/569035733.db2.gz LHKXAKFEXHKENP-UHFFFAOYSA-N 1 2 420.944 4.870 50 0 HJAALO Cc1cc(OCc2ccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)cc2)cc(C)c1Cl ZINC000006412757 569046874 /nfs/dbraw/zinc/04/68/74/569046874.db2.gz XJFCTOORLXUQAT-UHFFFAOYSA-N 1 2 404.861 4.517 50 0 HJAALO CC1CC[NH+](Cc2csc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)n2)CC1 ZINC000012999305 569049237 /nfs/dbraw/zinc/04/92/37/569049237.db2.gz QNRFKUVFMKLVOU-UHFFFAOYSA-N 1 2 414.575 4.612 50 0 HJAALO O=C(c1c[nH+]c2ccccc2c1Nc1ccc(F)c(Cl)c1)N1CCSCC1 ZINC000064471853 569063495 /nfs/dbraw/zinc/06/34/95/569063495.db2.gz GQPJDBJMLZYKIQ-UHFFFAOYSA-N 1 2 401.894 4.960 50 0 HJAALO Cc1ccc([C@@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000016689796 569070545 /nfs/dbraw/zinc/07/05/45/569070545.db2.gz YVOANIYRTYKMGW-QAPCUYQASA-N 1 2 408.527 4.886 50 0 HJAALO Cc1ccc([C@@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000016689796 569070546 /nfs/dbraw/zinc/07/05/46/569070546.db2.gz YVOANIYRTYKMGW-QAPCUYQASA-N 1 2 408.527 4.886 50 0 HJAALO CCOc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)cc1 ZINC000006609232 569071955 /nfs/dbraw/zinc/07/19/55/569071955.db2.gz UPWTTZOMRZQXQQ-UHFFFAOYSA-N 1 2 400.482 4.686 50 0 HJAALO CCCC[C@H]1CCCN1C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426389275 569072619 /nfs/dbraw/zinc/07/26/19/569072619.db2.gz PRVKIVFDGVRKLD-KRWDZBQOSA-N 1 2 401.576 4.706 50 0 HJAALO CCCC[C@H]1CCCN1C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426389275 569072620 /nfs/dbraw/zinc/07/26/20/569072620.db2.gz PRVKIVFDGVRKLD-KRWDZBQOSA-N 1 2 401.576 4.706 50 0 HJAALO CCCC[C@@H]1CCCN1C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426389276 569072664 /nfs/dbraw/zinc/07/26/64/569072664.db2.gz PRVKIVFDGVRKLD-QGZVFWFLSA-N 1 2 401.576 4.706 50 0 HJAALO CCCC[C@@H]1CCCN1C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426389276 569072665 /nfs/dbraw/zinc/07/26/65/569072665.db2.gz PRVKIVFDGVRKLD-QGZVFWFLSA-N 1 2 401.576 4.706 50 0 HJAALO Cc1cc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)[nH+]c2ccccc12 ZINC000426395156 569072702 /nfs/dbraw/zinc/07/27/02/569072702.db2.gz JBMQFFAJNVILHO-RUZDIDTESA-N 1 2 403.501 4.701 50 0 HJAALO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000006638217 569077264 /nfs/dbraw/zinc/07/72/64/569077264.db2.gz CZIOUGBWFBOVFG-IBGZPJMESA-N 1 2 403.526 4.826 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000006638217 569077266 /nfs/dbraw/zinc/07/72/66/569077266.db2.gz CZIOUGBWFBOVFG-IBGZPJMESA-N 1 2 403.526 4.826 50 0 HJAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)c(C)c1 ZINC000036073577 569086896 /nfs/dbraw/zinc/08/68/96/569086896.db2.gz TWGSMLYEMUOSLF-LJQANCHMSA-N 1 2 403.526 4.947 50 0 HJAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)c(C)c1 ZINC000036073577 569086897 /nfs/dbraw/zinc/08/68/97/569086897.db2.gz TWGSMLYEMUOSLF-LJQANCHMSA-N 1 2 403.526 4.947 50 0 HJAALO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)Cc2ccccc2)c1 ZINC000036073727 569086909 /nfs/dbraw/zinc/08/69/09/569086909.db2.gz ZRCLDASIORIXJN-UHFFFAOYSA-N 1 2 405.542 4.880 50 0 HJAALO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)Cc2ccccc2)c1 ZINC000036073727 569086910 /nfs/dbraw/zinc/08/69/10/569086910.db2.gz ZRCLDASIORIXJN-UHFFFAOYSA-N 1 2 405.542 4.880 50 0 HJAALO O=C(Cc1ccc(Cl)cc1)NCCn1c(CCc2ccccc2)[nH+]c2ccccc21 ZINC000064888005 569115273 /nfs/dbraw/zinc/11/52/73/569115273.db2.gz GGKCEYDBAMYISF-UHFFFAOYSA-N 1 2 417.940 4.834 50 0 HJAALO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccs4)no3)CC2)c(Cl)c1 ZINC000065184208 569191379 /nfs/dbraw/zinc/19/13/79/569191379.db2.gz KSKSPPHGDLLWLH-UHFFFAOYSA-N 1 2 416.934 4.578 50 0 HJAALO Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1cccnc1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065291967 569217693 /nfs/dbraw/zinc/21/76/93/569217693.db2.gz GLFSNRFQYZGGPS-JOCHJYFZSA-N 1 2 419.500 4.658 50 0 HJAALO Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1cccnc1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065291967 569217694 /nfs/dbraw/zinc/21/76/94/569217694.db2.gz GLFSNRFQYZGGPS-JOCHJYFZSA-N 1 2 419.500 4.658 50 0 HJAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037224307 569240829 /nfs/dbraw/zinc/24/08/29/569240829.db2.gz MWCSZCYOAHNCCF-GJZGRUSLSA-N 1 2 420.340 4.671 50 0 HJAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037224307 569240830 /nfs/dbraw/zinc/24/08/30/569240830.db2.gz MWCSZCYOAHNCCF-GJZGRUSLSA-N 1 2 420.340 4.671 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000007717472 569301910 /nfs/dbraw/zinc/30/19/10/569301910.db2.gz YJCQYBUTPCGMLQ-GOSISDBHSA-N 1 2 409.313 4.786 50 0 HJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000007717472 569301911 /nfs/dbraw/zinc/30/19/11/569301911.db2.gz YJCQYBUTPCGMLQ-GOSISDBHSA-N 1 2 409.313 4.786 50 0 HJAALO Cc1ccc(-n2c(SCc3cn4cccc(C)c4[nH+]3)nc3ccccc3c2=O)cc1 ZINC000007755918 569307221 /nfs/dbraw/zinc/30/72/21/569307221.db2.gz DYIULECKNPGUOW-UHFFFAOYSA-N 1 2 412.518 4.943 50 0 HJAALO Cc1c(Cl)cccc1NC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000002451599 569405630 /nfs/dbraw/zinc/40/56/30/569405630.db2.gz GXBRBZAVHRIVFH-UHFFFAOYSA-N 1 2 423.929 4.567 50 0 HJAALO CCn1c(=S)n(C[N@H+](C)Cc2ccc(OC)cc2)nc1-c1ccc(Cl)cc1 ZINC000013072637 569408667 /nfs/dbraw/zinc/40/86/67/569408667.db2.gz ZAPJODIGMYFOCF-UHFFFAOYSA-N 1 2 402.951 4.852 50 0 HJAALO CCn1c(=S)n(C[N@@H+](C)Cc2ccc(OC)cc2)nc1-c1ccc(Cl)cc1 ZINC000013072637 569408668 /nfs/dbraw/zinc/40/86/68/569408668.db2.gz ZAPJODIGMYFOCF-UHFFFAOYSA-N 1 2 402.951 4.852 50 0 HJAALO CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000078699014 569417556 /nfs/dbraw/zinc/41/75/56/569417556.db2.gz QOVZAYLBCAZFNF-UHFFFAOYSA-N 1 2 406.408 4.584 50 0 HJAALO O=C(c1c[nH+]c2ccc(F)cc2c1N1CC=C(c2ccccc2)CC1)N1CCCC1 ZINC000067287958 571065793 /nfs/dbraw/zinc/06/57/93/571065793.db2.gz LKWDRVYYBZQVRD-UHFFFAOYSA-N 1 2 401.485 4.904 50 0 HJAALO COc1ccc(C[N@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1OC ZINC000008692946 571102311 /nfs/dbraw/zinc/10/23/11/571102311.db2.gz KYJGANMMKPHTHR-UHFFFAOYSA-N 1 2 421.522 4.713 50 0 HJAALO COc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1OC ZINC000008692946 571102312 /nfs/dbraw/zinc/10/23/12/571102312.db2.gz KYJGANMMKPHTHR-UHFFFAOYSA-N 1 2 421.522 4.713 50 0 HJAALO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1 ZINC000040037394 571141708 /nfs/dbraw/zinc/14/17/08/571141708.db2.gz YDMKMPJFQMBPQC-KRWDZBQOSA-N 1 2 405.498 4.710 50 0 HJAALO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1cc(C)[nH+]c2ccccc12 ZINC000009228210 571239369 /nfs/dbraw/zinc/23/93/69/571239369.db2.gz SJUJZRQFBNEVBC-UHFFFAOYSA-N 1 2 423.494 4.624 50 0 HJAALO Cc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)c1C ZINC000009517694 571265412 /nfs/dbraw/zinc/26/54/12/571265412.db2.gz DQWNXMRCGJVKLS-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000071849883 571303438 /nfs/dbraw/zinc/30/34/38/571303438.db2.gz NFSNAZRHJJUWGB-INIZCTEOSA-N 1 2 412.490 4.538 50 0 HJAALO Cc1ccc([C@H](CNc2ncnc3scc(-c4ccccc4)c32)[NH+]2CCOCC2)o1 ZINC000071873524 571303992 /nfs/dbraw/zinc/30/39/92/571303992.db2.gz JHPAIQQRUOFCNN-IBGZPJMESA-N 1 2 420.538 4.745 50 0 HJAALO COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1OC ZINC000004563085 132278495 /nfs/dbraw/zinc/27/84/95/132278495.db2.gz BWDAURZJDFZQQM-UHFFFAOYSA-N 1 2 405.498 4.803 50 0 HJAALO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccccc1N1CCCCC1 ZINC000012609966 132365276 /nfs/dbraw/zinc/36/52/76/132365276.db2.gz UEZAMLGLRRWJKI-UHFFFAOYSA-N 1 2 416.363 4.510 50 0 HJAALO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccccc1N1CCCCC1 ZINC000012609966 132365278 /nfs/dbraw/zinc/36/52/78/132365278.db2.gz UEZAMLGLRRWJKI-UHFFFAOYSA-N 1 2 416.363 4.510 50 0 HJAALO COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1[nH+]ccn1C ZINC000032802522 524739374 /nfs/dbraw/zinc/73/93/74/524739374.db2.gz CTZCARFWINPMPN-VGOFRKELSA-N 1 2 406.530 4.702 50 0 HJAALO C[C@H](NC(=O)C[NH+](Cc1cccs1)Cc1cccs1)c1ccc(F)cc1F ZINC000032775754 524946795 /nfs/dbraw/zinc/94/67/95/524946795.db2.gz KVYOSAIMGQEDSD-AWEZNQCLSA-N 1 2 406.523 4.967 50 0 HJAALO CSc1ccc(C[NH+]2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019789432 525989638 /nfs/dbraw/zinc/98/96/38/525989638.db2.gz UJUQZKVFVHWKAA-UHFFFAOYSA-N 1 2 416.590 4.885 50 0 HJAALO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000044089197 526014325 /nfs/dbraw/zinc/01/43/25/526014325.db2.gz RWBIHNNLVWJSCX-CHWSQXEVSA-N 1 2 418.542 4.563 50 0 HJAALO O=C(NCc1ccccc1)c1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000034684428 557387290 /nfs/dbraw/zinc/38/72/90/557387290.db2.gz YBPDNQCPKXUGBV-UHFFFAOYSA-N 1 2 419.956 4.592 50 0 HJAALO Fc1cccc(C[N@@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755972 557458455 /nfs/dbraw/zinc/45/84/55/557458455.db2.gz BPOORMNJZUKSJS-UHFFFAOYSA-N 1 2 418.516 4.957 50 0 HJAALO Fc1cccc(C[N@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755972 557458457 /nfs/dbraw/zinc/45/84/57/557458457.db2.gz BPOORMNJZUKSJS-UHFFFAOYSA-N 1 2 418.516 4.957 50 0 HJAALO O=C(C1CCN(c2[nH+]c3ccccc3n2CC2CCCCC2)CC1)N1CCCCC1 ZINC000034906507 557473463 /nfs/dbraw/zinc/47/34/63/557473463.db2.gz AEMVWPAQEKEQIU-UHFFFAOYSA-N 1 2 408.590 4.846 50 0 HJAALO O=C(C[NH+]1CCCCC1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000004845048 557605478 /nfs/dbraw/zinc/60/54/78/557605478.db2.gz QFYUMQHALXRUKL-UHFFFAOYSA-N 1 2 417.962 4.567 50 0 HJAALO CCCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020357471 558357833 /nfs/dbraw/zinc/35/78/33/558357833.db2.gz WTAZIEHLCVYPOP-UHFFFAOYSA-N 1 2 416.978 4.691 50 0 HJAALO CCCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020357471 558357836 /nfs/dbraw/zinc/35/78/36/558357836.db2.gz WTAZIEHLCVYPOP-UHFFFAOYSA-N 1 2 416.978 4.691 50 0 HJAALO Cc1nc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cs1 ZINC000012459221 558418767 /nfs/dbraw/zinc/41/87/67/558418767.db2.gz CDVKROIFOMVPFK-UHFFFAOYSA-N 1 2 418.522 4.665 50 0 HJAALO Cc1nc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cs1 ZINC000012459221 558418768 /nfs/dbraw/zinc/41/87/68/558418768.db2.gz CDVKROIFOMVPFK-UHFFFAOYSA-N 1 2 418.522 4.665 50 0 HJAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000004341697 558425209 /nfs/dbraw/zinc/42/52/09/558425209.db2.gz KFXKTFCOQUQBHJ-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000021004172 558428485 /nfs/dbraw/zinc/42/84/85/558428485.db2.gz DLYBCVLVRFRDGV-UHFFFAOYSA-N 1 2 412.533 4.583 50 0 HJAALO C[C@@H]1C[N@@H+](CCOc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)C[C@H](C)O1 ZINC000013609399 558548087 /nfs/dbraw/zinc/54/80/87/558548087.db2.gz MOMCYAXYJWYDSO-IYBDPMFKSA-N 1 2 413.901 4.601 50 0 HJAALO C[C@@H]1C[N@H+](CCOc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)C[C@H](C)O1 ZINC000013609399 558548093 /nfs/dbraw/zinc/54/80/93/558548093.db2.gz MOMCYAXYJWYDSO-IYBDPMFKSA-N 1 2 413.901 4.601 50 0 HJAALO S=c1n(C[NH+]2CCC(Cc3ccccc3)CC2)nc(-c2ccncc2)n1C1CC1 ZINC000014182883 558628985 /nfs/dbraw/zinc/62/89/85/558628985.db2.gz LBFHTNFRVKPVMF-UHFFFAOYSA-N 1 2 405.571 4.723 50 0 HJAALO C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329150 558638219 /nfs/dbraw/zinc/63/82/19/558638219.db2.gz WJMIMXYRGJRXJX-AUUYWEPGSA-N 1 2 408.329 4.577 50 0 HJAALO C[C@]1(C2CCCCC2)NC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000014241322 558644178 /nfs/dbraw/zinc/64/41/78/558644178.db2.gz WZOZTIZXYCRVAW-XUZZJYLKSA-N 1 2 423.582 4.544 50 0 HJAALO C[C@]1(C2CCCCC2)NC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000014241322 558644180 /nfs/dbraw/zinc/64/41/80/558644180.db2.gz WZOZTIZXYCRVAW-XUZZJYLKSA-N 1 2 423.582 4.544 50 0 HJAALO Cn1ncc2c1nc[nH+]c2SCc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000025593988 558645161 /nfs/dbraw/zinc/64/51/61/558645161.db2.gz CBEVHFRLMWBJKU-UHFFFAOYSA-N 1 2 420.929 4.707 50 0 HJAALO C[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014814191 558674141 /nfs/dbraw/zinc/67/41/41/558674141.db2.gz QBHOFUWSPWJWAN-QFIPXVFZSA-N 1 2 417.933 4.974 50 0 HJAALO C[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014814191 558674146 /nfs/dbraw/zinc/67/41/46/558674146.db2.gz QBHOFUWSPWJWAN-QFIPXVFZSA-N 1 2 417.933 4.974 50 0 HJAALO CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000028290616 558696996 /nfs/dbraw/zinc/69/69/96/558696996.db2.gz QHFPBPOKUGRHPK-VWLOTQADSA-N 1 2 424.585 4.502 50 0 HJAALO O=C(N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1csc(-c2ccsc2)n1 ZINC000072309915 558778638 /nfs/dbraw/zinc/77/86/38/558778638.db2.gz NMADBFLAIQNERE-RTBURBONSA-N 1 2 406.536 4.727 50 0 HJAALO Clc1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+]2CCOCC2)cc1 ZINC000016711403 558801657 /nfs/dbraw/zinc/80/16/57/558801657.db2.gz GYNFQLMJKUOZCO-GYHWCHFESA-N 1 2 413.974 4.825 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4cc(C)cc(C)c4)CC3)cn2)cc1 ZINC000032995889 558810440 /nfs/dbraw/zinc/81/04/40/558810440.db2.gz BRETZYMDESMTQL-UHFFFAOYSA-N 1 2 400.526 4.525 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4cc(C)cc(C)c4)CC3)cn2)cc1 ZINC000032995889 558810442 /nfs/dbraw/zinc/81/04/42/558810442.db2.gz BRETZYMDESMTQL-UHFFFAOYSA-N 1 2 400.526 4.525 50 0 HJAALO CCCC12CN3CC(C)(C[N@H+](C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2=O ZINC000019322775 558867580 /nfs/dbraw/zinc/86/75/80/558867580.db2.gz WSUXWWCNWWZCRN-UHFFFAOYSA-N 1 2 413.565 4.695 50 0 biogenic HJAALO CCOc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)cc1 ZINC000033078135 558867555 /nfs/dbraw/zinc/86/75/55/558867555.db2.gz VKWBBKQHLFURIX-UHFFFAOYSA-N 1 2 417.513 4.780 50 0 HJAALO CCCC12CN3CC(C)(C[N@@H+](C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2=O ZINC000019322775 558867583 /nfs/dbraw/zinc/86/75/83/558867583.db2.gz WSUXWWCNWWZCRN-UHFFFAOYSA-N 1 2 413.565 4.695 50 0 biogenic HJAALO CCOC(=O)Nc1ccc2c(c1)Sc1ccccc1N2CCC[NH+]1CCOCC1 ZINC000055211490 558876003 /nfs/dbraw/zinc/87/60/03/558876003.db2.gz XIVOUFWKNIRIEY-UHFFFAOYSA-N 1 2 413.543 4.580 50 0 HJAALO CSc1nnc(C[N@H+](C)Cc2cccc(-c3ccccc3C)c2)n1C[C@H]1CCCO1 ZINC000055226833 558876841 /nfs/dbraw/zinc/87/68/41/558876841.db2.gz IBSNBQIFSCGNTG-OAQYLSRUSA-N 1 2 422.598 4.786 50 0 HJAALO CSc1nnc(C[N@@H+](C)Cc2cccc(-c3ccccc3C)c2)n1C[C@H]1CCCO1 ZINC000055226833 558876845 /nfs/dbraw/zinc/87/68/45/558876845.db2.gz IBSNBQIFSCGNTG-OAQYLSRUSA-N 1 2 422.598 4.786 50 0 HJAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)Nc1ccc2c(c1)OCCO2 ZINC000033126377 558883968 /nfs/dbraw/zinc/88/39/68/558883968.db2.gz WVGIXVHIYIACFD-UHFFFAOYSA-N 1 2 414.465 4.763 50 0 HJAALO Cc1ccc(-c2cc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)on2)cc1 ZINC000033161235 558896001 /nfs/dbraw/zinc/89/60/01/558896001.db2.gz LEAHUYQWTDCFDL-FQEVSTJZSA-N 1 2 406.873 4.556 50 0 HJAALO Cc1ccc2[nH]c(N3CCC(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)CC3)[nH+]c2c1 ZINC000033269070 558993744 /nfs/dbraw/zinc/99/37/44/558993744.db2.gz PFJJBPIHQMCGKZ-BALBBAFXSA-N 1 2 420.601 4.809 50 0 HJAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)CC3)[nH]c2c1 ZINC000033269070 558993747 /nfs/dbraw/zinc/99/37/47/558993747.db2.gz PFJJBPIHQMCGKZ-BALBBAFXSA-N 1 2 420.601 4.809 50 0 HJAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCC(Cc3ccccc3)CC1)S2 ZINC000023156784 559022721 /nfs/dbraw/zinc/02/27/21/559022721.db2.gz ZDIXKPQMSXJPMV-OAQYLSRUSA-N 1 2 418.566 4.849 50 0 HJAALO CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(Cl)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004786891 559063942 /nfs/dbraw/zinc/06/39/42/559063942.db2.gz SRKHYPOWZRNXIW-NRFANRHFSA-N 1 2 406.917 4.991 50 0 HJAALO O=C(NCc1ccco1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023305994 559108825 /nfs/dbraw/zinc/10/88/25/559108825.db2.gz CYPXLYWFRJVPNM-JOCHJYFZSA-N 1 2 409.917 4.550 50 0 HJAALO Cc1ccc(F)c(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1F ZINC000023332682 559171432 /nfs/dbraw/zinc/17/14/32/559171432.db2.gz CCGCUONYRFDLCQ-DEOSSOPVSA-N 1 2 424.466 4.960 50 0 HJAALO CCOc1ccc(CCC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000024050768 559189178 /nfs/dbraw/zinc/18/91/78/559189178.db2.gz LSLPHKCESCKHHB-UHFFFAOYSA-N 1 2 403.526 4.756 50 0 HJAALO CC[N@H+](CCCNC(=O)c1cc2cc3cc(OC)ccc3nc2o1)c1ccccc1 ZINC000004907593 559200856 /nfs/dbraw/zinc/20/08/56/559200856.db2.gz UVBWRCICQWHVIW-UHFFFAOYSA-N 1 2 403.482 4.636 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1cc2cc3cc(OC)ccc3nc2o1)c1ccccc1 ZINC000004907593 559200857 /nfs/dbraw/zinc/20/08/57/559200857.db2.gz UVBWRCICQWHVIW-UHFFFAOYSA-N 1 2 403.482 4.636 50 0 HJAALO CC1CC[NH+](CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)CC1 ZINC000005451897 560589249 /nfs/dbraw/zinc/58/92/49/560589249.db2.gz XGCPUFQRFCNZNC-UHFFFAOYSA-N 1 2 410.901 4.784 50 0 HJAALO Cc1ccc(-n2c(SCc3cn4ccccc4[nH+]3)nnc2-c2ccncc2)cc1C ZINC000004491043 560606310 /nfs/dbraw/zinc/60/63/10/560606310.db2.gz ZYLODSQERVBMHV-UHFFFAOYSA-N 1 2 412.522 4.886 50 0 HJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc12 ZINC000101222067 560790182 /nfs/dbraw/zinc/79/01/82/560790182.db2.gz KRLSUCGGJIEDOB-UHFFFAOYSA-N 1 2 413.477 4.892 50 0 HJAALO Fc1ccc(OCc2noc(C[N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 ZINC000048280302 568435893 /nfs/dbraw/zinc/43/58/93/568435893.db2.gz ONCJWFFNVVVOIA-QHCPKHFHSA-N 1 2 415.468 4.935 50 0 HJAALO Fc1ccc(OCc2noc(C[N@@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 ZINC000048280302 568435895 /nfs/dbraw/zinc/43/58/95/568435895.db2.gz ONCJWFFNVVVOIA-QHCPKHFHSA-N 1 2 415.468 4.935 50 0 HJAALO Fc1ccc(OCc2noc(C[N@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000048280305 568435939 /nfs/dbraw/zinc/43/59/39/568435939.db2.gz ONCJWFFNVVVOIA-HSZRJFAPSA-N 1 2 415.468 4.935 50 0 HJAALO Fc1ccc(OCc2noc(C[N@@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000048280305 568435940 /nfs/dbraw/zinc/43/59/40/568435940.db2.gz ONCJWFFNVVVOIA-HSZRJFAPSA-N 1 2 415.468 4.935 50 0 HJAALO O=C(CCCc1ccc(Cl)c(Cl)c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000048299359 568437138 /nfs/dbraw/zinc/43/71/38/568437138.db2.gz LFXIWRKEJOBQEA-UHFFFAOYSA-N 1 2 402.325 4.877 50 0 HJAALO COc1cc(C(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)cc(OC)c1OC ZINC000000629557 568456181 /nfs/dbraw/zinc/45/61/81/568456181.db2.gz DRVIKYTZILDXIS-UHFFFAOYSA-N 1 2 417.465 4.588 50 0 HJAALO O=C(Oc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1cccc2ccccc21 ZINC000020478982 568612978 /nfs/dbraw/zinc/61/29/78/568612978.db2.gz OWYQXRRWUGRKTK-UHFFFAOYSA-N 1 2 404.510 4.563 50 0 HJAALO c1c(-c2ccccc2)sc2nc(-c3ccccc3)nc(NCC[NH+]3CCOCC3)c12 ZINC000021548872 568714082 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Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000009318819 571247777 /nfs/dbraw/zinc/24/77/77/571247777.db2.gz XUXRWFQFOIUREP-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO CCc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000009517699 571265368 /nfs/dbraw/zinc/26/53/68/571265368.db2.gz QIGHJRNKTXEPHT-UHFFFAOYSA-N 1 2 423.929 4.762 50 0 HJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000009573433 571269367 /nfs/dbraw/zinc/26/93/67/571269367.db2.gz KUJCDCGPVKDLPK-UHFFFAOYSA-N 1 2 405.502 4.636 50 0 HJAALO Clc1cccc(-n2ncc3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)c1 ZINC000008583067 132330442 /nfs/dbraw/zinc/33/04/42/132330442.db2.gz PGRZLTDVBPDPMC-UHFFFAOYSA-N 1 2 403.917 4.928 50 0 HJAALO Cc1cc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)nc(C(C)C)[nH+]1 ZINC000012753523 132366621 /nfs/dbraw/zinc/36/66/21/132366621.db2.gz GEFNSNZKZYCBFX-UHFFFAOYSA-N 1 2 424.932 4.784 50 0 HJAALO CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)NC4CCCCCC4)CC3)cc(C)c2c1 ZINC000021704044 519735048 /nfs/dbraw/zinc/73/50/48/519735048.db2.gz UNLXEGWAEIGWNW-UHFFFAOYSA-N 1 2 422.573 4.557 50 0 HJAALO CCOc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](C(=O)c3cccnc3)C2)c(C)o1 ZINC000020539964 521439827 /nfs/dbraw/zinc/43/98/27/521439827.db2.gz SAOODQBQXCYFRJ-LJQANCHMSA-N 1 2 405.498 4.539 50 0 HJAALO CCOc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C(=O)c3cccnc3)C2)c(C)o1 ZINC000020539964 521439837 /nfs/dbraw/zinc/43/98/37/521439837.db2.gz SAOODQBQXCYFRJ-LJQANCHMSA-N 1 2 405.498 4.539 50 0 HJAALO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1csc(Br)c1 ZINC000032913420 522518173 /nfs/dbraw/zinc/51/81/73/522518173.db2.gz ULPILVNFWFWFFS-UHFFFAOYSA-N 1 2 407.255 4.600 50 0 HJAALO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1csc(Br)c1 ZINC000032913420 522518181 /nfs/dbraw/zinc/51/81/81/522518181.db2.gz ULPILVNFWFWFFS-UHFFFAOYSA-N 1 2 407.255 4.600 50 0 HJAALO COc1ccccc1[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1[nH+]ccn1C ZINC000032764550 524794899 /nfs/dbraw/zinc/79/48/99/524794899.db2.gz GQBFXCQKDNCEFB-FQEVSTJZSA-N 1 2 418.324 4.574 50 0 HJAALO Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019889477 525381455 /nfs/dbraw/zinc/38/14/55/525381455.db2.gz WJRLELJLMWTCJX-UHFFFAOYSA-N 1 2 416.521 4.511 50 0 HJAALO CCOC(=O)c1c[nH+]c2c(CC)cccc2c1NCCc1ccc(OC)c(OC)c1 ZINC000000955154 557125744 /nfs/dbraw/zinc/12/57/44/557125744.db2.gz AQWPWDBGEJRQQE-UHFFFAOYSA-N 1 2 408.498 4.646 50 0 HJAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000034910078 557475830 /nfs/dbraw/zinc/47/58/30/557475830.db2.gz DVLZUAGZMMBJMZ-IBGZPJMESA-N 1 2 408.521 4.508 50 0 HJAALO O=C(NCc1ccco1)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCCC2)C1 ZINC000034900817 557481214 /nfs/dbraw/zinc/48/12/14/557481214.db2.gz GJNKNYYVUFXMDH-GOSISDBHSA-N 1 2 406.530 4.667 50 0 HJAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004698563 557582792 /nfs/dbraw/zinc/58/27/92/557582792.db2.gz HRZSAFRGOHKALQ-UHFFFAOYSA-N 1 2 402.338 4.721 50 0 biogenic,in-vitro HJAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004698563 557582793 /nfs/dbraw/zinc/58/27/93/557582793.db2.gz HRZSAFRGOHKALQ-UHFFFAOYSA-N 1 2 402.338 4.721 50 0 biogenic,in-vitro HJAALO C[C@@H]1CCC[N@@H+]([C@H](c2sc3nc(-c4ccco4)nn3c2O)c2ccc(F)cc2)C1 ZINC000022852204 557839803 /nfs/dbraw/zinc/83/98/03/557839803.db2.gz DVIMSPQILAHPRU-DYVFJYSZSA-N 1 2 412.490 4.717 50 0 HJAALO C[C@@H]1CCC[N@H+]([C@H](c2sc3nc(-c4ccco4)nn3c2O)c2ccc(F)cc2)C1 ZINC000022852204 557839807 /nfs/dbraw/zinc/83/98/07/557839807.db2.gz DVIMSPQILAHPRU-DYVFJYSZSA-N 1 2 412.490 4.717 50 0 HJAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[NH+]2CCC(C)CC2)cc1 ZINC000022852364 557839817 /nfs/dbraw/zinc/83/98/17/557839817.db2.gz RLOBANSITCMSNZ-GOSISDBHSA-N 1 2 408.527 4.886 50 0 HJAALO CCOC(=O)N1CC[NH+](Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)CC1 ZINC000019939437 558313520 /nfs/dbraw/zinc/31/35/20/558313520.db2.gz JMOVZTBQBXRPLG-UHFFFAOYSA-N 1 2 408.498 4.691 50 0 HJAALO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc(Cl)c1O ZINC000012094222 558325003 /nfs/dbraw/zinc/32/50/03/558325003.db2.gz IRJJYPKPZZBCRR-OAHLLOKOSA-N 1 2 405.947 4.871 50 0 HJAALO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc(Cl)c1O ZINC000012094222 558325005 /nfs/dbraw/zinc/32/50/05/558325005.db2.gz IRJJYPKPZZBCRR-OAHLLOKOSA-N 1 2 405.947 4.871 50 0 HJAALO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)cc(Cl)c1O ZINC000012094224 558325069 /nfs/dbraw/zinc/32/50/69/558325069.db2.gz IRJJYPKPZZBCRR-HNNXBMFYSA-N 1 2 405.947 4.871 50 0 HJAALO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)cc(Cl)c1O ZINC000012094224 558325070 /nfs/dbraw/zinc/32/50/70/558325070.db2.gz IRJJYPKPZZBCRR-HNNXBMFYSA-N 1 2 405.947 4.871 50 0 HJAALO Cc1ccccc1-c1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000012242517 558360723 /nfs/dbraw/zinc/36/07/23/558360723.db2.gz DXOLHDDLZHXMOA-HXUWFJFHSA-N 1 2 411.509 4.591 50 0 HJAALO O=c1nc(C[N@@H+]2CCc3ccccc3C2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000021821788 558451222 /nfs/dbraw/zinc/45/12/22/558451222.db2.gz SOPLYLXNJOUAQD-UHFFFAOYSA-N 1 2 407.926 4.863 50 0 HJAALO O=c1nc(C[N@H+]2CCc3ccccc3C2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000021821788 558451224 /nfs/dbraw/zinc/45/12/24/558451224.db2.gz SOPLYLXNJOUAQD-UHFFFAOYSA-N 1 2 407.926 4.863 50 0 HJAALO Cc1ccc([C@@H]([NH2+]Cc2nc(COc3ccc(F)cc3)no2)c2ccccc2)cc1 ZINC000012790483 558465086 /nfs/dbraw/zinc/46/50/86/558465086.db2.gz XOGDGZDAKBRDFR-DEOSSOPVSA-N 1 2 403.457 4.975 50 0 HJAALO CC(C)[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004406026 558501334 /nfs/dbraw/zinc/50/13/34/558501334.db2.gz YFSBPTNNUGMDEK-OAQYLSRUSA-N 1 2 408.489 4.589 50 0 HJAALO CC(C)[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004406026 558501336 /nfs/dbraw/zinc/50/13/36/558501336.db2.gz YFSBPTNNUGMDEK-OAQYLSRUSA-N 1 2 408.489 4.589 50 0 HJAALO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=[NH+]3)cc1 ZINC000013122777 558517586 /nfs/dbraw/zinc/51/75/86/558517586.db2.gz DSVOYVNWGMJQFR-FGZHOGPDSA-N 1 2 414.490 4.561 50 0 HJAALO O=S(=O)(CC[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 ZINC000023828707 558577431 /nfs/dbraw/zinc/57/74/31/558577431.db2.gz OYLUZVUIBORCPP-UHFFFAOYSA-N 1 2 420.987 4.603 50 0 HJAALO C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000023873049 558578939 /nfs/dbraw/zinc/57/89/39/558578939.db2.gz VNGUSSDYXGOPJD-NBGIEHNGSA-N 1 2 400.522 4.545 50 0 HJAALO C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000023908323 558581048 /nfs/dbraw/zinc/58/10/48/558581048.db2.gz BKTBVAMVIJFEDD-YCRPNKLZSA-N 1 2 421.447 4.965 50 0 HJAALO CNC(=O)c1ccc(C[N@H+](C)[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000014123315 558622752 /nfs/dbraw/zinc/62/27/52/558622752.db2.gz UOOCFSGKJUWBLX-DEOSSOPVSA-N 1 2 411.505 4.584 50 0 HJAALO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000014123315 558622756 /nfs/dbraw/zinc/62/27/56/558622756.db2.gz UOOCFSGKJUWBLX-DEOSSOPVSA-N 1 2 411.505 4.584 50 0 HJAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000024980584 558624196 /nfs/dbraw/zinc/62/41/96/558624196.db2.gz ZJJSOJZBZNSRRB-UHFFFAOYSA-N 1 2 423.929 4.550 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(Cc3cccs3)n(C)c2=S)cc1 ZINC000014185913 558631058 /nfs/dbraw/zinc/63/10/58/558631058.db2.gz VVAWVNGQZMYMQY-LJQANCHMSA-N 1 2 414.600 4.797 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(Cc3cccs3)n(C)c2=S)cc1 ZINC000014185913 558631059 /nfs/dbraw/zinc/63/10/59/558631059.db2.gz VVAWVNGQZMYMQY-LJQANCHMSA-N 1 2 414.600 4.797 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)[C@H](C)c2ccon2)cc1 ZINC000014976914 558689558 /nfs/dbraw/zinc/68/95/58/558689558.db2.gz QEWGWHQALATUTH-MRXNPFEDSA-N 1 2 406.461 4.868 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)[C@H](C)c2ccon2)cc1 ZINC000014976914 558689560 /nfs/dbraw/zinc/68/95/60/558689560.db2.gz QEWGWHQALATUTH-MRXNPFEDSA-N 1 2 406.461 4.868 50 0 HJAALO COc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c(OC)c1C ZINC000014979401 558690672 /nfs/dbraw/zinc/69/06/72/558690672.db2.gz LOSYGNQDLPSKGA-UHFFFAOYSA-N 1 2 411.523 4.841 50 0 HJAALO COc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c(OC)c1C ZINC000014979401 558690675 /nfs/dbraw/zinc/69/06/75/558690675.db2.gz LOSYGNQDLPSKGA-UHFFFAOYSA-N 1 2 411.523 4.841 50 0 HJAALO O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000029027558 558708760 /nfs/dbraw/zinc/70/87/60/558708760.db2.gz KCMSSCUZIJRYCC-UHFFFAOYSA-N 1 2 422.941 4.567 50 0 HJAALO O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1csc(-c2ccsc2)n1 ZINC000072309917 558778632 /nfs/dbraw/zinc/77/86/32/558778632.db2.gz NMADBFLAIQNERE-MOPGFXCFSA-N 1 2 406.536 4.727 50 0 HJAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000033078150 558867602 /nfs/dbraw/zinc/86/76/02/558867602.db2.gz CWZCQPDDKYFKDM-UHFFFAOYSA-N 1 2 405.477 4.910 50 0 HJAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000033106487 558874162 /nfs/dbraw/zinc/87/41/62/558874162.db2.gz ONDRCEJNTGKQQR-UHFFFAOYSA-N 1 2 418.328 4.717 50 0 HJAALO S=c1sc2ccccc2n1CNCC[NH2+]Cn1c2ccccc2sc1=S ZINC000019369020 558877712 /nfs/dbraw/zinc/87/77/12/558877712.db2.gz ZVFRBVXWEVWTNJ-UHFFFAOYSA-N 1 2 418.638 4.972 50 0 HJAALO Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000058131124 558900594 /nfs/dbraw/zinc/90/05/94/558900594.db2.gz RDCPCYRAEWVFEY-UHFFFAOYSA-N 1 2 408.933 4.902 50 0 HJAALO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004711848 558917604 /nfs/dbraw/zinc/91/76/04/558917604.db2.gz NRWGFJAEHLYGCP-QFIPXVFZSA-N 1 2 422.516 4.980 50 0 HJAALO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004711848 558917606 /nfs/dbraw/zinc/91/76/06/558917606.db2.gz NRWGFJAEHLYGCP-QFIPXVFZSA-N 1 2 422.516 4.980 50 0 HJAALO O=C(c1ccccc1Cl)N1CCC[N@H+](Cc2csc(Br)c2)CC1 ZINC000058401682 558924180 /nfs/dbraw/zinc/92/41/80/558924180.db2.gz CHAJPRKPDXFUSZ-UHFFFAOYSA-N 1 2 413.768 4.512 50 0 HJAALO O=C(c1ccccc1Cl)N1CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC000058401682 558924181 /nfs/dbraw/zinc/92/41/81/558924181.db2.gz CHAJPRKPDXFUSZ-UHFFFAOYSA-N 1 2 413.768 4.512 50 0 HJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)[nH+]1 ZINC000072441662 558981721 /nfs/dbraw/zinc/98/17/21/558981721.db2.gz BHZVGFHEWVJYSF-UHFFFAOYSA-N 1 2 421.932 4.963 50 0 HJAALO CC[N@H+](CCCNC(=O)c1sc2ncccc2c1-n1cccc1)c1ccccc1 ZINC000033298013 559047825 /nfs/dbraw/zinc/04/78/25/559047825.db2.gz QNTUISHDSIYETI-UHFFFAOYSA-N 1 2 404.539 4.733 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1sc2ncccc2c1-n1cccc1)c1ccccc1 ZINC000033298013 559047827 /nfs/dbraw/zinc/04/78/27/559047827.db2.gz QNTUISHDSIYETI-UHFFFAOYSA-N 1 2 404.539 4.733 50 0 HJAALO CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(Cl)c2)n2c3ccccc3[nH+]c2N1 ZINC000004787016 559064062 /nfs/dbraw/zinc/06/40/62/559064062.db2.gz CJRHFJYIEIXZKD-OAQYLSRUSA-N 1 2 406.917 4.991 50 0 HJAALO O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033426665 559190653 /nfs/dbraw/zinc/19/06/53/559190653.db2.gz KVULAFQNGAQTNA-UHFFFAOYSA-N 1 2 419.575 4.983 50 0 HJAALO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000005429402 560586499 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CCN(C(C)=O)c1nc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cs1 ZINC000040154492 571201801 /nfs/dbraw/zinc/20/18/01/571201801.db2.gz KXXQXQHQZKCTEL-UHFFFAOYSA-N 1 2 418.950 4.690 50 0 HJAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009378146 571253356 /nfs/dbraw/zinc/25/33/56/571253356.db2.gz BGHWCKPAQTZNED-QFIPXVFZSA-N 1 2 407.564 4.896 50 0 HJAALO Cc1cc(C)c(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c(C)c1 ZINC000009517631 571265265 /nfs/dbraw/zinc/26/52/65/571265265.db2.gz FTYZSACACPCIAX-UHFFFAOYSA-N 1 2 421.501 4.611 50 0 HJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(OC)cc3)cc2)n1 ZINC000009573394 571269222 /nfs/dbraw/zinc/26/92/22/571269222.db2.gz IXAAHBQHRSMVJE-UHFFFAOYSA-N 1 2 405.502 4.636 50 0 HJAALO CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)[nH+]cc1Cl ZINC000114407258 571315430 /nfs/dbraw/zinc/31/54/30/571315430.db2.gz BVAHPPKGOOJSPU-UHFFFAOYSA-N 1 2 414.897 4.599 50 0 in-vitro HJAALO Cc1cccc(-c2nc(N3CCN(C(=O)CC(C)(C)C)CC3)c(C(C)C)c(C)[nH+]2)c1 ZINC000006736201 132314047 /nfs/dbraw/zinc/31/40/47/132314047.db2.gz RBFSSJHWEQNSBH-UHFFFAOYSA-N 1 2 408.590 4.969 50 0 HJAALO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)no1 ZINC000032779533 525178071 /nfs/dbraw/zinc/17/80/71/525178071.db2.gz LNQCUKWYGUDZDJ-UHFFFAOYSA-N 1 2 416.934 4.715 50 0 HJAALO Cc1cc2[nH+]c(Cc3ccccc3F)n(CCC(=O)NCc3ccco3)c2cc1C ZINC000040387279 525677234 /nfs/dbraw/zinc/67/72/34/525677234.db2.gz RDWMDYZYCXEVPU-UHFFFAOYSA-N 1 2 405.473 4.683 50 0 HJAALO Cc1c(C)n(-c2cc(F)cc(F)c2)c2nc[nH+]c(Nc3ccc4c(c3)OCCO4)c12 ZINC000032960488 525677438 /nfs/dbraw/zinc/67/74/38/525677438.db2.gz ATGKWHOICHBLPF-UHFFFAOYSA-N 1 2 408.408 4.830 50 0 HJAALO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032859993 526844356 /nfs/dbraw/zinc/84/43/56/526844356.db2.gz MTRIOLALGNZOIW-UHFFFAOYSA-N 1 2 424.863 4.617 50 0 HJAALO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=[NH+]3)cc1 ZINC000000632227 557027354 /nfs/dbraw/zinc/02/73/54/557027354.db2.gz HONMPFMPCHIUPH-LEWJYISDSA-N 1 2 402.454 4.691 50 0 HJAALO Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=[NH+]3)cc1 ZINC000002247550 557331041 /nfs/dbraw/zinc/33/10/41/557331041.db2.gz GWPOHHYTADEDPK-PKTZIBPZSA-N 1 2 414.415 4.769 50 0 HJAALO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=[NH+]3)cc1 ZINC000002256570 557331809 /nfs/dbraw/zinc/33/18/09/557331809.db2.gz SCNMAJFBWPLJQU-RPWUZVMVSA-N 1 2 410.452 4.938 50 0 HJAALO Cc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1F)N1NC=NC1=[NH+]2 ZINC000002542260 557355419 /nfs/dbraw/zinc/35/54/19/557355419.db2.gz YYDSFJWQMQLFEM-DNQXCXABSA-N 1 2 410.452 4.938 50 0 HJAALO COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000004324626 557541562 /nfs/dbraw/zinc/54/15/62/557541562.db2.gz DBONGOUSWDQJIY-UHFFFAOYSA-N 1 2 414.571 4.924 50 0 HJAALO COc1ccc(-c2nn(C[NH+]3CCC(C)CC3)c(=S)n2-c2ccccc2)cc1OC ZINC000004455859 557555995 /nfs/dbraw/zinc/55/59/95/557555995.db2.gz OMYYDPMACRKVES-UHFFFAOYSA-N 1 2 424.570 4.777 50 0 HJAALO Cc1ccc2c(c1)C1=C([C@H](c3cccs3)N3NC=NC3=[NH+]1)[C@H](c1cccc(F)c1)O2 ZINC000002707293 557744209 /nfs/dbraw/zinc/74/42/09/557744209.db2.gz XHSCQTGZVIVAEB-VXKWHMMOSA-N 1 2 416.481 5.000 50 0 HJAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022853983 557840450 /nfs/dbraw/zinc/84/04/50/557840450.db2.gz CAGJIBIIVMKPNX-ZRGWGRIASA-N 1 2 414.575 4.525 50 0 HJAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022853983 557840453 /nfs/dbraw/zinc/84/04/53/557840453.db2.gz CAGJIBIIVMKPNX-ZRGWGRIASA-N 1 2 414.575 4.525 50 0 HJAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019880204 558300832 /nfs/dbraw/zinc/30/08/32/558300832.db2.gz AWXGXPPLDNLNGZ-UHFFFAOYSA-N 1 2 404.941 4.816 50 0 HJAALO COc1ccccc1OCCn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=[NH2+] ZINC000019900349 558305038 /nfs/dbraw/zinc/30/50/38/558305038.db2.gz CMCLUFPCGXSXFP-UHFFFAOYSA-N 1 2 407.901 4.712 50 0 HJAALO COc1ccc(CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3-c2ccccc2)cc1OC ZINC000022680373 558504263 /nfs/dbraw/zinc/50/42/63/558504263.db2.gz VDODSNJEKXFRSV-UHFFFAOYSA-N 1 2 401.466 4.532 50 0 HJAALO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000022784175 558510592 /nfs/dbraw/zinc/51/05/92/558510592.db2.gz ZDBJYPONRHTSAD-DEOSSOPVSA-N 1 2 419.594 4.863 50 0 HJAALO COc1cc(C)c(C[NH+]2CCN(C(=O)Nc3cccc4ccccc43)CC2)cc1OC ZINC000022893019 558518816 /nfs/dbraw/zinc/51/88/16/558518816.db2.gz JRDBLGHAHZALFP-UHFFFAOYSA-N 1 2 419.525 4.515 50 0 HJAALO COc1ccc(C[NH2+][C@@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000023343429 558550862 /nfs/dbraw/zinc/55/08/62/558550862.db2.gz DKUAWFZSGIVDHU-QHCPKHFHSA-N 1 2 406.913 4.836 50 0 HJAALO O=c1nc(C[N@@H+]2CCc3ccccc3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000023748595 558573571 /nfs/dbraw/zinc/57/35/71/558573571.db2.gz PBQLNNUBNYPDNW-UHFFFAOYSA-N 1 2 407.926 4.863 50 0 HJAALO O=c1nc(C[N@H+]2CCc3ccccc3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000023748595 558573575 /nfs/dbraw/zinc/57/35/75/558573575.db2.gz PBQLNNUBNYPDNW-UHFFFAOYSA-N 1 2 407.926 4.863 50 0 HJAALO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000023956397 558582651 /nfs/dbraw/zinc/58/26/51/558582651.db2.gz QGUUKFIHKHTXCP-RUZDIDTESA-N 1 2 411.505 4.937 50 0 HJAALO O=C1c2cccc3cccc(c23)N1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024634384 558605763 /nfs/dbraw/zinc/60/57/63/558605763.db2.gz ZLFHCKKYGYGBCO-UHFFFAOYSA-N 1 2 411.427 4.599 50 0 HJAALO C[C@H](c1nnc(SCCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490719 558609337 /nfs/dbraw/zinc/60/93/37/558609337.db2.gz LFVHUCWIVZEFTN-CQSZACIVSA-N 1 2 420.941 4.854 50 0 HJAALO Fc1ccccc1[C@@H]1C2=C([NH+]=C3N=CNN31)c1ccccc1O[C@H]2c1cccs1 ZINC000025783656 558650044 /nfs/dbraw/zinc/65/00/44/558650044.db2.gz RFEFCBMGQFGPPN-RTWAWAEBSA-N 1 2 402.454 4.691 50 0 HJAALO Fc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=[NH+]3)c1 ZINC000025783677 558650114 /nfs/dbraw/zinc/65/01/14/558650114.db2.gz LOMYIKGLNOYMGK-GOTSBHOMSA-N 1 2 414.415 4.769 50 0 HJAALO Fc1ccccc1[C@H]1C2=C([NH+]=C3N=CNN31)c1ccccc1O[C@H]2c1cccs1 ZINC000025783658 558650220 /nfs/dbraw/zinc/65/02/20/558650220.db2.gz RFEFCBMGQFGPPN-SFTDATJTSA-N 1 2 402.454 4.691 50 0 HJAALO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000026115426 558655659 /nfs/dbraw/zinc/65/56/59/558655659.db2.gz KTWBTHOSMTYFFK-AREMUKBSSA-N 1 2 416.521 4.863 50 0 HJAALO Cc1nc(C[N@@H+](C)Cc2ccc(OCCN(C)C(=O)C3CCCCC3)cc2)cs1 ZINC000014985011 558692643 /nfs/dbraw/zinc/69/26/43/558692643.db2.gz GLUXBXHECJTNKG-UHFFFAOYSA-N 1 2 415.603 4.501 50 0 HJAALO Cc1nc(C[N@H+](C)Cc2ccc(OCCN(C)C(=O)C3CCCCC3)cc2)cs1 ZINC000014985011 558692645 /nfs/dbraw/zinc/69/26/45/558692645.db2.gz GLUXBXHECJTNKG-UHFFFAOYSA-N 1 2 415.603 4.501 50 0 HJAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000029188187 558711347 /nfs/dbraw/zinc/71/13/47/558711347.db2.gz URZOOKHABGBNQE-UHFFFAOYSA-N 1 2 407.905 4.825 50 0 HJAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000029188187 558711352 /nfs/dbraw/zinc/71/13/52/558711352.db2.gz URZOOKHABGBNQE-UHFFFAOYSA-N 1 2 407.905 4.825 50 0 HJAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000030296790 558728427 /nfs/dbraw/zinc/72/84/27/558728427.db2.gz KUJOQGJZEGJLME-QHCPKHFHSA-N 1 2 403.551 4.832 50 0 HJAALO Cc1ccc(-c2nc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3F)cs2)cc1 ZINC000015497783 558741557 /nfs/dbraw/zinc/74/15/57/558741557.db2.gz FGCKNAVNBGWXEQ-IBGZPJMESA-N 1 2 406.486 4.511 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000016262931 558781861 /nfs/dbraw/zinc/78/18/61/558781861.db2.gz BOMMRCYHJPLJRK-GOSISDBHSA-N 1 2 400.265 4.993 50 0 HJAALO c1cc([C@H]2CCCO2)sc1C[N@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055099439 558872254 /nfs/dbraw/zinc/87/22/54/558872254.db2.gz IFSWHDWUWPBRHW-OAQYLSRUSA-N 1 2 408.523 4.926 50 0 HJAALO c1cc([C@H]2CCCO2)sc1C[N@@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055099439 558872257 /nfs/dbraw/zinc/87/22/57/558872257.db2.gz IFSWHDWUWPBRHW-OAQYLSRUSA-N 1 2 408.523 4.926 50 0 HJAALO CC[N@H+](CCCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000060369767 558890744 /nfs/dbraw/zinc/89/07/44/558890744.db2.gz VGLTUPFIKPOROR-UHFFFAOYSA-N 1 2 406.530 4.681 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000060369767 558890747 /nfs/dbraw/zinc/89/07/47/558890747.db2.gz VGLTUPFIKPOROR-UHFFFAOYSA-N 1 2 406.530 4.681 50 0 HJAALO CC(=O)Nc1sc2c(c1C[NH+]1CCN(c3ccccc3Cl)CC1)CCCC2 ZINC000058167666 558907470 /nfs/dbraw/zinc/90/74/70/558907470.db2.gz VGIREBHMPOCQDU-UHFFFAOYSA-N 1 2 403.979 4.561 50 0 HJAALO C=Cc1ccc(CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(OC)cc2)CC3)cc1 ZINC000033287258 559043889 /nfs/dbraw/zinc/04/38/89/559043889.db2.gz QMFVDYXWQVXBRX-UHFFFAOYSA-N 1 2 419.550 4.684 50 0 HJAALO C=Cc1ccc(CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(OC)cc2)CC3)cc1 ZINC000033287258 559043890 /nfs/dbraw/zinc/04/38/90/559043890.db2.gz QMFVDYXWQVXBRX-UHFFFAOYSA-N 1 2 419.550 4.684 50 0 HJAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccc(Cl)c(C)c4)CC3)no2)c1 ZINC000033327698 559060508 /nfs/dbraw/zinc/06/05/08/559060508.db2.gz XKFSREZQGVNMIA-UHFFFAOYSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1cccc(C(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000023320785 559125864 /nfs/dbraw/zinc/12/58/64/559125864.db2.gz XOEBPYUKOKRWIA-UHFFFAOYSA-N 1 2 406.476 4.821 50 0 HJAALO O=C(CCOc1ccccc1-c1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046456440 559138134 /nfs/dbraw/zinc/13/81/34/559138134.db2.gz ZGVWZLJYLOYDTA-UHFFFAOYSA-N 1 2 411.505 4.684 50 0 HJAALO Cc1sc2[nH]c(C[N@@H+]3CCc4ccccc4C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023748606 559180852 /nfs/dbraw/zinc/18/08/52/559180852.db2.gz UJQPTLLJARLUIE-UHFFFAOYSA-N 1 2 401.535 4.827 50 0 HJAALO Cc1sc2[nH]c(C[N@H+]3CCc4ccccc4C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023748606 559180854 /nfs/dbraw/zinc/18/08/54/559180854.db2.gz UJQPTLLJARLUIE-UHFFFAOYSA-N 1 2 401.535 4.827 50 0 HJAALO CC[N@H+](CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1ccccc1 ZINC000004905755 559201715 /nfs/dbraw/zinc/20/17/15/559201715.db2.gz ZOERITOKIRVXMK-UHFFFAOYSA-N 1 2 419.550 4.698 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1ccccc1 ZINC000004905755 559201717 /nfs/dbraw/zinc/20/17/17/559201717.db2.gz ZOERITOKIRVXMK-UHFFFAOYSA-N 1 2 419.550 4.698 50 0 HJAALO Cc1[nH]c2ccc(N(C)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc2[nH+]1 ZINC000079096842 560541338 /nfs/dbraw/zinc/54/13/38/560541338.db2.gz LGTBOTOYWAEONH-UHFFFAOYSA-N 1 2 401.495 4.857 50 0 HJAALO CC(C)c1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000005557233 560613373 /nfs/dbraw/zinc/61/33/73/560613373.db2.gz CXIONOAKTVCLIP-UHFFFAOYSA-N 1 2 417.538 4.729 50 0 HJAALO Cc1[nH]c(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)c(C)c1C(=O)OC(C)C ZINC000048342331 568440551 /nfs/dbraw/zinc/44/05/51/568440551.db2.gz SIMRHSUOEFJBSB-UHFFFAOYSA-N 1 2 420.513 4.649 50 0 HJAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(Cl)c4C)CC3)n2)c1 ZINC000049403242 568448242 /nfs/dbraw/zinc/44/82/42/568448242.db2.gz UBOYNWYXKICIAK-UHFFFAOYSA-N 1 2 424.932 4.825 50 0 HJAALO COc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2cn3cccc(C)c3[nH+]2)n[nH]1 ZINC000390827387 568489938 /nfs/dbraw/zinc/48/99/38/568489938.db2.gz GTDCVVVBRWDKSY-UHFFFAOYSA-N 1 2 423.476 4.961 50 0 HJAALO C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533015 568501397 /nfs/dbraw/zinc/50/13/97/568501397.db2.gz MTFYEZFNNIKGAW-ZDUSSCGKSA-N 1 2 400.935 4.551 50 0 HJAALO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951872 568667799 /nfs/dbraw/zinc/66/77/99/568667799.db2.gz QHVAINGMAZCHAH-FUHWJXTLSA-N 1 2 424.715 4.787 50 0 HJAALO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951872 568667801 /nfs/dbraw/zinc/66/78/01/568667801.db2.gz QHVAINGMAZCHAH-FUHWJXTLSA-N 1 2 424.715 4.787 50 0 HJAALO CCc1ccc(S(=O)(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000021357243 568688314 /nfs/dbraw/zinc/68/83/14/568688314.db2.gz FGFYNIFCXSLXRK-UHFFFAOYSA-N 1 2 405.523 4.711 50 0 HJAALO Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000021366923 568690770 /nfs/dbraw/zinc/69/07/70/568690770.db2.gz OQIVHSVICBDHJS-QHCPKHFHSA-N 1 2 414.484 4.787 50 0 HJAALO Clc1ccc(-c2nc3ccccn3c2C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000096190170 568703396 /nfs/dbraw/zinc/70/33/96/568703396.db2.gz BLKIFCXYPPNLBL-UHFFFAOYSA-N 1 2 416.956 4.973 50 0 HJAALO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3noc(-c4ccc(F)cc4)n3)CC2)c(C)c1 ZINC000021724478 568751006 /nfs/dbraw/zinc/75/10/06/568751006.db2.gz IHZYEJGAQOLAAY-UHFFFAOYSA-N 1 2 422.504 4.652 50 0 HJAALO COc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@@H]([NH+]3CCCCC3)O2)cc1OC ZINC000096572611 568761442 /nfs/dbraw/zinc/76/14/42/568761442.db2.gz SDURFNCSDNSPJT-DEOSSOPVSA-N 1 2 411.498 4.734 50 0 HJAALO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000022010776 568764344 /nfs/dbraw/zinc/76/43/44/568764344.db2.gz MSZXEMOAWUAAHP-LBPRGKRZSA-N 1 2 403.317 4.697 50 0 HJAALO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000022010776 568764345 /nfs/dbraw/zinc/76/43/45/568764345.db2.gz MSZXEMOAWUAAHP-LBPRGKRZSA-N 1 2 403.317 4.697 50 0 HJAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000052537588 568769796 /nfs/dbraw/zinc/76/97/96/568769796.db2.gz HQODTXWUVKNYSF-UHFFFAOYSA-N 1 2 421.928 4.893 50 0 HJAALO COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029332592 568824488 /nfs/dbraw/zinc/82/44/88/568824488.db2.gz CWOOGNYKYOGEAX-FOIQADDNSA-N 1 2 412.921 4.540 50 0 HJAALO Cc1c(-c2ccccc2)sc2ncnc(Nc3ccc(N4CCOCC4)[nH+]c3)c12 ZINC000057432173 568836590 /nfs/dbraw/zinc/83/65/90/568836590.db2.gz BTKNVFGMUCSGKA-UHFFFAOYSA-N 1 2 403.511 4.642 50 0 HJAALO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012541230 568848315 /nfs/dbraw/zinc/84/83/15/568848315.db2.gz CWRJEIOYJBKPOB-CQSZACIVSA-N 1 2 406.486 4.934 50 0 HJAALO COc1ccc([C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c2[nH+]ccn2C)cc1 ZINC000012547730 568851111 /nfs/dbraw/zinc/85/11/11/568851111.db2.gz IEXZRDGHJZSDEB-NHCUHLMSSA-N 1 2 411.933 4.728 50 0 HJAALO CC[NH+](CC)c1ccc(C[C@@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@H]23)cc1 ZINC000004158725 568947362 /nfs/dbraw/zinc/94/73/62/568947362.db2.gz MHYKHABQBMXVEA-RSXGOPAZSA-N 1 2 411.549 4.949 50 0 HJAALO CC[N@H+](CCCNC(=O)c1noc2c1CSc1ccccc1-2)c1cccc(C)c1 ZINC000015673918 568962948 /nfs/dbraw/zinc/96/29/48/568962948.db2.gz TYLJYWDIBNMYLV-UHFFFAOYSA-N 1 2 407.539 4.902 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1noc2c1CSc1ccccc1-2)c1cccc(C)c1 ZINC000015673918 568962950 /nfs/dbraw/zinc/96/29/50/568962950.db2.gz TYLJYWDIBNMYLV-UHFFFAOYSA-N 1 2 407.539 4.902 50 0 HJAALO Cc1cc(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c(C)n1C1CC1 ZINC000007987442 568965269 /nfs/dbraw/zinc/96/52/69/568965269.db2.gz WUDGJZLZPXUMLE-UHFFFAOYSA-N 1 2 403.511 4.544 50 0 HJAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008013452 568968537 /nfs/dbraw/zinc/96/85/37/568968537.db2.gz TUIKJVIWVIVCJP-UHFFFAOYSA-N 1 2 404.539 4.615 50 0 HJAALO Cc1sc2nc(C[NH+]3CCCCC3)nc(Sc3nnc(C4CC4)o3)c2c1C ZINC000012813230 568986931 /nfs/dbraw/zinc/98/69/31/568986931.db2.gz NCGWPQYTJXDWPS-UHFFFAOYSA-N 1 2 401.561 4.706 50 0 HJAALO COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[N@H+](C)C2 ZINC000015823472 569011064 /nfs/dbraw/zinc/01/10/64/569011064.db2.gz RIEUVGVCNUQJMC-UHFFFAOYSA-N 1 2 420.943 4.643 50 0 HJAALO COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[N@@H+](C)C2 ZINC000015823472 569011065 /nfs/dbraw/zinc/01/10/65/569011065.db2.gz RIEUVGVCNUQJMC-UHFFFAOYSA-N 1 2 420.943 4.643 50 0 HJAALO O=S(=O)(NCCCCCc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000006133781 569014217 /nfs/dbraw/zinc/01/42/17/569014217.db2.gz YCMVLPIEEATXJC-UHFFFAOYSA-N 1 2 412.342 4.561 50 0 HJAALO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC(F)(F)F)cc1 ZINC000012910531 569021565 /nfs/dbraw/zinc/02/15/65/569021565.db2.gz MAWHYUROTNIKDG-UHFFFAOYSA-N 1 2 407.219 4.963 50 0 HJAALO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC(F)(F)F)cc1 ZINC000012910531 569021566 /nfs/dbraw/zinc/02/15/66/569021566.db2.gz MAWHYUROTNIKDG-UHFFFAOYSA-N 1 2 407.219 4.963 50 0 HJAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000035375639 569034003 /nfs/dbraw/zinc/03/40/03/569034003.db2.gz OTUKDDLHXSNQFC-AYPBNUJASA-N 1 2 422.937 4.777 50 0 HJAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000035375639 569034004 /nfs/dbraw/zinc/03/40/04/569034004.db2.gz OTUKDDLHXSNQFC-AYPBNUJASA-N 1 2 422.937 4.777 50 0 HJAALO O=C(C[N@@H+]1CCc2ccccc2C1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000035515116 569043355 /nfs/dbraw/zinc/04/33/55/569043355.db2.gz WVFCHOPPDJONJW-QFIPXVFZSA-N 1 2 419.912 4.669 50 0 HJAALO O=C(C[N@H+]1CCc2ccccc2C1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000035515116 569043356 /nfs/dbraw/zinc/04/33/56/569043356.db2.gz WVFCHOPPDJONJW-QFIPXVFZSA-N 1 2 419.912 4.669 50 0 HJAALO C[NH+](C)c1ccc(Nc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn32)cc1 ZINC000064482335 569064363 /nfs/dbraw/zinc/06/43/63/569064363.db2.gz XLJSDTHCQYYPFV-UHFFFAOYSA-N 1 2 407.481 4.663 50 0 HJAALO CC[C@H](C(=O)N1CCN(c2cc(C)[nH+]c(-c3cccc(C)c3)n2)CC1)c1ccccc1 ZINC000035889620 569064900 /nfs/dbraw/zinc/06/49/00/569064900.db2.gz YXWAAIBRMWOXDH-QHCPKHFHSA-N 1 2 414.553 4.603 50 0 HJAALO CC[C@@H]1CCCN(C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426428980 569072967 /nfs/dbraw/zinc/07/29/67/569072967.db2.gz OEPPTNQWOKVXAG-QGZVFWFLSA-N 1 2 401.576 4.564 50 0 HJAALO CC[C@@H]1CCCN(C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426428980 569072968 /nfs/dbraw/zinc/07/29/68/569072968.db2.gz OEPPTNQWOKVXAG-QGZVFWFLSA-N 1 2 401.576 4.564 50 0 HJAALO CCN(Cc1ccccc1)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426726908 569074039 /nfs/dbraw/zinc/07/40/39/569074039.db2.gz PTTMYEVHRPHSRA-UHFFFAOYSA-N 1 2 409.555 4.574 50 0 HJAALO CCN(Cc1ccccc1)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426726908 569074040 /nfs/dbraw/zinc/07/40/40/569074040.db2.gz PTTMYEVHRPHSRA-UHFFFAOYSA-N 1 2 409.555 4.574 50 0 HJAALO O=C(c1cccc(F)c1)N(Cc1[nH+]ccn1Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000006689525 569089407 /nfs/dbraw/zinc/08/94/07/569089407.db2.gz QFRQGEGAUIDUEL-UHFFFAOYSA-N 1 2 417.406 4.894 50 0 HJAALO CC(C)NC(=O)N(Cc1ccco1)Cc1[nH+]ccn1Cc1ccc(C(F)(F)F)cc1 ZINC000006689737 569089417 /nfs/dbraw/zinc/08/94/17/569089417.db2.gz TUOMOGVTTGZLFS-UHFFFAOYSA-N 1 2 420.435 4.663 50 0 HJAALO CCN(C)C(=O)c1ccc(CSc2nc(N(CC)CC)cc(C(C)C)[nH+]2)cc1 ZINC000006695749 569091553 /nfs/dbraw/zinc/09/15/53/569091553.db2.gz IIBSNIBUROBTJH-UHFFFAOYSA-N 1 2 400.592 4.830 50 0 HJAALO O=C(c1c[nH+]c2ccccc2c1Nc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000064819970 569102339 /nfs/dbraw/zinc/10/23/39/569102339.db2.gz HNFPHFOXWZCPJT-UHFFFAOYSA-N 1 2 402.281 4.758 50 0 HJAALO Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000089595743 569261032 /nfs/dbraw/zinc/26/10/32/569261032.db2.gz CBUWERYVNXPVQM-UHFFFAOYSA-N 1 2 401.436 4.807 50 0 HJAALO Cc1cc2[nH+]c(Cc3ccccc3F)n([C@H](C)C(=O)NCc3ccccn3)c2cc1C ZINC000037397497 569296809 /nfs/dbraw/zinc/29/68/09/569296809.db2.gz RABNWEAMDMSFMY-GOSISDBHSA-N 1 2 416.500 4.655 50 0 HJAALO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1coc3ccccc3c1=O)[NH2+]C2 ZINC000054979035 569372897 /nfs/dbraw/zinc/37/28/97/569372897.db2.gz TYSGOOQFEPLJAB-DEOSSOPVSA-N 1 2 416.477 4.574 50 0 HJAALO Cc1cc(C)cc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000002447397 569401875 /nfs/dbraw/zinc/40/18/75/569401875.db2.gz AJPHKKPZXUILQG-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000013141287 569409871 /nfs/dbraw/zinc/40/98/71/569409871.db2.gz UKTYHSBITJZGAP-QHCPKHFHSA-N 1 2 423.919 4.981 50 0 HJAALO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000244969041 571210939 /nfs/dbraw/zinc/21/09/39/571210939.db2.gz GVOWUEGOFKGQQJ-LJQANCHMSA-N 1 2 418.990 4.651 50 0 HJAALO Clc1ccc(-c2nnc(CSc3[nH+]cnc4c3cnn4-c3ccccc3)o2)cc1 ZINC000009963812 571293060 /nfs/dbraw/zinc/29/30/60/571293060.db2.gz CUOCPYOYSJHFEE-UHFFFAOYSA-N 1 2 420.885 4.811 50 0 HJAALO CC[C@@H](C)NC(=O)CCC(=O)Nc1ccc2[nH+]c(N3C[C@H](C)C[C@H](C)C3)cc(C)c2c1 ZINC000004881787 132291530 /nfs/dbraw/zinc/29/15/30/132291530.db2.gz YSXMEJABVQDFFB-ZIFCJYIRSA-N 1 2 424.589 4.659 50 0 HJAALO O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008753469 132333131 /nfs/dbraw/zinc/33/31/31/132333131.db2.gz YMYWCCDKWNTHPU-UHFFFAOYSA-N 1 2 402.281 4.611 50 0 HJAALO CSc1ccc(-c2nc(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)c(C)o2)cc1 ZINC000012075470 132353515 /nfs/dbraw/zinc/35/35/15/132353515.db2.gz WDDCEUYMGZCLPO-UHFFFAOYSA-N 1 2 414.962 4.743 50 0 HJAALO Cc1cc(N2CCN([C@H](C)c3nc4ccccc4n3C(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000032879219 525083622 /nfs/dbraw/zinc/08/36/22/525083622.db2.gz GFURJQCTYZEIKB-MRXNPFEDSA-N 1 2 414.504 4.536 50 0 HJAALO Cc1cc(O[C@H](C)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)ccc1C(C)C ZINC000048354123 525381912 /nfs/dbraw/zinc/38/19/12/525381912.db2.gz IFJAOSVAEFTBBH-VGSWGCGISA-N 1 2 409.505 4.664 50 0 HJAALO Cc1cc2c(cc1C)N(C(=O)C[NH+]1CCN(c3ccccc3)CC1)C(C)(C)C=C2C ZINC000020102273 525591966 /nfs/dbraw/zinc/59/19/66/525591966.db2.gz JZBURBLVHMCZDJ-UHFFFAOYSA-N 1 2 403.570 4.654 50 0 HJAALO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000044380306 525941888 /nfs/dbraw/zinc/94/18/88/525941888.db2.gz TYVAIYWTBPGZBY-KKSFZXQISA-N 1 2 409.505 4.530 50 0 HJAALO Cn1c(CCc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2)[nH+]c2ccccc21 ZINC000032960909 527050026 /nfs/dbraw/zinc/05/00/26/527050026.db2.gz VHSUDAVBUKIRMI-UHFFFAOYSA-N 1 2 423.520 4.806 50 0 HJAALO COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000001069396 557168514 /nfs/dbraw/zinc/16/85/14/557168514.db2.gz RKUFWYZCLJTRPV-HSZRJFAPSA-N 1 2 410.477 4.973 50 0 HJAALO O=C(Cc1ccccc1)NC1CCN(c2[nH+]c3ccccc3n2C2CCCCC2)CC1 ZINC000034907135 557474245 /nfs/dbraw/zinc/47/42/45/557474245.db2.gz DXRVNVWJDMQYIW-UHFFFAOYSA-N 1 2 416.569 4.869 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)CC1)S2 ZINC000022853347 557840222 /nfs/dbraw/zinc/84/02/22/557840222.db2.gz CPRUHYJUCXVLLU-MRXNPFEDSA-N 1 2 424.492 4.899 50 0 HJAALO c1ccc(Oc2ccc(Nc3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)cc2)cc1 ZINC000004331142 558262799 /nfs/dbraw/zinc/26/27/99/558262799.db2.gz UUGOZAXDZJFKLO-UHFFFAOYSA-N 1 2 402.502 4.608 50 0 HJAALO O=C(c1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000011717587 558271771 /nfs/dbraw/zinc/27/17/71/558271771.db2.gz BJNIYUKNFMKNOY-QGZVFWFLSA-N 1 2 415.415 4.850 50 0 HJAALO O=C(c1ccccc1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000011717587 558271775 /nfs/dbraw/zinc/27/17/75/558271775.db2.gz BJNIYUKNFMKNOY-QGZVFWFLSA-N 1 2 415.415 4.850 50 0 HJAALO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc1 ZINC000011935985 558300037 /nfs/dbraw/zinc/30/00/37/558300037.db2.gz AJBANASYLGTBAX-LJQANCHMSA-N 1 2 421.566 4.698 50 0 HJAALO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc1 ZINC000011935985 558300039 /nfs/dbraw/zinc/30/00/39/558300039.db2.gz AJBANASYLGTBAX-LJQANCHMSA-N 1 2 421.566 4.698 50 0 HJAALO Cc1cccc(OCC(=O)N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000019889204 558302534 /nfs/dbraw/zinc/30/25/34/558302534.db2.gz YXABUMPOTNTBOV-UHFFFAOYSA-N 1 2 416.521 4.511 50 0 HJAALO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000019909398 558306396 /nfs/dbraw/zinc/30/63/96/558306396.db2.gz IWQJMRBOMOJZJC-QFIPXVFZSA-N 1 2 422.956 4.569 50 0 HJAALO O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1C[NH+]1CCCCC1 ZINC000019911696 558306578 /nfs/dbraw/zinc/30/65/78/558306578.db2.gz MIEUGUIQMWTOAG-RCCKNPSSSA-N 1 2 408.523 4.745 50 0 HJAALO C[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)C1 ZINC000020101676 558332021 /nfs/dbraw/zinc/33/20/21/558332021.db2.gz WPONRDPKUNYEQI-UHFFFAOYSA-N 1 2 411.383 4.861 50 0 HJAALO C[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)C1 ZINC000020101676 558332025 /nfs/dbraw/zinc/33/20/25/558332025.db2.gz WPONRDPKUNYEQI-UHFFFAOYSA-N 1 2 411.383 4.861 50 0 HJAALO C[C@](O)(COc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1)CCO2 ZINC000012130691 558332508 /nfs/dbraw/zinc/33/25/08/558332508.db2.gz VCQJLZYLYNSMSV-VWLOTQADSA-N 1 2 407.485 4.507 50 0 HJAALO C[C@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000012130691 558332511 /nfs/dbraw/zinc/33/25/11/558332511.db2.gz VCQJLZYLYNSMSV-VWLOTQADSA-N 1 2 407.485 4.507 50 0 HJAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c(F)c1 ZINC000020202014 558346041 /nfs/dbraw/zinc/34/60/41/558346041.db2.gz ZBLPDQRKUZVVQY-DEOSSOPVSA-N 1 2 404.489 4.550 50 0 HJAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c(F)c1 ZINC000020202014 558346042 /nfs/dbraw/zinc/34/60/42/558346042.db2.gz ZBLPDQRKUZVVQY-DEOSSOPVSA-N 1 2 404.489 4.550 50 0 HJAALO CCn1ccnc1C[N@H+](C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012300309 558370115 /nfs/dbraw/zinc/37/01/15/558370115.db2.gz FMJUJDZQLYDFJY-UHFFFAOYSA-N 1 2 401.514 4.728 50 0 HJAALO CCn1ccnc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012300309 558370117 /nfs/dbraw/zinc/37/01/17/558370117.db2.gz FMJUJDZQLYDFJY-UHFFFAOYSA-N 1 2 401.514 4.728 50 0 HJAALO CCn1cc[nH+]c1CN(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012300309 558370118 /nfs/dbraw/zinc/37/01/18/558370118.db2.gz FMJUJDZQLYDFJY-UHFFFAOYSA-N 1 2 401.514 4.728 50 0 HJAALO Fc1ccc2[nH]c(C3CCN(c4nncc(-c5cccc(Cl)c5)n4)CC3)[nH+]c2c1 ZINC000012446633 558414198 /nfs/dbraw/zinc/41/41/98/558414198.db2.gz IZANPNMCQQFWEY-UHFFFAOYSA-N 1 2 408.868 4.591 50 0 HJAALO COc1ccc(C(=O)C[N@H+]2c3ccccc3N(Cc3ccccc3Cl)C2=N)cc1 ZINC000020841417 558417397 /nfs/dbraw/zinc/41/73/97/558417397.db2.gz RBIKMQFQYNUQPA-UHFFFAOYSA-N 1 2 405.885 4.515 50 0 HJAALO COc1ccc(C(=O)C[N@@H+]2c3ccccc3N(Cc3ccccc3Cl)C2=N)cc1 ZINC000020841417 558417398 /nfs/dbraw/zinc/41/73/98/558417398.db2.gz RBIKMQFQYNUQPA-UHFFFAOYSA-N 1 2 405.885 4.515 50 0 HJAALO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000072058559 558443542 /nfs/dbraw/zinc/44/35/42/558443542.db2.gz UXDFFQLISYHZSJ-JOCHJYFZSA-N 1 2 400.482 4.733 50 0 HJAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)C1 ZINC000012993732 558497738 /nfs/dbraw/zinc/49/77/38/558497738.db2.gz WJGXDBIQFJJFOR-AWEZNQCLSA-N 1 2 407.967 4.825 50 0 HJAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)C1 ZINC000012993732 558497739 /nfs/dbraw/zinc/49/77/39/558497739.db2.gz WJGXDBIQFJJFOR-AWEZNQCLSA-N 1 2 407.967 4.825 50 0 HJAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4CC[C@@H]5CCCC[C@H]5C4)cc3)cn2c1 ZINC000023233248 558544049 /nfs/dbraw/zinc/54/40/49/558544049.db2.gz ZNKUVEYZUAZQOY-FPOVZHCZSA-N 1 2 403.526 4.874 50 0 HJAALO O=c1[nH]c(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2cc(Cl)ccc12 ZINC000023883278 558580301 /nfs/dbraw/zinc/58/03/01/558580301.db2.gz HKTFMEMFOZGTTJ-ZDUSSCGKSA-N 1 2 410.930 4.566 50 0 HJAALO O=c1[nH]c(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2cc(Cl)ccc12 ZINC000023883278 558580304 /nfs/dbraw/zinc/58/03/04/558580304.db2.gz HKTFMEMFOZGTTJ-ZDUSSCGKSA-N 1 2 410.930 4.566 50 0 HJAALO Cc1cc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)[nH+]c2ccccc12 ZINC000013727579 558584991 /nfs/dbraw/zinc/58/49/91/558584991.db2.gz AZXPZBQZAANVLJ-UHFFFAOYSA-N 1 2 412.537 4.696 50 0 HJAALO COc1ccc2cc(C[N@H+](C)Cn3nc(-c4ccoc4C)n(C)c3=S)ccc2c1 ZINC000024452589 558598131 /nfs/dbraw/zinc/59/81/31/558598131.db2.gz PGNHBMUJZHCLKX-UHFFFAOYSA-N 1 2 408.527 4.771 50 0 HJAALO COc1ccc2cc(C[N@@H+](C)Cn3nc(-c4ccoc4C)n(C)c3=S)ccc2c1 ZINC000024452589 558598133 /nfs/dbraw/zinc/59/81/33/558598133.db2.gz PGNHBMUJZHCLKX-UHFFFAOYSA-N 1 2 408.527 4.771 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCCSc1ccccc1)c1ccc(Cl)cc1 ZINC000029728308 558719379 /nfs/dbraw/zinc/71/93/79/558719379.db2.gz AGHDKDMDCOJLCH-LJQANCHMSA-N 1 2 414.962 4.645 50 0 HJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)[nH+]1 ZINC000017013187 558811674 /nfs/dbraw/zinc/81/16/74/558811674.db2.gz MAZQJOAMHLBSHU-UHFFFAOYSA-N 1 2 409.440 4.659 50 0 HJAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1ccc(C2SCCCS2)cc1 ZINC000010644188 558836529 /nfs/dbraw/zinc/83/65/29/558836529.db2.gz JLZWJTLOBCNKRG-LJQANCHMSA-N 1 2 409.580 4.992 50 0 HJAALO Cc1nc2sc(-c3ccccc3)cc2c(N2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC000072313954 558841487 /nfs/dbraw/zinc/84/14/87/558841487.db2.gz SKBAOFOXYKDWOB-UHFFFAOYSA-N 1 2 402.514 4.832 50 0 HJAALO Cc1nc2sc(-c3ccccc3)cc2c(N2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC000072313954 558841488 /nfs/dbraw/zinc/84/14/88/558841488.db2.gz SKBAOFOXYKDWOB-UHFFFAOYSA-N 1 2 402.514 4.832 50 0 HJAALO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000060334926 558850322 /nfs/dbraw/zinc/85/03/22/558850322.db2.gz QSPUHLPKQIKHHD-UHFFFAOYSA-N 1 2 420.582 4.871 50 0 HJAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000055447604 558881264 /nfs/dbraw/zinc/88/12/64/558881264.db2.gz XECRCZUHNWUOJC-QFIPXVFZSA-N 1 2 403.917 4.846 50 0 HJAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000055447604 558881266 /nfs/dbraw/zinc/88/12/66/558881266.db2.gz XECRCZUHNWUOJC-QFIPXVFZSA-N 1 2 403.917 4.846 50 0 HJAALO COc1ccc(C[N@H+](C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1C ZINC000055447648 558881493 /nfs/dbraw/zinc/88/14/93/558881493.db2.gz NOIOTXMHRFONQN-DEOSSOPVSA-N 1 2 413.525 4.509 50 0 HJAALO COc1ccc(C[N@@H+](C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1C ZINC000055447648 558881496 /nfs/dbraw/zinc/88/14/96/558881496.db2.gz NOIOTXMHRFONQN-DEOSSOPVSA-N 1 2 413.525 4.509 50 0 HJAALO CC(C)(C)N1CC2(c3ccccc3)C[NH+](C(C)(C)C)CC(c3ccccc3)(C1)C2=O ZINC000096901745 558998821 /nfs/dbraw/zinc/99/88/21/558998821.db2.gz AGGRFNRAFABJFX-UHFFFAOYSA-N 1 2 404.598 4.660 50 0 HJAALO CCN(CC)c1ccc(NC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c(C)c1 ZINC000004911500 559202717 /nfs/dbraw/zinc/20/27/17/559202717.db2.gz XCTADJDINPUOIA-UHFFFAOYSA-N 1 2 405.546 4.573 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000248158138 559265721 /nfs/dbraw/zinc/26/57/21/559265721.db2.gz WESZFEPIDFFJTJ-UPVQGACJSA-N 1 2 403.526 4.859 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000248158138 559265722 /nfs/dbraw/zinc/26/57/22/559265722.db2.gz WESZFEPIDFFJTJ-UPVQGACJSA-N 1 2 403.526 4.859 50 0 HJAALO Clc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000005516448 560604390 /nfs/dbraw/zinc/60/43/90/560604390.db2.gz BCWVHXCPRQTUQB-FGZHOGPDSA-N 1 2 413.868 4.539 50 0 HJAALO C[C@H]1CCC[N@@H+]([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000102894519 560833285 /nfs/dbraw/zinc/83/32/85/560833285.db2.gz RMHJLCAYZVGRSG-SWLSCSKDSA-N 1 2 400.529 4.639 50 0 HJAALO C[C@H]1CCC[N@H+]([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000102894519 560833287 /nfs/dbraw/zinc/83/32/87/560833287.db2.gz RMHJLCAYZVGRSG-SWLSCSKDSA-N 1 2 400.529 4.639 50 0 HJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)c1 ZINC000055543945 568488963 /nfs/dbraw/zinc/48/89/63/568488963.db2.gz SSUMNHSOPQTAIG-UHFFFAOYSA-N 1 2 405.283 4.852 50 0 HJAALO COc1ccc(NC(=O)Cn2ccc3c2cc[nH+]c3SCc2ccccc2)cc1 ZINC000033298608 568513195 /nfs/dbraw/zinc/51/31/95/568513195.db2.gz HOGFITXSFKVMDD-UHFFFAOYSA-N 1 2 403.507 4.976 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)no2)cc1 ZINC000021724620 568751175 /nfs/dbraw/zinc/75/11/75/568751175.db2.gz NSGOUFMWCFGLBZ-QGZVFWFLSA-N 1 2 410.905 4.549 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)no2)cc1 ZINC000021724620 568751176 /nfs/dbraw/zinc/75/11/76/568751176.db2.gz NSGOUFMWCFGLBZ-QGZVFWFLSA-N 1 2 410.905 4.549 50 0 HJAALO Cc1ccc([C@H](C2Sc3ncnn3C2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000022609255 568771787 /nfs/dbraw/zinc/77/17/87/568771787.db2.gz RLHAABWUEQPUKM-OAQYLSRUSA-N 1 2 418.566 4.849 50 0 HJAALO O=C(NCCc1ccc(F)cc1)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000028276694 568783725 /nfs/dbraw/zinc/78/37/25/568783725.db2.gz ZKIYHSDIUKDDJR-UHFFFAOYSA-N 1 2 405.498 4.738 50 0 HJAALO Cc1cc(C)c2c(n1)sc1c2ncnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000057135233 568824369 /nfs/dbraw/zinc/82/43/69/568824369.db2.gz DPWHWIYFNKEXGB-UHFFFAOYSA-N 1 2 423.973 4.832 50 0 HJAALO C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000057611496 568855498 /nfs/dbraw/zinc/85/54/98/568855498.db2.gz YUQGDVFHHITOKI-XJKSGUPXSA-N 1 2 410.568 4.950 50 0 HJAALO C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@H+]1CCC[C@@H]1c1cccn1C ZINC000057611496 568855500 /nfs/dbraw/zinc/85/55/00/568855500.db2.gz YUQGDVFHHITOKI-XJKSGUPXSA-N 1 2 410.568 4.950 50 0 HJAALO COc1ccccc1[C@H](NC(=O)c1oc2ccc(Cl)cc2c1C)c1[nH+]ccn1C ZINC000012602096 568870213 /nfs/dbraw/zinc/87/02/13/568870213.db2.gz PSAFWWYUCPAMES-IBGZPJMESA-N 1 2 409.873 4.656 50 0 HJAALO C[NH+](C)[C@H](Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)C(=O)c1ccccc1 ZINC000003282632 568871982 /nfs/dbraw/zinc/87/19/82/568871982.db2.gz DVTRUXYSKRGOTE-RDGATRHJSA-N 1 2 405.469 4.789 50 0 HJAALO Cc1ccc2[nH+]c(COC(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)cn2c1 ZINC000031172702 568916943 /nfs/dbraw/zinc/91/69/43/568916943.db2.gz BAOGKHFJNSOUSE-UHFFFAOYSA-N 1 2 415.453 4.585 50 0 HJAALO O=C(/C=C/c1ccc(Br)cc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000058413903 568917018 /nfs/dbraw/zinc/91/70/18/568917018.db2.gz LYISVBLITVBBAC-XYOKQWHBSA-N 1 2 414.347 4.554 50 0 HJAALO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](CCO)Cc2ccccc2)cc1 ZINC000003614217 568920164 /nfs/dbraw/zinc/92/01/64/568920164.db2.gz WDBPHARKEUFSRI-RUZDIDTESA-N 1 2 402.538 4.984 50 0 HJAALO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000003614217 568920167 /nfs/dbraw/zinc/92/01/67/568920167.db2.gz WDBPHARKEUFSRI-RUZDIDTESA-N 1 2 402.538 4.984 50 0 HJAALO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2nc3ccccc3s2)c(Br)c1 ZINC000012772571 568952794 /nfs/dbraw/zinc/95/27/94/568952794.db2.gz KXMJMLLMGXKELE-CYBMUJFWSA-N 1 2 418.360 4.826 50 0 HJAALO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2nc3ccccc3s2)c(Br)c1 ZINC000012772571 568952795 /nfs/dbraw/zinc/95/27/95/568952795.db2.gz KXMJMLLMGXKELE-CYBMUJFWSA-N 1 2 418.360 4.826 50 0 HJAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007985147 568964305 /nfs/dbraw/zinc/96/43/05/568964305.db2.gz RFRMXDRUIKVNHR-UHFFFAOYSA-N 1 2 411.505 4.667 50 0 HJAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007985147 568964307 /nfs/dbraw/zinc/96/43/07/568964307.db2.gz RFRMXDRUIKVNHR-UHFFFAOYSA-N 1 2 411.505 4.667 50 0 HJAALO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Cl)cc2c1OCOC2 ZINC000008152286 568977455 /nfs/dbraw/zinc/97/74/55/568977455.db2.gz KIDBOTJZCSESFB-UHFFFAOYSA-N 1 2 415.704 4.584 50 0 HJAALO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Cl)cc2c1OCOC2 ZINC000008152286 568977457 /nfs/dbraw/zinc/97/74/57/568977457.db2.gz KIDBOTJZCSESFB-UHFFFAOYSA-N 1 2 415.704 4.584 50 0 HJAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C)n(Cc3ccccc3)c2=S)c(OC)c1 ZINC000008151260 568977504 /nfs/dbraw/zinc/97/75/04/568977504.db2.gz BNVVEVWIQWOYLW-OAQYLSRUSA-N 1 2 424.570 4.583 50 0 HJAALO COc1ccc([C@H]2CCC[N@H+]2Cn2nc(C)n(Cc3ccccc3)c2=S)c(OC)c1 ZINC000008151260 568977506 /nfs/dbraw/zinc/97/75/06/568977506.db2.gz BNVVEVWIQWOYLW-OAQYLSRUSA-N 1 2 424.570 4.583 50 0 HJAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1Cl ZINC000008310317 568988567 /nfs/dbraw/zinc/98/85/67/568988567.db2.gz MGHZJGCVTKDATP-GOSISDBHSA-N 1 2 421.324 4.930 50 0 HJAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1Cl ZINC000008310317 568988568 /nfs/dbraw/zinc/98/85/68/568988568.db2.gz MGHZJGCVTKDATP-GOSISDBHSA-N 1 2 421.324 4.930 50 0 HJAALO Cn1c(CCc2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)[nH+]c2ccccc21 ZINC000015863706 569016261 /nfs/dbraw/zinc/01/62/61/569016261.db2.gz SUFPDXYNQLEBTJ-UHFFFAOYSA-N 1 2 423.472 4.717 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NS(=O)(=O)c2ccccc2C)cc1 ZINC000015870582 569017374 /nfs/dbraw/zinc/01/73/74/569017374.db2.gz ZDACFWICCUCCDF-UHFFFAOYSA-N 1 2 419.550 4.951 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 ZINC000016262978 569030326 /nfs/dbraw/zinc/03/03/26/569030326.db2.gz CRUYYQAENYJSKV-FQEVSTJZSA-N 1 2 409.848 4.992 50 0 HJAALO O=C(Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000035598170 569045879 /nfs/dbraw/zinc/04/58/79/569045879.db2.gz MNLXSPNAPXCTQT-UHFFFAOYSA-N 1 2 424.386 4.677 50 0 HJAALO C[N@H+](Cc1csc(-c2ccc(Cl)cc2)n1)Cc1ccccc1N1CCOCC1 ZINC000016424794 569048329 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PDGMUUUYUNLKML-UHFFFAOYSA-N 1 2 423.582 4.760 50 0 HJAALO Cc1cccc(OCC[N@H+](C)Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000015100467 569298299 /nfs/dbraw/zinc/29/82/99/569298299.db2.gz PDGMUUUYUNLKML-UHFFFAOYSA-N 1 2 423.582 4.760 50 0 HJAALO Cc1noc(C)c1CSCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2-c1ccccc1 ZINC000007738405 569305137 /nfs/dbraw/zinc/30/51/37/569305137.db2.gz UXBNLHALECEIJQ-UHFFFAOYSA-N 1 2 406.511 4.811 50 0 HJAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000007921979 569327132 /nfs/dbraw/zinc/32/71/32/569327132.db2.gz SZWBRZRYTIMVGQ-GFCCVEGCSA-N 1 2 404.333 4.690 50 0 HJAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000007921979 569327134 /nfs/dbraw/zinc/32/71/34/569327134.db2.gz SZWBRZRYTIMVGQ-GFCCVEGCSA-N 1 2 404.333 4.690 50 0 HJAALO COC(=O)c1cccc(NC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)c1 ZINC000013348186 569410864 /nfs/dbraw/zinc/41/08/64/569410864.db2.gz WFAQEUUGOJAGRG-UHFFFAOYSA-N 1 2 414.465 4.779 50 0 HJAALO CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000008706442 571103976 /nfs/dbraw/zinc/10/39/76/571103976.db2.gz SVQRDOGMGJUEHO-UHFFFAOYSA-N 1 2 409.433 4.873 50 0 HJAALO CC(C)c1noc(C[NH+]2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069655425 571236905 /nfs/dbraw/zinc/23/69/05/571236905.db2.gz LSCXVPREFFZKDB-MRXNPFEDSA-N 1 2 413.909 4.666 50 0 HJAALO Cc1cc2sc(N(CCCn3cc[nH+]c3)C(=O)c3ccc(F)cc3)nc2c(C)c1 ZINC000010381597 571301627 /nfs/dbraw/zinc/30/16/27/571301627.db2.gz KNLFYISBQWPHBK-UHFFFAOYSA-N 1 2 408.502 4.986 50 0 HJAALO Cc1ccc(N2C(=O)c3ccccc3/C(=C\c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000037190254 132228020 /nfs/dbraw/zinc/22/80/20/132228020.db2.gz RJFSQTZEMYKKTB-LFVJCYFKSA-N 1 2 405.457 4.908 50 0 HJAALO Cc1cccc(-c2nc(N3CCN(C(=O)c4ccccc4)CC3)c(C(C)C)c(C)[nH+]2)c1 ZINC000006705928 132313274 /nfs/dbraw/zinc/31/32/74/132313274.db2.gz KLBKUCIGTIJYNN-UHFFFAOYSA-N 1 2 414.553 4.846 50 0 HJAALO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000032902833 524089930 /nfs/dbraw/zinc/08/99/30/524089930.db2.gz AEHBUWKKHJYDDX-UHFFFAOYSA-N 1 2 423.516 4.709 50 0 HJAALO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000045651156 525012894 /nfs/dbraw/zinc/01/28/94/525012894.db2.gz YLEIURAAPGUILU-UHFFFAOYSA-N 1 2 420.476 4.681 50 0 HJAALO Cc1ccc(SCCNC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000032802269 525658046 /nfs/dbraw/zinc/65/80/46/525658046.db2.gz VQNMSJWZXKYULA-LJQANCHMSA-N 1 2 414.962 4.563 50 0 HJAALO COc1ccc(CC(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)cc1OC ZINC000000629951 557025553 /nfs/dbraw/zinc/02/55/53/557025553.db2.gz UAAMCCFTNYAEKM-UHFFFAOYSA-N 1 2 401.466 4.508 50 0 HJAALO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=[NH+]3)cc1 ZINC000000632223 557027345 /nfs/dbraw/zinc/02/73/45/557027345.db2.gz HONMPFMPCHIUPH-NHCUHLMSSA-N 1 2 402.454 4.691 50 0 HJAALO COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000001069402 557168418 /nfs/dbraw/zinc/16/84/18/557168418.db2.gz RKUFWYZCLJTRPV-QHCPKHFHSA-N 1 2 410.477 4.973 50 0 HJAALO Cc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc(O)cc1 ZINC000004742066 557591176 /nfs/dbraw/zinc/59/11/76/557591176.db2.gz IBGZPTSHPAYLFD-QHCPKHFHSA-N 1 2 410.477 4.978 50 0 HJAALO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc1 ZINC000011935986 558299966 /nfs/dbraw/zinc/29/99/66/558299966.db2.gz AJBANASYLGTBAX-IBGZPJMESA-N 1 2 421.566 4.698 50 0 HJAALO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc1 ZINC000011935986 558299969 /nfs/dbraw/zinc/29/99/69/558299969.db2.gz AJBANASYLGTBAX-IBGZPJMESA-N 1 2 421.566 4.698 50 0 HJAALO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012465188 558420138 /nfs/dbraw/zinc/42/01/38/558420138.db2.gz CNGJYIPKRVIRMI-MRXNPFEDSA-N 1 2 410.495 4.535 50 0 HJAALO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012465188 558420140 /nfs/dbraw/zinc/42/01/40/558420140.db2.gz CNGJYIPKRVIRMI-MRXNPFEDSA-N 1 2 410.495 4.535 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000004341740 558425449 /nfs/dbraw/zinc/42/54/49/558425449.db2.gz KTGBTUFHCLRUHA-UHFFFAOYSA-N 1 2 417.538 4.780 50 0 HJAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(F)cc3Br)n2)C1 ZINC000012793542 558467093 /nfs/dbraw/zinc/46/70/93/558467093.db2.gz RLGFRBOZABPVDM-LLVKDONJSA-N 1 2 412.328 4.529 50 0 HJAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(F)cc3Br)n2)C1 ZINC000012793542 558467095 /nfs/dbraw/zinc/46/70/95/558467095.db2.gz RLGFRBOZABPVDM-LLVKDONJSA-N 1 2 412.328 4.529 50 0 HJAALO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@H+](C)Cc1ccc(Cl)cc1)C2=O ZINC000013073992 558511924 /nfs/dbraw/zinc/51/19/24/558511924.db2.gz GDOQWBUIRFJXKB-UHFFFAOYSA-N 1 2 405.970 4.646 50 0 HJAALO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@@H+](C)Cc1ccc(Cl)cc1)C2=O ZINC000013073992 558511927 /nfs/dbraw/zinc/51/19/27/558511927.db2.gz GDOQWBUIRFJXKB-UHFFFAOYSA-N 1 2 405.970 4.646 50 0 HJAALO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=[NH+]3)cc1 ZINC000013122778 558517451 /nfs/dbraw/zinc/51/74/51/558517451.db2.gz DSVOYVNWGMJQFR-VXKWHMMOSA-N 1 2 414.490 4.561 50 0 HJAALO CCCCCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000023101151 558534389 /nfs/dbraw/zinc/53/43/89/558534389.db2.gz BKNRYINOJFWJAT-UHFFFAOYSA-N 1 2 423.557 4.530 50 0 HJAALO CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c(NN)[nH+]1 ZINC000013514338 558536103 /nfs/dbraw/zinc/53/61/03/558536103.db2.gz BCBOREICZFKWAS-UHFFFAOYSA-N 1 2 423.567 4.765 50 0 HJAALO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)sc2nc(C)cc(C)c12 ZINC000023778186 558575640 /nfs/dbraw/zinc/57/56/40/558575640.db2.gz ZVDMIEFHPQPNOW-SFHVURJKSA-N 1 2 408.502 4.614 50 0 HJAALO C[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329191 558638366 /nfs/dbraw/zinc/63/83/66/558638366.db2.gz BIFGJZQFTVKJMP-LIRRHRJNSA-N 1 2 424.397 4.742 50 0 HJAALO Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)oc2c1C ZINC000028290359 558696762 /nfs/dbraw/zinc/69/67/62/558696762.db2.gz XCCUGFPFXVKTGM-FQEVSTJZSA-N 1 2 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CC(C)Cc1ccc(C(=O)[C@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020421559 558361866 /nfs/dbraw/zinc/36/18/66/558361866.db2.gz LQLKKXZJZVVRIS-KRWDZBQOSA-N 1 2 419.491 4.692 50 0 HJAALO Cc1c[nH]c(C[N@@H+](C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)n1 ZINC000020782421 558413268 /nfs/dbraw/zinc/41/32/68/558413268.db2.gz BWQPYWLXPQXIJM-UHFFFAOYSA-N 1 2 407.468 4.789 50 0 HJAALO Cc1c[nH]c(C[N@H+](C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)n1 ZINC000020782421 558413271 /nfs/dbraw/zinc/41/32/71/558413271.db2.gz BWQPYWLXPQXIJM-UHFFFAOYSA-N 1 2 407.468 4.789 50 0 HJAALO Cc1c[nH]c(CN(C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)[nH+]1 ZINC000020782421 558413274 /nfs/dbraw/zinc/41/32/74/558413274.db2.gz BWQPYWLXPQXIJM-UHFFFAOYSA-N 1 2 407.468 4.789 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@@H](C)c2ccon2)c(F)c1 ZINC000012704005 558448944 /nfs/dbraw/zinc/44/89/44/558448944.db2.gz WXTZBKXYMZULAJ-INIZCTEOSA-N 1 2 406.461 4.868 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@@H](C)c2ccon2)c(F)c1 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IEUVEOWSGZXWKG-MRXNPFEDSA-N 1 2 407.297 4.540 50 0 HJAALO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000022784169 558510589 /nfs/dbraw/zinc/51/05/89/558510589.db2.gz ZDBJYPONRHTSAD-XMMPIXPASA-N 1 2 419.594 4.863 50 0 HJAALO C[C@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022792809 558512192 /nfs/dbraw/zinc/51/21/92/558512192.db2.gz JNHKUFUABZDVJS-OAHLLOKOSA-N 1 2 404.892 4.964 50 0 HJAALO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000022800038 558513005 /nfs/dbraw/zinc/51/30/05/558513005.db2.gz KBPFNQCELIMBOJ-DEOSSOPVSA-N 1 2 419.594 4.863 50 0 HJAALO C[C@@H](c1nnc(SCCCOc2ccc(F)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004490700 558609267 /nfs/dbraw/zinc/60/92/67/558609267.db2.gz MNSZKDSRAXEVQQ-HNNXBMFYSA-N 1 2 418.513 4.729 50 0 HJAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(Cc3cccs3)n(C)c2=S)cc1 ZINC000014185911 558631041 /nfs/dbraw/zinc/63/10/41/558631041.db2.gz VVAWVNGQZMYMQY-IBGZPJMESA-N 1 2 414.600 4.797 50 0 HJAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2nc(Cc3cccs3)n(C)c2=S)cc1 ZINC000014185911 558631042 /nfs/dbraw/zinc/63/10/42/558631042.db2.gz VVAWVNGQZMYMQY-IBGZPJMESA-N 1 2 414.600 4.797 50 0 HJAALO COc1ccc(C[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C2CC2)cc1 ZINC000025312242 558637499 /nfs/dbraw/zinc/63/74/99/558637499.db2.gz UYZOOBGIBVTXMF-UHFFFAOYSA-N 1 2 403.404 4.929 50 0 HJAALO COc1ccc(C[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C2CC2)cc1 ZINC000025312242 558637502 /nfs/dbraw/zinc/63/75/02/558637502.db2.gz UYZOOBGIBVTXMF-UHFFFAOYSA-N 1 2 403.404 4.929 50 0 HJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2ncn(CCc3cccs3)c2=S)cc1 ZINC000014210688 558637746 /nfs/dbraw/zinc/63/77/46/558637746.db2.gz OCKBQTPLUKZFOH-IBGZPJMESA-N 1 2 400.573 4.521 50 0 HJAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2ncn(CCc3cccs3)c2=S)cc1 ZINC000014210688 558637749 /nfs/dbraw/zinc/63/77/49/558637749.db2.gz OCKBQTPLUKZFOH-IBGZPJMESA-N 1 2 400.573 4.521 50 0 HJAALO CCOc1ccc(C[N@H+](C)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC ZINC000014672825 558663085 /nfs/dbraw/zinc/66/30/85/558663085.db2.gz NXBCRCIPEOUADW-UHFFFAOYSA-N 1 2 400.906 4.936 50 0 HJAALO CCOc1ccc(C[N@@H+](C)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC ZINC000014672825 558663087 /nfs/dbraw/zinc/66/30/87/558663087.db2.gz NXBCRCIPEOUADW-UHFFFAOYSA-N 1 2 400.906 4.936 50 0 HJAALO COc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)cc1OC ZINC000028273162 558694018 /nfs/dbraw/zinc/69/40/18/558694018.db2.gz JNJMDVHULXDAGR-UHFFFAOYSA-N 1 2 419.506 4.896 50 0 HJAALO Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028288649 558695562 /nfs/dbraw/zinc/69/55/62/558695562.db2.gz FNMBDAOGANIHBL-FQEVSTJZSA-N 1 2 424.928 4.712 50 0 HJAALO COc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](Cc1ccccn1)C2 ZINC000015007434 558699311 /nfs/dbraw/zinc/69/93/11/558699311.db2.gz LRNHLEDPQFUTHD-UHFFFAOYSA-N 1 2 403.507 4.762 50 0 HJAALO COc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](Cc1ccccn1)C2 ZINC000015007434 558699314 /nfs/dbraw/zinc/69/93/14/558699314.db2.gz LRNHLEDPQFUTHD-UHFFFAOYSA-N 1 2 403.507 4.762 50 0 HJAALO Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(-c3[nH+]ccn3C)cc2)c1 ZINC000072287415 558718375 /nfs/dbraw/zinc/71/83/75/558718375.db2.gz VFECVBZYRXNEDP-UHFFFAOYSA-N 1 2 402.454 4.523 50 0 HJAALO COc1ccc(OCCn2c3ccccc3n(Cc3ccc(Cl)cc3)c2=[NH2+])cc1 ZINC000019952189 558777880 /nfs/dbraw/zinc/77/78/80/558777880.db2.gz JLRLTMKQIFDILL-UHFFFAOYSA-N 1 2 407.901 4.712 50 0 HJAALO O=C(CC1CCCCC1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106717 558874470 /nfs/dbraw/zinc/87/44/70/558874470.db2.gz ACLFABCGQVDAEZ-UHFFFAOYSA-N 1 2 416.569 4.704 50 0 HJAALO COc1cccc(C[NH+]2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1OC ZINC000019361673 558876380 /nfs/dbraw/zinc/87/63/80/558876380.db2.gz GRCKJLQFHWBPRN-UHFFFAOYSA-N 1 2 418.537 4.814 50 0 HJAALO CCOc1ccc2oc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)c(C)c2c1 ZINC000010656336 558882954 /nfs/dbraw/zinc/88/29/54/558882954.db2.gz XXASONHZUDFTGU-HXUWFJFHSA-N 1 2 407.445 4.532 50 0 HJAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000004677971 558889616 /nfs/dbraw/zinc/88/96/16/558889616.db2.gz KNSZPLMQVDISBW-SFHVURJKSA-N 1 2 411.299 4.700 50 0 HJAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000004677973 558889693 /nfs/dbraw/zinc/88/96/93/558889693.db2.gz KNSZPLMQVDISBW-GOSISDBHSA-N 1 2 411.299 4.700 50 0 HJAALO COc1cc(OC)c(C2=CC[N@@H+]([C@H](C)C(=O)c3c[nH]c4ccccc43)CC2)c(OC)c1 ZINC000057970464 558892236 /nfs/dbraw/zinc/89/22/36/558892236.db2.gz ZISDJACZCDFFGD-MRXNPFEDSA-N 1 2 420.509 4.554 50 0 HJAALO COc1cc(OC)c(C2=CC[N@H+]([C@H](C)C(=O)c3c[nH]c4ccccc43)CC2)c(OC)c1 ZINC000057970464 558892239 /nfs/dbraw/zinc/89/22/39/558892239.db2.gz ZISDJACZCDFFGD-MRXNPFEDSA-N 1 2 420.509 4.554 50 0 HJAALO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058019937 558895858 /nfs/dbraw/zinc/89/58/58/558895858.db2.gz DLKSBLKRMAGDKX-CQSZACIVSA-N 1 2 403.313 4.927 50 0 HJAALO Cc1ccc(Cl)cc1N1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000058172498 558908552 /nfs/dbraw/zinc/90/85/52/558908552.db2.gz MURPONYPFWOCBP-UHFFFAOYSA-N 1 2 403.313 4.674 50 0 HJAALO Cc1ccc2[nH+]c(-c3ccc(N(C)C)cc3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733633 559033588 /nfs/dbraw/zinc/03/35/88/559033588.db2.gz GWTSWOBKYGRSRS-UHFFFAOYSA-N 1 2 400.482 4.891 50 0 HJAALO Cc1nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000033318347 559055893 /nfs/dbraw/zinc/05/58/93/559055893.db2.gz LZNGUZROQDRZFD-UHFFFAOYSA-N 1 2 423.561 4.664 50 0 HJAALO CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCc1c[nH+]c[nH]1)n2C ZINC000033435948 559192532 /nfs/dbraw/zinc/19/25/32/559192532.db2.gz ZJIZZUBDFCKGSJ-UHFFFAOYSA-N 1 2 406.917 4.757 50 0 HJAALO CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCc1c[nH]c[nH+]1)n2C ZINC000033435948 559192533 /nfs/dbraw/zinc/19/25/33/559192533.db2.gz ZJIZZUBDFCKGSJ-UHFFFAOYSA-N 1 2 406.917 4.757 50 0 HJAALO Cc1[nH+]c2ccccc2n1CCC(=O)NCC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000005209017 560538823 /nfs/dbraw/zinc/53/88/23/560538823.db2.gz MIYKECYXFOGRGY-FQEVSTJZSA-N 1 2 405.473 4.805 50 0 HJAALO O=C(COc1ccc(Cl)cc1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062129278 560580332 /nfs/dbraw/zinc/58/03/32/560580332.db2.gz FOZNXZMMTUELKM-UHFFFAOYSA-N 1 2 409.917 4.521 50 0 HJAALO C[C@@H]1c2cc3c(cc2CC[N@H+]1CC(=O)Nc1cc(Cl)cc(Cl)c1)OCCCO3 ZINC000005423542 560585366 /nfs/dbraw/zinc/58/53/66/560585366.db2.gz PUHDMJIPMKOGKK-CYBMUJFWSA-N 1 2 421.324 4.713 50 0 HJAALO C[C@@H]1c2cc3c(cc2CC[N@@H+]1CC(=O)Nc1cc(Cl)cc(Cl)c1)OCCCO3 ZINC000005423542 560585368 /nfs/dbraw/zinc/58/53/68/560585368.db2.gz PUHDMJIPMKOGKK-CYBMUJFWSA-N 1 2 421.324 4.713 50 0 HJAALO Clc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000005516450 560604420 /nfs/dbraw/zinc/60/44/20/560604420.db2.gz BCWVHXCPRQTUQB-FCHUYYIVSA-N 1 2 413.868 4.539 50 0 HJAALO CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000018081424 560774909 /nfs/dbraw/zinc/77/49/09/560774909.db2.gz RJLZWHYLPDYRJI-UHFFFAOYSA-N 1 2 422.447 4.579 50 0 HJAALO COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)[NH+]2CCC(C)CC2)c1 ZINC000022852436 568415613 /nfs/dbraw/zinc/41/56/13/568415613.db2.gz BOIDSQFTZDIFON-GOSISDBHSA-N 1 2 424.526 4.586 50 0 HJAALO COc1c(C)c[nH+]c(COc2cc(C)c3c(C)nn(-c4ccc(C)cc4)c3n2)c1C ZINC000045995508 568423189 /nfs/dbraw/zinc/42/31/89/568423189.db2.gz GQZUWNAILRXUDV-UHFFFAOYSA-N 1 2 402.498 4.945 50 0 HJAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1Br ZINC000000644759 568457208 /nfs/dbraw/zinc/45/72/08/568457208.db2.gz STTCLPGRESUADY-INIZCTEOSA-N 1 2 411.299 4.700 50 0 HJAALO CCc1cc([C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546050 568577881 /nfs/dbraw/zinc/57/78/81/568577881.db2.gz TUJFUSSVYBNYSL-OAQYLSRUSA-N 1 2 410.539 4.886 50 0 HJAALO CCCCCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000020112497 568588973 /nfs/dbraw/zinc/58/89/73/568588973.db2.gz FLWSMFFYVJDFES-FQEVSTJZSA-N 1 2 409.526 4.959 50 0 biogenic HJAALO CCCCCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000020112497 568588974 /nfs/dbraw/zinc/58/89/74/568588974.db2.gz FLWSMFFYVJDFES-FQEVSTJZSA-N 1 2 409.526 4.959 50 0 biogenic HJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)c1 ZINC000020177744 568592877 /nfs/dbraw/zinc/59/28/77/568592877.db2.gz NJLZWIXTVDRYDF-UHFFFAOYSA-N 1 2 422.838 4.731 50 0 HJAALO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000095377665 568603383 /nfs/dbraw/zinc/60/33/83/568603383.db2.gz AFKHLPYORJDUJL-UHFFFAOYSA-N 1 2 414.943 4.949 50 0 HJAALO O=C(c1cc2c(s1)-c1ccccc1SC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020414563 568605776 /nfs/dbraw/zinc/60/57/76/568605776.db2.gz VALBZHCAKFNWLY-UHFFFAOYSA-N 1 2 406.576 4.979 50 0 HJAALO O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020931506 568651865 /nfs/dbraw/zinc/65/18/65/568651865.db2.gz VALANQUSECHZMN-UHFFFAOYSA-N 1 2 410.608 4.559 50 0 HJAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1cccc(C)c1 ZINC000096316833 568726120 /nfs/dbraw/zinc/72/61/20/568726120.db2.gz XACSOHIVEASZQF-UHFFFAOYSA-N 1 2 420.601 4.510 50 0 HJAALO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724495 568751250 /nfs/dbraw/zinc/75/12/50/568751250.db2.gz FQOQRZOCVIUOBI-UHFFFAOYSA-N 1 2 422.504 4.597 50 0 HJAALO C[N@H+](CCc1ccccn1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S ZINC000005934754 568830498 /nfs/dbraw/zinc/83/04/98/568830498.db2.gz DRFXHUCXLWSNRD-UHFFFAOYSA-N 1 2 407.568 4.659 50 0 HJAALO C[N@@H+](CCc1ccccn1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S ZINC000005934754 568830499 /nfs/dbraw/zinc/83/04/99/568830499.db2.gz DRFXHUCXLWSNRD-UHFFFAOYSA-N 1 2 407.568 4.659 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000057481563 568841360 /nfs/dbraw/zinc/84/13/60/568841360.db2.gz WESZFEPIDFFJTJ-VWNXMTODSA-N 1 2 403.526 4.859 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1cccn1C ZINC000057481563 568841361 /nfs/dbraw/zinc/84/13/61/568841361.db2.gz WESZFEPIDFFJTJ-VWNXMTODSA-N 1 2 403.526 4.859 50 0 HJAALO COCc1c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)sc2cccc(F)c21 ZINC000012556832 568856048 /nfs/dbraw/zinc/85/60/48/568856048.db2.gz WNQGSHOHNPTEIT-CQSZACIVSA-N 1 2 409.486 4.864 50 0 HJAALO COc1ccc(C[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C2CC2)cc1 ZINC000057672109 568857956 /nfs/dbraw/zinc/85/79/56/568857956.db2.gz SIBSZHACRJINSE-UHFFFAOYSA-N 1 2 417.534 4.825 50 0 HJAALO C[C@@H](c1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000003376561 568891354 /nfs/dbraw/zinc/89/13/54/568891354.db2.gz KDVJWHSZIAAVNW-ZDUSSCGKSA-N 1 2 418.925 4.657 50 0 HJAALO CCOC(=O)c1c(NC(=O)C[NH+]2CCCCC2)sc(Cl)c1-c1ccccc1 ZINC000001465986 568990939 /nfs/dbraw/zinc/99/09/39/568990939.db2.gz IEGFWGBRHPDATH-UHFFFAOYSA-N 1 2 406.935 4.670 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015870576 569017382 /nfs/dbraw/zinc/01/73/82/569017382.db2.gz JDWVXLGNMZVRAD-UHFFFAOYSA-N 1 2 423.513 4.781 50 0 HJAALO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000012943777 569028873 /nfs/dbraw/zinc/02/88/73/569028873.db2.gz RXNIQYUDULLJDN-SFHVURJKSA-N 1 2 408.329 4.953 50 0 HJAALO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000012943777 569028874 /nfs/dbraw/zinc/02/88/74/569028874.db2.gz RXNIQYUDULLJDN-SFHVURJKSA-N 1 2 408.329 4.953 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4cccc(C)c4C)CC3)cn2)cc1 ZINC000035403927 569035646 /nfs/dbraw/zinc/03/56/46/569035646.db2.gz YKKKIFROTMFYER-UHFFFAOYSA-N 1 2 400.526 4.525 50 0 HJAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4cccc(C)c4C)CC3)cn2)cc1 ZINC000035403927 569035647 /nfs/dbraw/zinc/03/56/47/569035647.db2.gz YKKKIFROTMFYER-UHFFFAOYSA-N 1 2 400.526 4.525 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600954 569046257 /nfs/dbraw/zinc/04/62/57/569046257.db2.gz XVCZYIFVWVQIPK-PXNSSMCTSA-N 1 2 406.448 4.958 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600954 569046258 /nfs/dbraw/zinc/04/62/58/569046258.db2.gz XVCZYIFVWVQIPK-PXNSSMCTSA-N 1 2 406.448 4.958 50 0 HJAALO CCN(C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)C1CCCCC1 ZINC000426563160 569073526 /nfs/dbraw/zinc/07/35/26/569073526.db2.gz DWLYYNSPGPZVFB-UHFFFAOYSA-N 1 2 401.576 4.706 50 0 HJAALO CCN(C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)C1CCCCC1 ZINC000426563160 569073527 /nfs/dbraw/zinc/07/35/27/569073527.db2.gz DWLYYNSPGPZVFB-UHFFFAOYSA-N 1 2 401.576 4.706 50 0 HJAALO CC(C)C(=O)N(Cc1ccco1)Cc1[nH+]ccn1Cc1ccc(C(F)(F)F)cc1 ZINC000006690323 569089510 /nfs/dbraw/zinc/08/95/10/569089510.db2.gz NFNFOGTULHPGDU-UHFFFAOYSA-N 1 2 405.420 4.728 50 0 HJAALO CCN(Cc1[nH+]ccn1Cc1ccccc1C(F)(F)F)C(=O)c1ccc(C)cc1 ZINC000006690307 569089540 /nfs/dbraw/zinc/08/95/40/569089540.db2.gz FDESKXFCLAMRBD-UHFFFAOYSA-N 1 2 401.432 4.921 50 0 HJAALO CCc1cc(N(CC)CC)nc(SCc2cccc(C(=O)NCc3ccco3)c2)[nH+]1 ZINC000006695734 569091580 /nfs/dbraw/zinc/09/15/80/569091580.db2.gz VJYYYNXIBRNUHZ-UHFFFAOYSA-N 1 2 424.570 4.701 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)NCCc1c[nH]c2ccccc12 ZINC000036442631 569185132 /nfs/dbraw/zinc/18/51/32/569185132.db2.gz GYVSISZYUAHFOY-HSZRJFAPSA-N 1 2 421.591 4.597 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)NCCc1c[nH]c2ccccc12 ZINC000036442631 569185133 /nfs/dbraw/zinc/18/51/33/569185133.db2.gz GYVSISZYUAHFOY-HSZRJFAPSA-N 1 2 421.591 4.597 50 0 HJAALO O=C(c1cccs1)N(CCCn1cc[nH+]c1)c1nc2c(cc(F)cc2F)s1 ZINC000007424721 569238150 /nfs/dbraw/zinc/23/81/50/569238150.db2.gz LQNCDFMEGAFFAC-UHFFFAOYSA-N 1 2 404.467 4.570 50 0 HJAALO CCCCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000013322765 569254873 /nfs/dbraw/zinc/25/48/73/569254873.db2.gz YFMIKZQYKGIKQI-UHFFFAOYSA-N 1 2 401.938 4.869 50 0 HJAALO Fc1ccc([C@@H](CNc2cc(C(F)(F)F)nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000089866635 569267465 /nfs/dbraw/zinc/26/74/65/569267465.db2.gz JXKAXIYAJQERSL-HXUWFJFHSA-N 1 2 419.422 4.878 50 0 HJAALO C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000170655320 569295454 /nfs/dbraw/zinc/29/54/54/569295454.db2.gz JWQIIAWXYGNEJH-AWEZNQCLSA-N 1 2 407.861 4.823 50 0 HJAALO C[N@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1ccsc1 ZINC000007926935 569327504 /nfs/dbraw/zinc/32/75/04/569327504.db2.gz FGERRKWNYVHKHS-LJQANCHMSA-N 1 2 413.930 4.804 50 0 HJAALO C[N@@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1ccsc1 ZINC000007926935 569327505 /nfs/dbraw/zinc/32/75/05/569327505.db2.gz FGERRKWNYVHKHS-LJQANCHMSA-N 1 2 413.930 4.804 50 0 HJAALO COc1ccc(CC2=[NH+]CCc3cc(OC)c(OCc4ccccc4)cc32)cc1O ZINC000019908473 569357524 /nfs/dbraw/zinc/35/75/24/569357524.db2.gz TZMWHRXDQSKHEL-UHFFFAOYSA-N 1 2 403.478 4.576 50 0 HJAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 ZINC000013061235 569408336 /nfs/dbraw/zinc/40/83/36/569408336.db2.gz LNGPBFIWJXJXNO-QGZVFWFLSA-N 1 2 407.297 4.540 50 0 HJAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 ZINC000013061235 569408338 /nfs/dbraw/zinc/40/83/38/569408338.db2.gz LNGPBFIWJXJXNO-QGZVFWFLSA-N 1 2 407.297 4.540 50 0 HJAALO C[C@@H](Nc1c(C(=O)N2CCOCC2)c[nH+]c2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000067288408 571066035 /nfs/dbraw/zinc/06/60/35/571066035.db2.gz ZKAAMKJEDIBRCC-CQSZACIVSA-N 1 2 413.880 4.673 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000040131755 571184254 /nfs/dbraw/zinc/18/42/54/571184254.db2.gz RLPLPIILSFQCKX-IBGZPJMESA-N 1 2 422.287 4.541 50 0 HJAALO CC(C)(C)c1nnc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1 ZINC000069952134 571251378 /nfs/dbraw/zinc/25/13/78/571251378.db2.gz YUOADNHURWYLJJ-NRFANRHFSA-N 1 2 424.589 4.664 50 0 HJAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)COc3ccccc3)cc2)[nH+]1 ZINC000009573354 571269193 /nfs/dbraw/zinc/26/91/93/571269193.db2.gz ZBXKITQNGWYLIE-UHFFFAOYSA-N 1 2 417.513 4.536 50 0 HJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 ZINC000009573418 571269210 /nfs/dbraw/zinc/26/92/10/571269210.db2.gz YTRQMFJGWYJLNI-SFHVURJKSA-N 1 2 419.529 4.781 50 0 HJAALO O=C(Nc1ccccc1C(=O)NCCCn1cc[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000010313187 571300165 /nfs/dbraw/zinc/30/01/65/571300165.db2.gz YQFKZZZBBYYNAH-UHFFFAOYSA-N 1 2 424.504 4.623 50 0 HJAALO Cc1[nH+]c(-c2ccccc2)nc(N2CCN(C(=O)c3cccs3)CC2)c1C(C)C ZINC000035769135 571317102 /nfs/dbraw/zinc/31/71/02/571317102.db2.gz LABRJYGHNKIAGC-UHFFFAOYSA-N 1 2 406.555 4.599 50 0 HJAALO Cc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000000756448 132232530 /nfs/dbraw/zinc/23/25/30/132232530.db2.gz UJKVHKLQMPMOIS-UHFFFAOYSA-N 1 2 409.331 4.541 50 0 HJAALO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000006837506 132318444 /nfs/dbraw/zinc/31/84/44/132318444.db2.gz VJRZSKBNJGBLGI-UHFFFAOYSA-N 1 2 420.601 4.612 50 0 HJAALO CC[C@H](C)NC(=O)CCC(=O)Nc1ccc2[nH+]c(N3C[C@H](C)C[C@H](C)C3)cc(C)c2c1 ZINC000009598380 132341433 /nfs/dbraw/zinc/34/14/33/132341433.db2.gz YSXMEJABVQDFFB-SCTDSRPQSA-N 1 2 424.589 4.659 50 0 HJAALO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1N1CCCCC1 ZINC000012635502 132365516 /nfs/dbraw/zinc/36/55/16/132365516.db2.gz SWBUYOFLLPLGHJ-UHFFFAOYSA-N 1 2 405.464 4.766 50 0 HJAALO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1N1CCCCC1 ZINC000012635502 132365517 /nfs/dbraw/zinc/36/55/17/132365517.db2.gz SWBUYOFLLPLGHJ-UHFFFAOYSA-N 1 2 405.464 4.766 50 0 HJAALO O=C(c1sc2cccc(Cl)c2c1Cl)N1CC[NH+](CCc2ccccn2)CC1 ZINC000020573543 526932882 /nfs/dbraw/zinc/93/28/82/526932882.db2.gz GQODCJDXORJNQM-UHFFFAOYSA-N 1 2 420.365 4.604 50 0 HJAALO COc1cc(C(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)cc(OC)c1OC ZINC000000800807 557084917 /nfs/dbraw/zinc/08/49/17/557084917.db2.gz FIRLMVXVEXHHQH-UHFFFAOYSA-N 1 2 417.465 4.588 50 0 HJAALO CC(C)Cc1noc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 ZINC000071889327 557294202 /nfs/dbraw/zinc/29/42/02/557294202.db2.gz MZNAVHJIRHPQNZ-JOCHJYFZSA-N 1 2 424.589 4.565 50 0 HJAALO Fc1ccccc1[C@@H]1C2=C([NH+]=C3N=CNN31)c1ccccc1O[C@@H]2c1cccs1 ZINC000002542250 557355529 /nfs/dbraw/zinc/35/55/29/557355529.db2.gz RFEFCBMGQFGPPN-NHCUHLMSSA-N 1 2 402.454 4.691 50 0 HJAALO CCN(CC)c1cc(C(C)C)[nH+]c(SCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000006874901 557727848 /nfs/dbraw/zinc/72/78/48/557727848.db2.gz JXEYXZLQRSCWFZ-UHFFFAOYSA-N 1 2 412.603 4.975 50 0 HJAALO FC(F)(F)c1ccccc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019781984 558281447 /nfs/dbraw/zinc/28/14/47/558281447.db2.gz UDZDDYCLLGUOIJ-UHFFFAOYSA-N 1 2 413.281 4.786 50 0 HJAALO O=C(CC[NH+]1CCOCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000019893174 558303516 /nfs/dbraw/zinc/30/35/16/558303516.db2.gz WITMGOUNEZZGDS-UHFFFAOYSA-N 1 2 408.445 4.557 50 0 HJAALO FC(F)(F)c1cccc(OC2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000012225998 558356986 /nfs/dbraw/zinc/35/69/86/558356986.db2.gz QYIKFIZGXPEEIZ-UHFFFAOYSA-N 1 2 403.404 4.799 50 0 HJAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+][C@H](C)c1ccco1 ZINC000020363195 558358266 /nfs/dbraw/zinc/35/82/66/558358266.db2.gz DQTIAQGUPGNURV-OAHLLOKOSA-N 1 2 422.510 4.616 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cc(C)ccc2C)c(C)c1 ZINC000004341741 558425384 /nfs/dbraw/zinc/42/53/84/558425384.db2.gz ABBHXSMLLRJUIP-UHFFFAOYSA-N 1 2 417.538 4.780 50 0 HJAALO CCOc1c(Cl)cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1OC ZINC000012819987 558476708 /nfs/dbraw/zinc/47/67/08/558476708.db2.gz ITSVIIJKKDHZLY-ZDUSSCGKSA-N 1 2 423.966 4.688 50 0 HJAALO CCOc1c(Cl)cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1OC ZINC000012819987 558476710 /nfs/dbraw/zinc/47/67/10/558476710.db2.gz ITSVIIJKKDHZLY-ZDUSSCGKSA-N 1 2 423.966 4.688 50 0 HJAALO CC[N@H+](Cc1ccc(Br)s1)Cc1nc(-c2cccc(OC)c2)no1 ZINC000012856579 558480541 /nfs/dbraw/zinc/48/05/41/558480541.db2.gz NVLYYUULSPZKQG-UHFFFAOYSA-N 1 2 408.321 4.591 50 0 HJAALO CC[N@@H+](Cc1ccc(Br)s1)Cc1nc(-c2cccc(OC)c2)no1 ZINC000012856579 558480542 /nfs/dbraw/zinc/48/05/42/558480542.db2.gz NVLYYUULSPZKQG-UHFFFAOYSA-N 1 2 408.321 4.591 50 0 HJAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)CC1 ZINC000012980703 558493421 /nfs/dbraw/zinc/49/34/21/558493421.db2.gz OHDGMRCHMAGDRU-UHFFFAOYSA-N 1 2 412.328 4.529 50 0 HJAALO O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023956256 558582423 /nfs/dbraw/zinc/58/24/23/558582423.db2.gz RBLVIIYEGHMVNW-UHFFFAOYSA-N 1 2 403.507 4.514 50 0 HJAALO C[C@@H]1CC2(CCCC2)N2C(=O)[C@@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cc(F)cc1c32 ZINC000014162429 558626344 /nfs/dbraw/zinc/62/63/44/558626344.db2.gz NIYJZVRPYNEMJD-PVPMGCCUSA-N 1 2 415.512 4.863 50 0 biogenic HJAALO O=C(C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc2ccccc21 ZINC000014195500 558633226 /nfs/dbraw/zinc/63/32/26/558633226.db2.gz JKUYMEMRRLQOFF-UHFFFAOYSA-N 1 2 414.336 4.907 50 0 HJAALO C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329156 558638098 /nfs/dbraw/zinc/63/80/98/558638098.db2.gz WJMIMXYRGJRXJX-LIRRHRJNSA-N 1 2 408.329 4.577 50 0 HJAALO Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)oc2c1 ZINC000028291667 558697554 /nfs/dbraw/zinc/69/75/54/558697554.db2.gz WZYFYZJJHONXHQ-FQEVSTJZSA-N 1 2 424.928 4.712 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1OC(F)F ZINC000029195212 558711700 /nfs/dbraw/zinc/71/17/00/558711700.db2.gz ILHJARLGBUJUDM-IBGZPJMESA-N 1 2 420.506 4.997 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1OC(F)F ZINC000029195212 558711703 /nfs/dbraw/zinc/71/17/03/558711703.db2.gz ILHJARLGBUJUDM-IBGZPJMESA-N 1 2 420.506 4.997 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccccc1OC(F)F ZINC000029195209 558711720 /nfs/dbraw/zinc/71/17/20/558711720.db2.gz ILHJARLGBUJUDM-LJQANCHMSA-N 1 2 420.506 4.997 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccccc1OC(F)F ZINC000029195209 558711723 /nfs/dbraw/zinc/71/17/23/558711723.db2.gz ILHJARLGBUJUDM-LJQANCHMSA-N 1 2 420.506 4.997 50 0 HJAALO Cc1noc(C)c1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029255542 558712470 /nfs/dbraw/zinc/71/24/70/558712470.db2.gz KKBCBMYPWJGVPP-UHFFFAOYSA-N 1 2 415.946 4.631 50 0 HJAALO COc1cccc([C@H](NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)c2[nH+]ccn2C)c1 ZINC000029729885 558719507 /nfs/dbraw/zinc/71/95/07/558719507.db2.gz IDQZIFQJSMUCNN-VGSWGCGISA-N 1 2 406.530 4.702 50 0 HJAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000030630657 558734642 /nfs/dbraw/zinc/73/46/42/558734642.db2.gz JLSUJAHXVJMUQQ-NRFANRHFSA-N 1 2 417.534 4.808 50 0 HJAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000030630657 558734646 /nfs/dbraw/zinc/73/46/46/558734646.db2.gz JLSUJAHXVJMUQQ-NRFANRHFSA-N 1 2 417.534 4.808 50 0 HJAALO Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000022077873 558779006 /nfs/dbraw/zinc/77/90/06/558779006.db2.gz XJQRDLCKDSCUMI-JOCHJYFZSA-N 1 2 403.917 4.846 50 0 HJAALO Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000022077873 558779009 /nfs/dbraw/zinc/77/90/09/558779009.db2.gz XJQRDLCKDSCUMI-JOCHJYFZSA-N 1 2 403.917 4.846 50 0 HJAALO Cc1ccc(C(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000017087339 558816218 /nfs/dbraw/zinc/81/62/18/558816218.db2.gz IHOKYPNHLGXQFJ-UHFFFAOYSA-N 1 2 406.476 4.821 50 0 HJAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1ccc2c(c1)OCO2)N1CCCCC1 ZINC000072328465 558863859 /nfs/dbraw/zinc/86/38/59/558863859.db2.gz YXLGOPDYXBWJGA-UHFFFAOYSA-N 1 2 423.900 4.855 50 0 HJAALO c1cc([C@@H]2CCCO2)sc1C[N@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055099438 558872423 /nfs/dbraw/zinc/87/24/23/558872423.db2.gz IFSWHDWUWPBRHW-NRFANRHFSA-N 1 2 408.523 4.926 50 0 HJAALO c1cc([C@@H]2CCCO2)sc1C[N@@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055099438 558872424 /nfs/dbraw/zinc/87/24/24/558872424.db2.gz IFSWHDWUWPBRHW-NRFANRHFSA-N 1 2 408.523 4.926 50 0 HJAALO CSc1nnc(C[N@H+](C)Cc2cccc(-c3ccccc3C)c2)n1C[C@@H]1CCCO1 ZINC000055226827 558876655 /nfs/dbraw/zinc/87/66/55/558876655.db2.gz IBSNBQIFSCGNTG-NRFANRHFSA-N 1 2 422.598 4.786 50 0 HJAALO CSc1nnc(C[N@@H+](C)Cc2cccc(-c3ccccc3C)c2)n1C[C@@H]1CCCO1 ZINC000055226827 558876658 /nfs/dbraw/zinc/87/66/58/558876658.db2.gz IBSNBQIFSCGNTG-NRFANRHFSA-N 1 2 422.598 4.786 50 0 HJAALO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000055384625 558880688 /nfs/dbraw/zinc/88/06/88/558880688.db2.gz PCAWZHDHJDVCNQ-UHFFFAOYSA-N 1 2 419.569 4.742 50 0 HJAALO CCOc1ccc2oc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)c(C)c2c1 ZINC000010656335 558882878 /nfs/dbraw/zinc/88/28/78/558882878.db2.gz XXASONHZUDFTGU-FQEVSTJZSA-N 1 2 407.445 4.532 50 0 HJAALO COc1cccc(CNC(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c1 ZINC000033126381 558883991 /nfs/dbraw/zinc/88/39/91/558883991.db2.gz UUTUQRIENRJKDL-UHFFFAOYSA-N 1 2 400.482 4.678 50 0 HJAALO CC(=O)c1ccc(N2CC[NH+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2)cc1 ZINC000058158790 558903996 /nfs/dbraw/zinc/90/39/96/558903996.db2.gz MJLVELMVYYVTLN-UHFFFAOYSA-N 1 2 418.537 4.750 50 0 HJAALO COc1ccc(C(=O)N(Cc2[nH+]ccn2Cc2ccccc2Cl)CC(C)C)cc1 ZINC000096206660 559101347 /nfs/dbraw/zinc/10/13/47/559101347.db2.gz OVQRPCSFENVCQI-UHFFFAOYSA-N 1 2 411.933 4.892 50 0 HJAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)N3CCCC3)co2)[C@@H](C)c2ccccc2)cc1 ZINC000096280014 559108584 /nfs/dbraw/zinc/10/85/84/559108584.db2.gz QEYZSWSJVZXAPF-FQEVSTJZSA-N 1 2 403.526 4.982 50 0 HJAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)N3CCCC3)co2)[C@@H](C)c2ccccc2)cc1 ZINC000096280014 559108586 /nfs/dbraw/zinc/10/85/86/559108586.db2.gz QEYZSWSJVZXAPF-FQEVSTJZSA-N 1 2 403.526 4.982 50 0 HJAALO C[C@@]1(O)C[C@H](c2[nH+]c(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1 ZINC000100071817 559129525 /nfs/dbraw/zinc/12/95/25/559129525.db2.gz PKCDDUHJAFVJJB-VLZXCDOPSA-N 1 2 421.504 4.822 50 0 investigational HJAALO Clc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=[NH+]1)[C@H](c1ccccc1)O2 ZINC000005516449 560604384 /nfs/dbraw/zinc/60/43/84/560604384.db2.gz BCWVHXCPRQTUQB-YADHBBJMSA-N 1 2 413.868 4.539 50 0 HJAALO COc1cccc([C@@H](Nc2nc(-c3cccnc3)nc3ccccc32)c2[nH+]ccn2C)c1 ZINC000017591161 560720026 /nfs/dbraw/zinc/72/00/26/560720026.db2.gz JNVDWRNYBABBKB-JOCHJYFZSA-N 1 2 422.492 4.635 50 0 HJAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccccc4Cl)CC3)n2)c1 ZINC000049403229 568448189 /nfs/dbraw/zinc/44/81/89/568448189.db2.gz HQFCOQDITGOHAE-UHFFFAOYSA-N 1 2 410.905 4.517 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000008118059 568492173 /nfs/dbraw/zinc/49/21/73/568492173.db2.gz KVEDPIZIKKEBTH-SFHVURJKSA-N 1 2 408.716 4.829 50 0 HJAALO O=S(=O)(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccc(Cl)cc1 ZINC000033116561 568511119 /nfs/dbraw/zinc/51/11/19/568511119.db2.gz OCKXQDVIYTYEOV-UHFFFAOYSA-N 1 2 411.914 4.802 50 0 HJAALO CCCCCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000020112499 568588634 /nfs/dbraw/zinc/58/86/34/568588634.db2.gz FLWSMFFYVJDFES-HXUWFJFHSA-N 1 2 409.526 4.959 50 0 biogenic HJAALO CCCCCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000020112499 568588637 /nfs/dbraw/zinc/58/86/37/568588637.db2.gz FLWSMFFYVJDFES-HXUWFJFHSA-N 1 2 409.526 4.959 50 0 biogenic HJAALO COc1cccc(CNC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c1 ZINC000021357724 568688732 /nfs/dbraw/zinc/68/87/32/568688732.db2.gz MJDUDXLODUWIKX-UHFFFAOYSA-N 1 2 414.509 4.689 50 0 HJAALO CC(C)n1c(CCCCCNC(=O)c2c[nH]c(=O)c3ccccc23)[nH+]c2ccccc21 ZINC000096231202 568707070 /nfs/dbraw/zinc/70/70/70/568707070.db2.gz SQRCHUULOGSTHM-UHFFFAOYSA-N 1 2 416.525 4.602 50 0 HJAALO CCOC(=O)c1cccc(Nc2c(C(=O)OCC)c[nH+]c3ccc(OCC)cc32)c1 ZINC000000953684 568758563 /nfs/dbraw/zinc/75/85/63/568758563.db2.gz KGDOEEYGKWZGGG-UHFFFAOYSA-N 1 2 408.454 4.731 50 0 HJAALO Cc1ccccc1N1CC[NH+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000057322763 568827096 /nfs/dbraw/zinc/82/70/96/568827096.db2.gz QUXVGXUGMCYSRS-MRXNPFEDSA-N 1 2 416.447 4.947 50 0 HJAALO Cc1ccc2[nH+]c(CSc3nnc(-c4ccncc4)n3Cc3ccccc3)cn2c1 ZINC000005982319 568834097 /nfs/dbraw/zinc/83/40/97/568834097.db2.gz OQDPKOSUQBWDQS-UHFFFAOYSA-N 1 2 412.522 4.637 50 0 HJAALO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)no1 ZINC000031661227 568837508 /nfs/dbraw/zinc/83/75/08/568837508.db2.gz YBSPETWSQGAWRX-UHFFFAOYSA-N 1 2 416.934 4.715 50 0 HJAALO O=C(/C=C/c1ccc(-c2ccccc2)s1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000029844210 568837821 /nfs/dbraw/zinc/83/78/21/568837821.db2.gz WKWHHJNVYVTOGH-BQYDLMEBSA-N 1 2 424.591 4.680 50 0 HJAALO COc1ccc([C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)cc1 ZINC000012507241 568839674 /nfs/dbraw/zinc/83/96/74/568839674.db2.gz GTDISZYBFOSDHH-KRWDZBQOSA-N 1 2 405.285 4.647 50 0 HJAALO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012541214 568848287 /nfs/dbraw/zinc/84/82/87/568848287.db2.gz VFBGBPQESIHMFG-KZULUSFZSA-N 1 2 422.287 4.539 50 0 HJAALO CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000012541280 568848554 /nfs/dbraw/zinc/84/85/54/568848554.db2.gz MMMKDVASMHBYQQ-UHFFFAOYSA-N 1 2 405.498 4.763 50 0 HJAALO C[NH+](C)[C@@H](Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)C(=O)c1ccccc1 ZINC000003282634 568872000 /nfs/dbraw/zinc/87/20/00/568872000.db2.gz DVTRUXYSKRGOTE-WIOPSUGQSA-N 1 2 405.469 4.789 50 0 HJAALO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000058168760 568895595 /nfs/dbraw/zinc/89/55/95/568895595.db2.gz RCSNSLPOLCTXJM-UHFFFAOYSA-N 1 2 412.280 4.676 50 0 HJAALO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000012692033 568915572 /nfs/dbraw/zinc/91/55/72/568915572.db2.gz LPMKVJILDYTVAH-BBWFWOEESA-N 1 2 409.555 4.708 50 0 HJAALO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000012692033 568915573 /nfs/dbraw/zinc/91/55/73/568915573.db2.gz LPMKVJILDYTVAH-BBWFWOEESA-N 1 2 409.555 4.708 50 0 HJAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012754531 568942469 /nfs/dbraw/zinc/94/24/69/568942469.db2.gz ADICKRWDNPUXCX-LLVKDONJSA-N 1 2 412.328 4.529 50 0 HJAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012754531 568942470 /nfs/dbraw/zinc/94/24/70/568942470.db2.gz ADICKRWDNPUXCX-LLVKDONJSA-N 1 2 412.328 4.529 50 0 HJAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012754536 568942532 /nfs/dbraw/zinc/94/25/32/568942532.db2.gz ADICKRWDNPUXCX-NSHDSACASA-N 1 2 412.328 4.529 50 0 HJAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012754536 568942534 /nfs/dbraw/zinc/94/25/34/568942534.db2.gz ADICKRWDNPUXCX-NSHDSACASA-N 1 2 412.328 4.529 50 0 HJAALO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000012767783 568949459 /nfs/dbraw/zinc/94/94/59/568949459.db2.gz ZEUNJMRFMSBUKR-UHFFFAOYSA-N 1 2 412.533 4.815 50 0 HJAALO COc1ccc(C)cc1NC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007989864 568966673 /nfs/dbraw/zinc/96/66/73/568966673.db2.gz CHANLBMTYBYZMB-UHFFFAOYSA-N 1 2 400.482 4.604 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 ZINC000008215988 568982867 /nfs/dbraw/zinc/98/28/67/568982867.db2.gz BAQGGLURQGPFEV-QFIPXVFZSA-N 1 2 401.441 4.871 50 0 HJAALO CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1[nH+]ccn1CC ZINC000011936379 568987268 /nfs/dbraw/zinc/98/72/68/568987268.db2.gz XUPCDMYWYYLBBC-VWLOTQADSA-N 1 2 400.526 4.931 50 0 HJAALO Cc1c(-c2ccccc2)sc2ncnc(Sc3nnc(C[NH+]4CCCC4)o3)c12 ZINC000008312348 568988905 /nfs/dbraw/zinc/98/89/05/568988905.db2.gz SOVWZTBMAOIHEP-UHFFFAOYSA-N 1 2 409.540 4.797 50 0 HJAALO CSCC[C@H]([NH2+]Cc1c(C)nn(CC(C)C)c1Cl)c1nc2ccccc2[nH]1 ZINC000008345219 568994480 /nfs/dbraw/zinc/99/44/80/568994480.db2.gz PUWWOQUFXCUDEJ-SFHVURJKSA-N 1 2 405.999 4.961 50 0 HJAALO CC[N@H+](CCCNC(=O)c1nn(C)c2c1CSc1ccc(C)cc1-2)c1ccccc1 ZINC000015782798 569003247 /nfs/dbraw/zinc/00/32/47/569003247.db2.gz MYGWEECSXZMVGY-UHFFFAOYSA-N 1 2 420.582 4.648 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1nn(C)c2c1CSc1ccc(C)cc1-2)c1ccccc1 ZINC000015782798 569003248 /nfs/dbraw/zinc/00/32/48/569003248.db2.gz MYGWEECSXZMVGY-UHFFFAOYSA-N 1 2 420.582 4.648 50 0 HJAALO COc1ccc(C(=O)Nc2cccc(CCc3[nH]c4ccc(C)cc4[nH+]3)c2)c(OC)c1 ZINC000015863575 569016160 /nfs/dbraw/zinc/01/61/60/569016160.db2.gz OXKNYUPLUBMFOX-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO COc1ccc(C(=O)Nc2cccc(CCc3[nH]c4cc(C)ccc4[nH+]3)c2)c(OC)c1 ZINC000015863575 569016161 /nfs/dbraw/zinc/01/61/61/569016161.db2.gz OXKNYUPLUBMFOX-UHFFFAOYSA-N 1 2 415.493 4.926 50 0 HJAALO CCc1ccc([C@@H]([NH2+][C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012909371 569021739 /nfs/dbraw/zinc/02/17/39/569021739.db2.gz WKFQPRPZMMNQED-DNQXCXABSA-N 1 2 420.578 4.590 50 0 HJAALO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591227 569060200 /nfs/dbraw/zinc/06/02/00/569060200.db2.gz UTSWMUVKQRJNRT-SJLPKXTDSA-N 1 2 406.448 4.867 50 0 HJAALO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591227 569060201 /nfs/dbraw/zinc/06/02/01/569060201.db2.gz UTSWMUVKQRJNRT-SJLPKXTDSA-N 1 2 406.448 4.867 50 0 HJAALO CC[C@H]1CCCN(C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426428975 569072993 /nfs/dbraw/zinc/07/29/93/569072993.db2.gz OEPPTNQWOKVXAG-KRWDZBQOSA-N 1 2 401.576 4.564 50 0 HJAALO CC[C@H]1CCCN(C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426428975 569072994 /nfs/dbraw/zinc/07/29/94/569072994.db2.gz OEPPTNQWOKVXAG-KRWDZBQOSA-N 1 2 401.576 4.564 50 0 HJAALO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000006638221 569077193 /nfs/dbraw/zinc/07/71/93/569077193.db2.gz CZIOUGBWFBOVFG-LJQANCHMSA-N 1 2 403.526 4.826 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000006638221 569077194 /nfs/dbraw/zinc/07/71/94/569077194.db2.gz CZIOUGBWFBOVFG-LJQANCHMSA-N 1 2 403.526 4.826 50 0 HJAALO COc1cc(C[N@H+](C)Cc2nc3ccsc3c(=O)[nH]2)ccc1OCc1ccccc1 ZINC000036389654 569165407 /nfs/dbraw/zinc/16/54/07/569165407.db2.gz GPHPPGMYNNMXKF-UHFFFAOYSA-N 1 2 421.522 4.617 50 0 HJAALO COc1cc(C[N@@H+](C)Cc2nc3ccsc3c(=O)[nH]2)ccc1OCc1ccccc1 ZINC000036389654 569165408 /nfs/dbraw/zinc/16/54/08/569165408.db2.gz GPHPPGMYNNMXKF-UHFFFAOYSA-N 1 2 421.522 4.617 50 0 HJAALO Cc1ccc(NC(=O)Cc2nc(C[N@H+](Cc3ccc(F)cc3)C3CC3)cs2)cc1 ZINC000009908862 569251709 /nfs/dbraw/zinc/25/17/09/569251709.db2.gz LCVXDSFLWAKWIN-UHFFFAOYSA-N 1 2 409.530 4.936 50 0 HJAALO Cc1ccc(NC(=O)Cc2nc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)cs2)cc1 ZINC000009908862 569251710 /nfs/dbraw/zinc/25/17/10/569251710.db2.gz LCVXDSFLWAKWIN-UHFFFAOYSA-N 1 2 409.530 4.936 50 0 HJAALO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1c(Cl)nc2ccccc2c1Cl ZINC000089866539 569267454 /nfs/dbraw/zinc/26/74/54/569267454.db2.gz DKYAOOXYQKTTEV-UHFFFAOYSA-N 1 2 416.308 4.626 50 0 HJAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007647452 569298486 /nfs/dbraw/zinc/29/84/86/569298486.db2.gz BQHUANUPXPZHSK-DEOSSOPVSA-N 1 2 406.526 4.882 50 0 HJAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007647452 569298488 /nfs/dbraw/zinc/29/84/88/569298488.db2.gz BQHUANUPXPZHSK-DEOSSOPVSA-N 1 2 406.526 4.882 50 0 HJAALO C[NH+]1CCN(n2c(-c3ccc(Cl)cc3Cl)csc2=Nc2ccccc2)CC1 ZINC000252671006 569319371 /nfs/dbraw/zinc/31/93/71/569319371.db2.gz MJGDRVQMAZLKRQ-UHFFFAOYSA-N 1 2 419.381 4.639 50 0 HJAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1cccc(Br)c1 ZINC000007922141 569327227 /nfs/dbraw/zinc/32/72/27/569327227.db2.gz DUZJNFUWUFTQLF-GFCCVEGCSA-N 1 2 404.333 4.690 50 0 HJAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1cccc(Br)c1 ZINC000007922141 569327228 /nfs/dbraw/zinc/32/72/28/569327228.db2.gz DUZJNFUWUFTQLF-GFCCVEGCSA-N 1 2 404.333 4.690 50 0 HJAALO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C)Cc2ccsc2)cc1 ZINC000007926932 569327456 /nfs/dbraw/zinc/32/74/56/569327456.db2.gz MMWNYHHUFWJEJH-QHCPKHFHSA-N 1 2 419.550 4.566 50 0 HJAALO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)Cc2ccsc2)cc1 ZINC000007926932 569327458 /nfs/dbraw/zinc/32/74/58/569327458.db2.gz MMWNYHHUFWJEJH-QHCPKHFHSA-N 1 2 419.550 4.566 50 0 HJAALO COc1ccc(-c2nnc(SCc3cccc(N)[nH+]3)n2-c2ccc(Cl)cc2)cc1 ZINC000253432715 569369998 /nfs/dbraw/zinc/36/99/98/569369998.db2.gz MZNYABSJSGUAHM-UHFFFAOYSA-N 1 2 423.929 4.866 50 0 HJAALO C[C@@H]1CN(c2ccc(CNc3nc4cc(C(F)(F)F)ccc4s3)c[nH+]2)C[C@H](C)O1 ZINC000078904409 569421717 /nfs/dbraw/zinc/42/17/17/569421717.db2.gz ADTQSGNYHWPWKI-BETUJISGSA-N 1 2 422.476 4.936 50 0 HJAALO Cc1cccn2cc(CSc3nnc(-c4ccccc4)n3Cc3ccco3)[nH+]c12 ZINC000008724066 571107403 /nfs/dbraw/zinc/10/74/03/571107403.db2.gz RTBKDKAQFSDWJZ-UHFFFAOYSA-N 1 2 401.495 4.835 50 0 HJAALO COc1ccc(-c2c(C)n[nH]c2-c2ccc(OCC[NH+]3CCC(C)CC3)cc2O)cc1 ZINC000008743933 571111067 /nfs/dbraw/zinc/11/10/67/571111067.db2.gz UDZDRWOMAGTQSN-UHFFFAOYSA-N 1 2 421.541 4.877 50 0 HJAALO C[C@@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040068792 571148902 /nfs/dbraw/zinc/14/89/02/571148902.db2.gz VKDVMAJMEYUDKE-OAHLLOKOSA-N 1 2 418.419 4.674 50 0 HJAALO COc1ccc(N(Cc2cccs2)C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000008981661 571204433 /nfs/dbraw/zinc/20/44/33/571204433.db2.gz NYZBEEUDPWNCKS-MRXNPFEDSA-N 1 2 412.580 4.971 50 0 HJAALO COc1ccc(N(Cc2cccs2)C(=O)C[N@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000008981661 571204435 /nfs/dbraw/zinc/20/44/35/571204435.db2.gz NYZBEEUDPWNCKS-MRXNPFEDSA-N 1 2 412.580 4.971 50 0 HJAALO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000008981428 571204456 /nfs/dbraw/zinc/20/44/56/571204456.db2.gz RAPRFNYZSAFSBJ-LJQANCHMSA-N 1 2 420.553 4.902 50 0 HJAALO Cc1cccc(C)c1NC(=O)C[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000008981428 571204458 /nfs/dbraw/zinc/20/44/58/571204458.db2.gz RAPRFNYZSAFSBJ-LJQANCHMSA-N 1 2 420.553 4.902 50 0 HJAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)ccc1N1CCCC1 ZINC000009117989 571224531 /nfs/dbraw/zinc/22/45/31/571224531.db2.gz IBMHHVOAVMNPMH-OAQYLSRUSA-N 1 2 420.582 4.981 50 0 HJAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)ccc1N1CCCC1 ZINC000009117989 571224534 /nfs/dbraw/zinc/22/45/34/571224534.db2.gz IBMHHVOAVMNPMH-OAQYLSRUSA-N 1 2 420.582 4.981 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000009254640 571243288 /nfs/dbraw/zinc/24/32/88/571243288.db2.gz URJBXPSKSWKBNT-RUZDIDTESA-N 1 2 415.562 4.536 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000009254640 571243289 /nfs/dbraw/zinc/24/32/89/571243289.db2.gz URJBXPSKSWKBNT-RUZDIDTESA-N 1 2 415.562 4.536 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000009517768 571265429 /nfs/dbraw/zinc/26/54/29/571265429.db2.gz QFBHKQGQKDIPCX-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1NC(=O)c1ccco1 ZINC000009549696 571268160 /nfs/dbraw/zinc/26/81/60/571268160.db2.gz RLMNMUXPDNZFCC-KRWDZBQOSA-N 1 2 414.465 4.517 50 0 HJAALO COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c(OC)c1 ZINC000003626328 132267312 /nfs/dbraw/zinc/26/73/12/132267312.db2.gz WPGZDHULDUQDJY-UHFFFAOYSA-N 1 2 405.498 4.803 50 0 HJAALO CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)n2)cc1 ZINC000032902032 519009568 /nfs/dbraw/zinc/00/95/68/519009568.db2.gz DNZHELKXGDTYOD-UHFFFAOYSA-N 1 2 403.511 4.941 50 0 HJAALO C[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000032512854 523237647 /nfs/dbraw/zinc/23/76/47/523237647.db2.gz NNYBHTWRSQWHIN-UHFFFAOYSA-N 1 2 401.944 4.770 50 0 HJAALO C[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000032512854 523237658 /nfs/dbraw/zinc/23/76/58/523237658.db2.gz NNYBHTWRSQWHIN-UHFFFAOYSA-N 1 2 401.944 4.770 50 0 HJAALO COc1ccc(CCC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1 ZINC000032960833 523926293 /nfs/dbraw/zinc/92/62/93/523926293.db2.gz NIGXWABHWPLHFZ-UHFFFAOYSA-N 1 2 413.521 4.938 50 0 HJAALO COc1ccc(NC(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)cc1 ZINC000032951476 524565889 /nfs/dbraw/zinc/56/58/89/524565889.db2.gz YQLFHKSGRONONQ-UHFFFAOYSA-N 1 2 414.509 4.652 50 0 HJAALO Cc1cc2occ(CC(=O)NCc3ccccc3Cn3cc[nH+]c3)c2cc1C(C)C ZINC000032860007 525696497 /nfs/dbraw/zinc/69/64/97/525696497.db2.gz UCXSUQCDSZNSHF-UHFFFAOYSA-N 1 2 401.510 4.968 50 0 HJAALO Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)[C@@H](C)n2cc[nH+]c2)cc1C ZINC000044952569 525840638 /nfs/dbraw/zinc/84/06/38/525840638.db2.gz PKPSVAMFLSGJIO-HXUWFJFHSA-N 1 2 413.525 4.572 50 0 HJAALO O=C(C[NH+]1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1)Nc1ccccc1 ZINC000032906780 526780437 /nfs/dbraw/zinc/78/04/37/526780437.db2.gz BHBYXJUOVBKNRH-UHFFFAOYSA-N 1 2 422.532 4.663 50 0 HJAALO Cn1c(CCc2ccc(NC(=O)COc3ccc(F)cc3)cc2)[nH+]c2ccccc21 ZINC000032960898 527051141 /nfs/dbraw/zinc/05/11/41/527051141.db2.gz VBXLHIRBGFDRLM-UHFFFAOYSA-N 1 2 403.457 4.515 50 0 HJAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000020538493 527147073 /nfs/dbraw/zinc/14/70/73/527147073.db2.gz FZTRROXWFXGLRP-GOSISDBHSA-N 1 2 400.935 4.580 50 0 HJAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000020538493 527147077 /nfs/dbraw/zinc/14/70/77/527147077.db2.gz FZTRROXWFXGLRP-GOSISDBHSA-N 1 2 400.935 4.580 50 0 HJAALO CCn1c2ccccc2[nH+]c1NCc1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000000892341 557112702 /nfs/dbraw/zinc/11/27/02/557112702.db2.gz YTNRMDJNVNOYJU-UHFFFAOYSA-N 1 2 420.538 4.778 50 0 HJAALO CC[C@@H](C)C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022632804 557298874 /nfs/dbraw/zinc/29/88/74/557298874.db2.gz MHEQRTSHOXGDLA-UTKZUKDTSA-N 1 2 415.375 4.729 50 0 HJAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(Br)o3)ccc2[nH+]1 ZINC000002458823 557350213 /nfs/dbraw/zinc/35/02/13/557350213.db2.gz IZCJMEWSRTWZMW-UHFFFAOYSA-N 1 2 402.292 4.997 50 0 HJAALO c1cc(C[N@@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)cs1 ZINC000034755970 557458400 /nfs/dbraw/zinc/45/84/00/557458400.db2.gz NAUFJYOPOYRPIO-UHFFFAOYSA-N 1 2 406.555 4.879 50 0 HJAALO c1cc(C[N@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)cs1 ZINC000034755970 557458403 /nfs/dbraw/zinc/45/84/03/557458403.db2.gz NAUFJYOPOYRPIO-UHFFFAOYSA-N 1 2 406.555 4.879 50 0 HJAALO O=C(NCc1ccccc1)C1CCN(c2[nH+]c3ccccc3n2C2CCCC2)CC1 ZINC000034906661 557473877 /nfs/dbraw/zinc/47/38/77/557473877.db2.gz ILXJQQKVEXZKKB-UHFFFAOYSA-N 1 2 402.542 4.684 50 0 HJAALO CCCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000034909997 557475802 /nfs/dbraw/zinc/47/58/02/557475802.db2.gz IAPKOHYZCJMCTL-UHFFFAOYSA-N 1 2 408.521 4.508 50 0 HJAALO COc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc(OC)c1O ZINC000005032498 557628180 /nfs/dbraw/zinc/62/81/80/557628180.db2.gz YBEGIMIGWSUBTG-NRFANRHFSA-N 1 2 406.526 4.956 50 0 HJAALO COc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc(OC)c1O ZINC000005032498 557628181 /nfs/dbraw/zinc/62/81/81/557628181.db2.gz YBEGIMIGWSUBTG-NRFANRHFSA-N 1 2 406.526 4.956 50 0 HJAALO Cc1ccc([C@@H](C2Sc3nc(-c4ccco4)nn3C2=O)[NH+]2CCC(C)CC2)cc1 ZINC000022852362 557839830 /nfs/dbraw/zinc/83/98/30/557839830.db2.gz RLOBANSITCMSNZ-SFHVURJKSA-N 1 2 408.527 4.886 50 0 HJAALO Cc1ccc(C2(c3noc(CN4CCCC[C@@H]4c4[nH+]ccn4C)n3)CCCC2)cc1 ZINC000011820449 558283889 /nfs/dbraw/zinc/28/38/89/558283889.db2.gz GFBWRLZBLKQUJC-HXUWFJFHSA-N 1 2 405.546 4.699 50 0 HJAALO Cc1ccc2nc(OCc3ccccc3C)c(C[N@@H+](C)Cc3cnn(C)c3)cc2c1 ZINC000011839748 558286227 /nfs/dbraw/zinc/28/62/27/558286227.db2.gz HKXAXUPZEBNIKQ-UHFFFAOYSA-N 1 2 400.526 4.796 50 0 HJAALO Cc1ccc2nc(OCc3ccccc3C)c(C[N@H+](C)Cc3cnn(C)c3)cc2c1 ZINC000011839748 558286228 /nfs/dbraw/zinc/28/62/28/558286228.db2.gz HKXAXUPZEBNIKQ-UHFFFAOYSA-N 1 2 400.526 4.796 50 0 HJAALO C[N@@H+]1CCc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)C1 ZINC000020290085 558353945 /nfs/dbraw/zinc/35/39/45/558353945.db2.gz OFZFYMBDLKMFOA-UHFFFAOYSA-N 1 2 411.383 4.861 50 0 HJAALO C[N@H+]1CCc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)C1 ZINC000020290085 558353947 /nfs/dbraw/zinc/35/39/47/558353947.db2.gz OFZFYMBDLKMFOA-UHFFFAOYSA-N 1 2 411.383 4.861 50 0 HJAALO COc1ccc(C[N@H+](C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)cc1OC ZINC000012471316 558421938 /nfs/dbraw/zinc/42/19/38/558421938.db2.gz KTLOHTCJZWLCFC-UHFFFAOYSA-N 1 2 421.541 4.887 50 0 HJAALO COc1ccc(C[N@@H+](C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)cc1OC ZINC000012471316 558421942 /nfs/dbraw/zinc/42/19/42/558421942.db2.gz KTLOHTCJZWLCFC-UHFFFAOYSA-N 1 2 421.541 4.887 50 0 HJAALO CCOc1cc(C[N@H+](CC(=O)Nc2cccc(C)c2C)C2CC2)ccc1OC(F)F ZINC000021584980 558442258 /nfs/dbraw/zinc/44/22/58/558442258.db2.gz ZJRTWQKHTZEXRD-UHFFFAOYSA-N 1 2 418.484 4.907 50 0 HJAALO CCOc1cc(C[N@@H+](CC(=O)Nc2cccc(C)c2C)C2CC2)ccc1OC(F)F ZINC000021584980 558442260 /nfs/dbraw/zinc/44/22/60/558442260.db2.gz ZJRTWQKHTZEXRD-UHFFFAOYSA-N 1 2 418.484 4.907 50 0 HJAALO O=C(CCc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012703414 558448586 /nfs/dbraw/zinc/44/85/86/558448586.db2.gz MJFUTEZAJGHZBF-IBGZPJMESA-N 1 2 409.917 4.804 50 0 HJAALO O=C(CCc1ccccc1)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012703414 558448590 /nfs/dbraw/zinc/44/85/90/558448590.db2.gz MJFUTEZAJGHZBF-IBGZPJMESA-N 1 2 409.917 4.804 50 0 HJAALO c1sc(-c2ccccc2)nc1CN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000022136947 558464460 /nfs/dbraw/zinc/46/44/60/558464460.db2.gz CSTCGNKYFMTOHP-UHFFFAOYSA-N 1 2 406.580 4.738 50 0 HJAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(F)cc3Br)n2)C1 ZINC000012793545 558467109 /nfs/dbraw/zinc/46/71/09/558467109.db2.gz RLGFRBOZABPVDM-NSHDSACASA-N 1 2 412.328 4.529 50 0 HJAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(F)cc3Br)n2)C1 ZINC000012793545 558467110 /nfs/dbraw/zinc/46/71/10/558467110.db2.gz RLGFRBOZABPVDM-NSHDSACASA-N 1 2 412.328 4.529 50 0 HJAALO COc1cc(OC)c(NC(=O)C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1Cl ZINC000012805859 558473472 /nfs/dbraw/zinc/47/34/72/558473472.db2.gz DECGDULPNZNYAS-LBPRGKRZSA-N 1 2 419.934 4.598 50 0 HJAALO COc1cc(OC)c(NC(=O)C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1Cl ZINC000012805859 558473474 /nfs/dbraw/zinc/47/34/74/558473474.db2.gz DECGDULPNZNYAS-LBPRGKRZSA-N 1 2 419.934 4.598 50 0 HJAALO COc1cc(OC)c(NC(=O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1Cl ZINC000012805864 558473512 /nfs/dbraw/zinc/47/35/12/558473512.db2.gz DECGDULPNZNYAS-GFCCVEGCSA-N 1 2 419.934 4.598 50 0 HJAALO COc1cc(OC)c(NC(=O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc1Cl ZINC000012805864 558473515 /nfs/dbraw/zinc/47/35/15/558473515.db2.gz DECGDULPNZNYAS-GFCCVEGCSA-N 1 2 419.934 4.598 50 0 HJAALO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012979606 558493021 /nfs/dbraw/zinc/49/30/21/558493021.db2.gz TULHHXWVLOSNCN-SFHVURJKSA-N 1 2 424.957 4.981 50 0 HJAALO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012979606 558493024 /nfs/dbraw/zinc/49/30/24/558493024.db2.gz TULHHXWVLOSNCN-SFHVURJKSA-N 1 2 424.957 4.981 50 0 HJAALO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000012980819 558493415 /nfs/dbraw/zinc/49/34/15/558493415.db2.gz RLXZABJAQJSBMG-UHFFFAOYSA-N 1 2 409.530 4.524 50 0 HJAALO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000023956400 558582641 /nfs/dbraw/zinc/58/26/41/558582641.db2.gz QGUUKFIHKHTXCP-VWLOTQADSA-N 1 2 411.505 4.937 50 0 HJAALO O=c1nc(C[N@@H+]2CCc3sccc3[C@@H]2C2CC2)[nH]c2scc(-c3ccco3)c21 ZINC000024498007 558599483 /nfs/dbraw/zinc/59/94/83/558599483.db2.gz BHEFIGGMYOLWJQ-IBGZPJMESA-N 1 2 409.536 4.816 50 0 HJAALO O=c1nc(C[N@H+]2CCc3sccc3[C@@H]2C2CC2)[nH]c2scc(-c3ccco3)c21 ZINC000024498007 558599484 /nfs/dbraw/zinc/59/94/84/558599484.db2.gz BHEFIGGMYOLWJQ-IBGZPJMESA-N 1 2 409.536 4.816 50 0 HJAALO Cc1cc2oc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cc(=O)c2cc1C ZINC000028289542 558696163 /nfs/dbraw/zinc/69/61/63/558696163.db2.gz XZVZODRHAJZTQU-HXUWFJFHSA-N 1 2 424.928 4.630 50 0 HJAALO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000015063722 558706562 /nfs/dbraw/zinc/70/65/62/558706562.db2.gz QHJKGQZTSPHJHH-OAQYLSRUSA-N 1 2 419.525 4.558 50 0 HJAALO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000015063722 558706564 /nfs/dbraw/zinc/70/65/64/558706564.db2.gz QHJKGQZTSPHJHH-OAQYLSRUSA-N 1 2 419.525 4.558 50 0 HJAALO COc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)c2[nH+]ccn2C)c1 ZINC000029729884 558719462 /nfs/dbraw/zinc/71/94/62/558719462.db2.gz IDQZIFQJSMUCNN-VGOFRKELSA-N 1 2 406.530 4.702 50 0 HJAALO COC(=O)c1ccccc1Nc1c(-c2ccc(O)c(OC)c2)[nH+]c2ccc(C)cn21 ZINC000015414430 558738996 /nfs/dbraw/zinc/73/89/96/558738996.db2.gz SQEHBKSACLMGMM-UHFFFAOYSA-N 1 2 403.438 4.554 50 0 HJAALO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cs1 ZINC000072309169 558772248 /nfs/dbraw/zinc/77/22/48/558772248.db2.gz TYYZHRJASOZBNC-NRFANRHFSA-N 1 2 423.607 4.923 50 0 HJAALO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCSC[C@H]2c2ccccc2)cs1 ZINC000072309169 558772250 /nfs/dbraw/zinc/77/22/50/558772250.db2.gz TYYZHRJASOZBNC-NRFANRHFSA-N 1 2 423.607 4.923 50 0 HJAALO CCCCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034909958 558787545 /nfs/dbraw/zinc/78/75/45/558787545.db2.gz WFCUICWVLUFGCS-IBGZPJMESA-N 1 2 404.558 4.930 50 0 HJAALO COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)[nH+]c2cc(C)ccn21 ZINC000035616092 558794508 /nfs/dbraw/zinc/79/45/08/558794508.db2.gz CNEBRUWDTNOLCV-UHFFFAOYSA-N 1 2 400.482 4.906 50 0 HJAALO O=C(c1oc2ccccc2c1CSc1ncccn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000071853803 558835780 /nfs/dbraw/zinc/83/57/80/558835780.db2.gz YWLUZIFXWUGTJY-QGZVFWFLSA-N 1 2 419.510 4.606 50 0 HJAALO CC(=O)Nc1ccc(C(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1 ZINC000033019670 558836119 /nfs/dbraw/zinc/83/61/19/558836119.db2.gz DLGDVDCEVZVWIL-UHFFFAOYSA-N 1 2 412.493 4.569 50 0 HJAALO Cc1oc(-c2cc(F)cc(F)c2)nc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055053579 558870863 /nfs/dbraw/zinc/87/08/63/558870863.db2.gz AGHFDGHTDKVULE-UHFFFAOYSA-N 1 2 403.860 4.904 50 0 HJAALO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000058143661 558901681 /nfs/dbraw/zinc/90/16/81/558901681.db2.gz FSEMFGGOALFGIN-HZPDHXFCSA-N 1 2 405.567 4.960 50 0 HJAALO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000058143661 558901684 /nfs/dbraw/zinc/90/16/84/558901684.db2.gz FSEMFGGOALFGIN-HZPDHXFCSA-N 1 2 405.567 4.960 50 0 HJAALO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000058143667 558901728 /nfs/dbraw/zinc/90/17/28/558901728.db2.gz FSEMFGGOALFGIN-JKSUJKDBSA-N 1 2 405.567 4.960 50 0 HJAALO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000058143667 558901730 /nfs/dbraw/zinc/90/17/30/558901730.db2.gz FSEMFGGOALFGIN-JKSUJKDBSA-N 1 2 405.567 4.960 50 0 HJAALO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+](C)C ZINC000058158676 558904016 /nfs/dbraw/zinc/90/40/16/558904016.db2.gz IOGLSPRBHIQGNA-NRFANRHFSA-N 1 2 413.924 4.606 50 0 HJAALO COc1ccc(-c2nc3c(C)cccc3cc2C[N@H+](C)Cc2ccon2)cc1OC ZINC000072462951 558983199 /nfs/dbraw/zinc/98/31/99/558983199.db2.gz KAKTWDVFXOHEHD-UHFFFAOYSA-N 1 2 403.482 4.847 50 0 HJAALO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+](C)Cc2ccon2)cc1OC ZINC000072462951 558983201 /nfs/dbraw/zinc/98/32/01/558983201.db2.gz KAKTWDVFXOHEHD-UHFFFAOYSA-N 1 2 403.482 4.847 50 0 HJAALO Cc1cc(N2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)[nH+]c2ccccc12 ZINC000072463722 558983309 /nfs/dbraw/zinc/98/33/09/558983309.db2.gz CORTZHUEIWAUQB-RUZDIDTESA-N 1 2 403.501 4.701 50 0 HJAALO CC(=O)c1cc(C[NH+]2CCC3(CN(C[C@H](C)c4ccccc4)C(=O)O3)CC2)cs1 ZINC000072481373 558984202 /nfs/dbraw/zinc/98/42/02/558984202.db2.gz GBGZJXCARCEGIS-KRWDZBQOSA-N 1 2 412.555 4.541 50 0 HJAALO CCCc1ccc(-c2nc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)sc2C)cc1 ZINC000023184907 559030831 /nfs/dbraw/zinc/03/08/31/559030831.db2.gz JYHJGFFRABTUCU-UHFFFAOYSA-N 1 2 403.511 4.904 50 0 HJAALO CCOC(=O)c1c(NC(=O)C[NH+]2CCCCC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000004747125 559045455 /nfs/dbraw/zinc/04/54/55/559045455.db2.gz NNSLQOJIFLIQGA-UHFFFAOYSA-N 1 2 420.962 4.978 50 0 HJAALO C[C@@H]1CCC[N@H+](CC(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)C1 ZINC000005030971 559230924 /nfs/dbraw/zinc/23/09/24/559230924.db2.gz WJVSQCGOLIVPSF-OAHLLOKOSA-N 1 2 410.514 4.738 50 0 HJAALO C[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)C1 ZINC000005030971 559230926 /nfs/dbraw/zinc/23/09/26/559230926.db2.gz WJVSQCGOLIVPSF-OAHLLOKOSA-N 1 2 410.514 4.738 50 0 HJAALO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248082407 559261905 /nfs/dbraw/zinc/26/19/05/559261905.db2.gz CXNOADGZESBRKN-MOPGFXCFSA-N 1 2 407.272 4.878 50 0 HJAALO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248082407 559261906 /nfs/dbraw/zinc/26/19/06/559261906.db2.gz CXNOADGZESBRKN-MOPGFXCFSA-N 1 2 407.272 4.878 50 0 HJAALO Cc1ccc(Cl)cc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000005500058 560598410 /nfs/dbraw/zinc/59/84/10/560598410.db2.gz XLRKSXMUJQTLEH-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)sc1-c1ccc(F)cc1 ZINC000225384262 568633251 /nfs/dbraw/zinc/63/32/51/568633251.db2.gz ROXSKPNCVYCXEM-KRWDZBQOSA-N 1 2 409.530 4.604 50 0 HJAALO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccn3)C[C@@H]2C)sc1-c1ccc(F)cc1 ZINC000225384262 568633252 /nfs/dbraw/zinc/63/32/52/568633252.db2.gz ROXSKPNCVYCXEM-KRWDZBQOSA-N 1 2 409.530 4.604 50 0 HJAALO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000225417354 568636039 /nfs/dbraw/zinc/63/60/39/568636039.db2.gz XYWFIKXMTPDKJH-FQEVSTJZSA-N 1 2 405.589 4.847 50 0 HJAALO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000225417354 568636040 /nfs/dbraw/zinc/63/60/40/568636040.db2.gz XYWFIKXMTPDKJH-FQEVSTJZSA-N 1 2 405.589 4.847 50 0 HJAALO O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000095946798 568664710 /nfs/dbraw/zinc/66/47/10/568664710.db2.gz GQPUGBTYDQCTDC-UHFFFAOYSA-N 1 2 412.493 4.742 50 0 HJAALO Cc1nc(-c2ccccc2C)sc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000096102826 568691527 /nfs/dbraw/zinc/69/15/27/568691527.db2.gz ZFEAOQNJHVFPEI-UHFFFAOYSA-N 1 2 402.523 4.602 50 0 HJAALO O=C(c1cc2ccccc2cc1O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393158 568696342 /nfs/dbraw/zinc/69/63/42/568696342.db2.gz HSKZHKKIELTUKL-UHFFFAOYSA-N 1 2 414.427 4.522 50 0 HJAALO Cc1ccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000096317191 568726221 /nfs/dbraw/zinc/72/62/21/568726221.db2.gz AZIYEKRBBHKOSN-UHFFFAOYSA-N 1 2 408.590 4.502 50 0 HJAALO COc1cccc([C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)c1 ZINC000012507648 568839678 /nfs/dbraw/zinc/83/96/78/568839678.db2.gz DXUVBROHLAQQDU-KRWDZBQOSA-N 1 2 405.285 4.647 50 0 HJAALO CCN(CC)c1ccc(-c2nnc(SCc3cn4cccc(C)c4[nH+]3)n2C)cc1 ZINC000012531307 568844146 /nfs/dbraw/zinc/84/41/46/568844146.db2.gz IVTFTGDJJBNLMU-UHFFFAOYSA-N 1 2 406.559 4.577 50 0 HJAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000057531706 568852342 /nfs/dbraw/zinc/85/23/42/568852342.db2.gz JDUMBRAECBYFPB-NRFANRHFSA-N 1 2 418.566 4.664 50 0 HJAALO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000057531706 568852344 /nfs/dbraw/zinc/85/23/44/568852344.db2.gz JDUMBRAECBYFPB-NRFANRHFSA-N 1 2 418.566 4.664 50 0 HJAALO Cc1nc(COc2cccc(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)c2)cs1 ZINC000012559401 568857169 /nfs/dbraw/zinc/85/71/69/568857169.db2.gz GJFQTHIOOYDHNP-MRXNPFEDSA-N 1 2 418.522 4.707 50 0 HJAALO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057718063 568858768 /nfs/dbraw/zinc/85/87/68/568858768.db2.gz CPHFZLPQLUJFSY-CYBMUJFWSA-N 1 2 408.449 4.700 50 0 HJAALO COc1ccc(F)cc1C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000012761702 568946034 /nfs/dbraw/zinc/94/60/34/568946034.db2.gz MSMNMSRECOVTHF-UHFFFAOYSA-N 1 2 408.473 4.522 50 0 HJAALO COc1ccc(F)cc1C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000012761702 568946035 /nfs/dbraw/zinc/94/60/35/568946035.db2.gz MSMNMSRECOVTHF-UHFFFAOYSA-N 1 2 408.473 4.522 50 0 HJAALO COc1ccc(C[N@H+](C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)cc1 ZINC000012765781 568948283 /nfs/dbraw/zinc/94/82/83/568948283.db2.gz ONPWWQVAVHREIP-UHFFFAOYSA-N 1 2 419.550 4.909 50 0 HJAALO COc1ccc(C[N@@H+](C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)cc1 ZINC000012765781 568948285 /nfs/dbraw/zinc/94/82/85/568948285.db2.gz ONPWWQVAVHREIP-UHFFFAOYSA-N 1 2 419.550 4.909 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000008118067 568974336 /nfs/dbraw/zinc/97/43/36/568974336.db2.gz ONZWNUJUWHDYBV-SFHVURJKSA-N 1 2 407.823 4.541 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000008118066 568974384 /nfs/dbraw/zinc/97/43/84/568974384.db2.gz ONZWNUJUWHDYBV-GOSISDBHSA-N 1 2 407.823 4.541 50 0 HJAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1cc2ccccc2oc1=O ZINC000015863640 569016200 /nfs/dbraw/zinc/01/62/00/569016200.db2.gz NNDUNVHHSGPKIA-UHFFFAOYSA-N 1 2 409.445 4.707 50 0 HJAALO O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1 ZINC000015863901 569016313 /nfs/dbraw/zinc/01/63/13/569016313.db2.gz CNMNFNXOHDKZKX-UHFFFAOYSA-N 1 2 409.493 4.796 50 0 HJAALO Cc1ccc(S(=O)(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1C ZINC000015870542 569017394 /nfs/dbraw/zinc/01/73/94/569017394.db2.gz YPBZEVVIUHWXNL-UHFFFAOYSA-N 1 2 419.550 4.776 50 0 HJAALO COc1ccc(C(=O)C2CC[NH+](Cc3csc(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000012905658 569021227 /nfs/dbraw/zinc/02/12/27/569021227.db2.gz CUSZEGILKYOVII-UHFFFAOYSA-N 1 2 422.550 4.922 50 0 HJAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2cc1Cl ZINC000054106003 569057550 /nfs/dbraw/zinc/05/75/50/569057550.db2.gz QXJFRORCVSYWMB-UHFFFAOYSA-N 1 2 403.309 4.730 50 0 HJAALO Cc1[nH+]c2ccc(Br)cc2c2c1C[C@H]([C@@](C)(Cl)Br)O2 ZINC000001211862 569060302 /nfs/dbraw/zinc/06/03/02/569060302.db2.gz CVHUBQBRMHLQCZ-TZMCWYRMSA-N 1 2 405.517 4.959 50 0 biogenic HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690050 569070567 /nfs/dbraw/zinc/07/05/67/569070567.db2.gz MZUKNHVZUQMFLD-WBMJQRKESA-N 1 2 424.492 4.899 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690050 569070568 /nfs/dbraw/zinc/07/05/68/569070568.db2.gz MZUKNHVZUQMFLD-WBMJQRKESA-N 1 2 424.492 4.899 50 0 HJAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000016690127 569070600 /nfs/dbraw/zinc/07/06/00/569070600.db2.gz CAGJIBIIVMKPNX-SPYBWZPUSA-N 1 2 414.575 4.525 50 0 HJAALO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016690126 569070628 /nfs/dbraw/zinc/07/06/28/569070628.db2.gz CAGJIBIIVMKPNX-KHYOSLBOSA-N 1 2 414.575 4.525 50 0 HJAALO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016690126 569070629 /nfs/dbraw/zinc/07/06/29/569070629.db2.gz CAGJIBIIVMKPNX-KHYOSLBOSA-N 1 2 414.575 4.525 50 0 HJAALO O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1[nH+]ccn1Cc1cccc(F)c1 ZINC000006689607 569089352 /nfs/dbraw/zinc/08/93/52/569089352.db2.gz DMDSCJOWEBQEPI-UHFFFAOYSA-N 1 2 407.420 4.645 50 0 HJAALO O=C(c1ccccc1F)N(Cc1[nH+]ccn1Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000006688952 569089526 /nfs/dbraw/zinc/08/95/26/569089526.db2.gz RAXJDVZUWVWQHY-UHFFFAOYSA-N 1 2 417.406 4.894 50 0 HJAALO O=C(Cc1cccc(Cl)c1)NCCn1c(CCc2ccccc2)[nH+]c2ccccc21 ZINC000064888006 569115246 /nfs/dbraw/zinc/11/52/46/569115246.db2.gz IYPYMSOLRVXAFZ-UHFFFAOYSA-N 1 2 417.940 4.834 50 0 HJAALO CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000169681413 569127524 /nfs/dbraw/zinc/12/75/24/569127524.db2.gz RQONEVZOUKMWKP-HXUWFJFHSA-N 1 2 421.585 4.526 50 0 HJAALO CCN(CC)c1nc(SCc2ccc(C(=O)NCc3ccco3)cc2)[nH+]c(C)c1C ZINC000006802084 569129682 /nfs/dbraw/zinc/12/96/82/569129682.db2.gz QKODGPTYHSGODC-UHFFFAOYSA-N 1 2 424.570 4.755 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000036370436 569154124 /nfs/dbraw/zinc/15/41/24/569154124.db2.gz MZUKNHVZUQMFLD-LRDDRELGSA-N 1 2 424.492 4.899 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000036370436 569154126 /nfs/dbraw/zinc/15/41/26/569154126.db2.gz MZUKNHVZUQMFLD-LRDDRELGSA-N 1 2 424.492 4.899 50 0 HJAALO CC[N@H+](CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)c1ccccc1 ZINC000006901890 569177896 /nfs/dbraw/zinc/17/78/96/569177896.db2.gz IKWDTRNMKZIWFB-UHFFFAOYSA-N 1 2 420.557 4.696 50 0 HJAALO CC[N@@H+](CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)c1ccccc1 ZINC000006901890 569177898 /nfs/dbraw/zinc/17/78/98/569177898.db2.gz IKWDTRNMKZIWFB-UHFFFAOYSA-N 1 2 420.557 4.696 50 0 HJAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000007359876 569234999 /nfs/dbraw/zinc/23/49/99/569234999.db2.gz PFBHJRKGIJALSK-OAQYLSRUSA-N 1 2 403.551 4.749 50 0 HJAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000007359876 569235000 /nfs/dbraw/zinc/23/50/00/569235000.db2.gz PFBHJRKGIJALSK-OAQYLSRUSA-N 1 2 403.551 4.749 50 0 HJAALO COc1cc(OC)c(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000037522442 569303321 /nfs/dbraw/zinc/30/33/21/569303321.db2.gz WZDQDYKMPVIABJ-XMMPIXPASA-N 1 2 410.489 4.648 50 0 HJAALO COc1cc(OC)c(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000037522442 569303323 /nfs/dbraw/zinc/30/33/23/569303323.db2.gz WZDQDYKMPVIABJ-XMMPIXPASA-N 1 2 410.489 4.648 50 0 HJAALO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000013141288 569409853 /nfs/dbraw/zinc/40/98/53/569409853.db2.gz UKTYHSBITJZGAP-HSZRJFAPSA-N 1 2 423.919 4.981 50 0 HJAALO CCc1ccc(CNc2c(C(=O)N3CCOCC3)c[nH+]c3ccc(Cl)cc32)cc1 ZINC000067288320 571066068 /nfs/dbraw/zinc/06/60/68/571066068.db2.gz YOMHEACQBNFJJS-UHFFFAOYSA-N 1 2 409.917 4.535 50 0 HJAALO O=C(CCc1cccc(Cl)c1Cl)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000040093901 571161736 /nfs/dbraw/zinc/16/17/36/571161736.db2.gz ZVONABMYLCZRMT-UHFFFAOYSA-N 1 2 402.325 4.530 50 0 HJAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009377159 571253048 /nfs/dbraw/zinc/25/30/48/571253048.db2.gz CNAZFLRECGFNLO-INIZCTEOSA-N 1 2 404.539 4.615 50 0 HJAALO Cc1cc(C)cc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000009517697 571265380 /nfs/dbraw/zinc/26/53/80/571265380.db2.gz PXCBWNGICXHGKR-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccccc3OC)cc2)n1 ZINC000009573393 571269204 /nfs/dbraw/zinc/26/92/04/571269204.db2.gz IQGITXLFWPREAU-UHFFFAOYSA-N 1 2 405.502 4.636 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000009680015 571279200 /nfs/dbraw/zinc/27/92/00/571279200.db2.gz QAQVSIPIXVEIMI-JOCHJYFZSA-N 1 2 420.900 4.567 50 0 HJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCC(C)CC3)cc12 ZINC000004881569 132291552 /nfs/dbraw/zinc/29/15/52/132291552.db2.gz ZDRAXPFEYQXCPL-UHFFFAOYSA-N 1 2 422.573 4.511 50 0 HJAALO COc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)c(OC)c1 ZINC000032960617 523748557 /nfs/dbraw/zinc/74/85/57/523748557.db2.gz XNFQQBSBDTVEHY-UHFFFAOYSA-N 1 2 401.466 4.618 50 0 HJAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc12 ZINC000032953854 525085054 /nfs/dbraw/zinc/08/50/54/525085054.db2.gz CPFVJTIBUVGIRA-UHFFFAOYSA-N 1 2 414.868 4.816 50 0 HJAALO CCCCCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)[nH+]c(C)c2CC)CC1 ZINC000006705062 534977487 /nfs/dbraw/zinc/97/74/87/534977487.db2.gz JOENVGWRIMHEMG-UHFFFAOYSA-N 1 2 408.590 4.942 50 0 HJAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccccc4)cc3n2)cc1 ZINC000001070538 557169140 /nfs/dbraw/zinc/16/91/40/557169140.db2.gz ZXMAXKZASXIVEF-UHFFFAOYSA-N 1 2 413.525 4.756 50 0 HJAALO Cc1ccccc1OCc1nn(C[NH+]2CCC(C)CC2)c(=S)n1-c1ccccc1 ZINC000001426192 557261855 /nfs/dbraw/zinc/26/18/55/557261855.db2.gz DBRQLIXLKFWHTO-UHFFFAOYSA-N 1 2 408.571 4.980 50 0 HJAALO Fc1ccc(C[N@@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)cc1 ZINC000034755678 557458416 /nfs/dbraw/zinc/45/84/16/557458416.db2.gz WAAGEXGHEHGMKF-UHFFFAOYSA-N 1 2 418.516 4.957 50 0 HJAALO Fc1ccc(C[N@H+]2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)cc1 ZINC000034755678 557458419 /nfs/dbraw/zinc/45/84/19/557458419.db2.gz WAAGEXGHEHGMKF-UHFFFAOYSA-N 1 2 418.516 4.957 50 0 HJAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000034906763 557473982 /nfs/dbraw/zinc/47/39/82/557473982.db2.gz IEOQRPLVQUTTCG-UHFFFAOYSA-N 1 2 418.585 4.658 50 0 HJAALO Cc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1F)N1NC=NC1=[NH+]2 ZINC000006504825 557705941 /nfs/dbraw/zinc/70/59/41/557705941.db2.gz YYDSFJWQMQLFEM-BJKOFHAPSA-N 1 2 410.452 4.938 50 0 HJAALO Cc1[nH+]c2ccccc2n1CCc1nc2c3ccccc3nc(NCCC(C)C)n2n1 ZINC000006739400 557718537 /nfs/dbraw/zinc/71/85/37/557718537.db2.gz XBBQDAKGQJWREF-UHFFFAOYSA-N 1 2 413.529 4.636 50 0 HJAALO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2csc(C(C)=O)c2)CC1 ZINC000011753832 558272569 /nfs/dbraw/zinc/27/25/69/558272569.db2.gz YCWGOUQNZGWRDL-UHFFFAOYSA-N 1 2 415.555 4.565 50 0 HJAALO Cc1ccc(C2(c3noc(CN4CCCC[C@H]4c4[nH+]ccn4C)n3)CCCC2)cc1 ZINC000011820450 558283975 /nfs/dbraw/zinc/28/39/75/558283975.db2.gz GFBWRLZBLKQUJC-FQEVSTJZSA-N 1 2 405.546 4.699 50 0 HJAALO C[N@@H+]1CCc2nc3sc(NC(=O)Nc4ccccc4)c(-n4cccc4)c3cc2C1 ZINC000019889332 558302448 /nfs/dbraw/zinc/30/24/48/558302448.db2.gz KBLFTECDSFZICE-UHFFFAOYSA-N 1 2 403.511 4.719 50 0 HJAALO C[N@H+]1CCc2nc3sc(NC(=O)Nc4ccccc4)c(-n4cccc4)c3cc2C1 ZINC000019889332 558302453 /nfs/dbraw/zinc/30/24/53/558302453.db2.gz KBLFTECDSFZICE-UHFFFAOYSA-N 1 2 403.511 4.719 50 0 HJAALO C[C@@](O)(COc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1)CCO2 ZINC000012130685 558332565 /nfs/dbraw/zinc/33/25/65/558332565.db2.gz VCQJLZYLYNSMSV-RUZDIDTESA-N 1 2 407.485 4.507 50 0 HJAALO C[C@@](O)(COc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000012130685 558332567 /nfs/dbraw/zinc/33/25/67/558332567.db2.gz VCQJLZYLYNSMSV-RUZDIDTESA-N 1 2 407.485 4.507 50 0 HJAALO O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020137653 558337972 /nfs/dbraw/zinc/33/79/72/558337972.db2.gz PUJWMCTWQOSSBC-UHFFFAOYSA-N 1 2 416.308 4.606 50 0 HJAALO CCCCCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000020292127 558354180 /nfs/dbraw/zinc/35/41/80/558354180.db2.gz OKHXCSNDBMDGFZ-MRXNPFEDSA-N 1 2 422.356 4.859 50 0 HJAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000004341644 558425166 /nfs/dbraw/zinc/42/51/66/558425166.db2.gz LWULHXYXGNWAET-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO COc1cccc(NC(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)c1 ZINC000021114464 558431092 /nfs/dbraw/zinc/43/10/92/558431092.db2.gz MFOHYKMXVDXTDZ-UHFFFAOYSA-N 1 2 418.501 4.781 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@H](C)c2ccon2)c(F)c1 ZINC000012704009 558449036 /nfs/dbraw/zinc/44/90/36/558449036.db2.gz WXTZBKXYMZULAJ-MRXNPFEDSA-N 1 2 406.461 4.868 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@H](C)c2ccon2)c(F)c1 ZINC000012704009 558449040 /nfs/dbraw/zinc/44/90/40/558449040.db2.gz WXTZBKXYMZULAJ-MRXNPFEDSA-N 1 2 406.461 4.868 50 0 HJAALO CCCCC[N@@H+](Cc1ccc(F)cc1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000012789132 558464472 /nfs/dbraw/zinc/46/44/72/558464472.db2.gz DNTUVPFPJQMNAZ-ROUUACIJSA-N 1 2 403.542 4.522 50 0 HJAALO CCCCC[N@H+](Cc1ccc(F)cc1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000012789132 558464473 /nfs/dbraw/zinc/46/44/73/558464473.db2.gz DNTUVPFPJQMNAZ-ROUUACIJSA-N 1 2 403.542 4.522 50 0 HJAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CC(=O)Nc1ccccc1C)CC2 ZINC000012986918 558495660 /nfs/dbraw/zinc/49/56/60/558495660.db2.gz RRNDQAPYIKXULU-XMMPIXPASA-N 1 2 422.550 4.660 50 0 HJAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CC(=O)Nc1ccccc1C)CC2 ZINC000012986918 558495664 /nfs/dbraw/zinc/49/56/64/558495664.db2.gz RRNDQAPYIKXULU-XMMPIXPASA-N 1 2 422.550 4.660 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3ccccc3F)n(C)c2=S)cc1 ZINC000012990403 558496563 /nfs/dbraw/zinc/49/65/63/558496563.db2.gz QSDSMEFWVLWQIG-HXUWFJFHSA-N 1 2 412.534 4.950 50 0 HJAALO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3ccccc3F)n(C)c2=S)cc1 ZINC000012990403 558496566 /nfs/dbraw/zinc/49/65/66/558496566.db2.gz QSDSMEFWVLWQIG-HXUWFJFHSA-N 1 2 412.534 4.950 50 0 HJAALO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(-c2cccs2)oc1C ZINC000022910796 558519677 /nfs/dbraw/zinc/51/96/77/558519677.db2.gz IHZHNSYMVKTTDP-UHFFFAOYSA-N 1 2 423.460 4.980 50 0 HJAALO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(-c2cccs2)oc1C ZINC000022910796 558519680 /nfs/dbraw/zinc/51/96/80/558519680.db2.gz IHZHNSYMVKTTDP-UHFFFAOYSA-N 1 2 423.460 4.980 50 0 HJAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000013591752 558546119 /nfs/dbraw/zinc/54/61/19/558546119.db2.gz OTUKDDLHXSNQFC-NIJIEXERSA-N 1 2 422.937 4.777 50 0 HJAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000013591752 558546122 /nfs/dbraw/zinc/54/61/22/558546122.db2.gz OTUKDDLHXSNQFC-NIJIEXERSA-N 1 2 422.937 4.777 50 0 HJAALO CC(C)(C)C1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccco3)cc(C(F)(F)F)n2)[NH2+]1 ZINC000013643051 558555937 /nfs/dbraw/zinc/55/59/37/558555937.db2.gz RCXJDTCIBICGSR-HNNXBMFYSA-N 1 2 422.329 4.619 50 0 HJAALO CC(C)c1nnc(NC(=O)c2ccc(SCc3cn4ccccc4[nH+]3)cc2)s1 ZINC000024925177 558620603 /nfs/dbraw/zinc/62/06/03/558620603.db2.gz WXLJZSGALSKAIT-UHFFFAOYSA-N 1 2 409.540 4.854 50 0 HJAALO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000026115434 558655780 /nfs/dbraw/zinc/65/57/80/558655780.db2.gz KTWBTHOSMTYFFK-SANMLTNESA-N 1 2 416.521 4.863 50 0 HJAALO CC(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)cc2)[NH+]2CCOCC2)cc1 ZINC000028291000 558697107 /nfs/dbraw/zinc/69/71/07/558697107.db2.gz XHCSZVXDAPNWSG-NCMXAVOXSA-N 1 2 412.961 4.666 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCSc1ccccc1)c1ccc(Cl)cc1 ZINC000029728306 558719448 /nfs/dbraw/zinc/71/94/48/558719448.db2.gz AGHDKDMDCOJLCH-IBGZPJMESA-N 1 2 414.962 4.645 50 0 HJAALO Cc1sc(-c2ccco2)nc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000030570676 558733073 /nfs/dbraw/zinc/73/30/73/558733073.db2.gz SLAZXYBKDPXMSS-UHFFFAOYSA-N 1 2 402.545 4.652 50 0 HJAALO CCOC(=O)c1ccc(Nc2c(-c3ccc(O)c(OC)c3)[nH+]c3ccc(C)cn32)cc1 ZINC000015414436 558738982 /nfs/dbraw/zinc/73/89/82/558738982.db2.gz OJZGVMHFEARSFV-UHFFFAOYSA-N 1 2 417.465 4.944 50 0 HJAALO O=C(C[N@@H+](Cc1cc(F)cc(F)c1)C1CC1)N1CCS[C@H]1c1ccccc1Cl ZINC000035843650 558795374 /nfs/dbraw/zinc/79/53/74/558795374.db2.gz NDKTWVDWIFPSQJ-NRFANRHFSA-N 1 2 422.928 4.857 50 0 HJAALO O=C(C[N@H+](Cc1cc(F)cc(F)c1)C1CC1)N1CCS[C@H]1c1ccccc1Cl ZINC000035843650 558795376 /nfs/dbraw/zinc/79/53/76/558795376.db2.gz NDKTWVDWIFPSQJ-NRFANRHFSA-N 1 2 422.928 4.857 50 0 HJAALO O=C1C[C@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000018181125 558832804 /nfs/dbraw/zinc/83/28/04/558832804.db2.gz ATVMFVIQGSWNBZ-QFIPXVFZSA-N 1 2 414.530 4.528 50 0 HJAALO O=C1C[C@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000018181125 558832806 /nfs/dbraw/zinc/83/28/06/558832806.db2.gz ATVMFVIQGSWNBZ-QFIPXVFZSA-N 1 2 414.530 4.528 50 0 HJAALO COc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)c(OC)c1 ZINC000033020506 558836596 /nfs/dbraw/zinc/83/65/96/558836596.db2.gz WKQFVXVUJLMQKI-UHFFFAOYSA-N 1 2 415.493 4.628 50 0 HJAALO Cc1ccc(-c2ncc(C(=O)N(C)C3CCN(c4cccc[nH+]4)CC3)s2)c(C)c1 ZINC000060334906 558850325 /nfs/dbraw/zinc/85/03/25/558850325.db2.gz ULCLARVNEZPDIT-UHFFFAOYSA-N 1 2 406.555 4.563 50 0 HJAALO C[C@@H](Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccc(F)cc21)c1ccc(F)cc1 ZINC000072328516 558864037 /nfs/dbraw/zinc/86/40/37/558864037.db2.gz WAKRQLWNRBBBSE-CQSZACIVSA-N 1 2 413.493 4.875 50 0 HJAALO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000058020081 558895896 /nfs/dbraw/zinc/89/58/96/558895896.db2.gz DOIQTBXTFQGCSY-CQSZACIVSA-N 1 2 403.313 4.927 50 0 HJAALO CC(=O)c1ccc(N2CC[NH+](Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 ZINC000019531841 558912184 /nfs/dbraw/zinc/91/21/84/558912184.db2.gz WAWQVLGKERCRDM-UHFFFAOYSA-N 1 2 416.550 4.588 50 0 HJAALO Cc1ccccc1N1CC[NH+](Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1 ZINC000071928244 558914485 /nfs/dbraw/zinc/91/44/85/558914485.db2.gz QNWBRLORXHGMQP-UHFFFAOYSA-N 1 2 403.309 4.730 50 0 HJAALO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058393587 558923790 /nfs/dbraw/zinc/92/37/90/558923790.db2.gz CXNOADGZESBRKN-OALUTQOASA-N 1 2 407.272 4.878 50 0 HJAALO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058393587 558923791 /nfs/dbraw/zinc/92/37/91/558923791.db2.gz CXNOADGZESBRKN-OALUTQOASA-N 1 2 407.272 4.878 50 0 HJAALO O=C(NC1CCCCC1)c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002501 558968818 /nfs/dbraw/zinc/96/88/18/558968818.db2.gz BQVMVADINNCBPZ-UHFFFAOYSA-N 1 2 414.553 4.624 50 0 HJAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)Cc2ccon2)cc1OC ZINC000072481042 558984114 /nfs/dbraw/zinc/98/41/14/558984114.db2.gz OIZPLVLHTBXEPA-UHFFFAOYSA-N 1 2 403.482 4.847 50 0 HJAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)Cc2ccon2)cc1OC ZINC000072481042 558984115 /nfs/dbraw/zinc/98/41/15/558984115.db2.gz OIZPLVLHTBXEPA-UHFFFAOYSA-N 1 2 403.482 4.847 50 0 HJAALO CC(C)c1ccc(-c2cs/c(=N\c3ccccc3)n2CC[NH+]2CCOCC2)cc1 ZINC000016949843 559087212 /nfs/dbraw/zinc/08/72/12/559087212.db2.gz JYBQYBMVZXOMFE-IZHYLOQSSA-N 1 2 407.583 4.905 50 0 HJAALO O=C(Cc1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023310740 559114622 /nfs/dbraw/zinc/11/46/22/559114622.db2.gz MXVPRDAYOYNSHV-VWLOTQADSA-N 1 2 404.941 4.816 50 0 HJAALO COc1ccc(CNC(=S)Nc2ccc3[nH+]c(N4CCCC4)cc(C)c3c2)cc1 ZINC000004969787 559219474 /nfs/dbraw/zinc/21/94/74/559219474.db2.gz ONNLRDBARHHBDE-UHFFFAOYSA-N 1 2 406.555 4.639 50 0 HJAALO Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)N1NC=NC1=[NH+]2 ZINC000005055149 559237526 /nfs/dbraw/zinc/23/75/26/559237526.db2.gz VTYVIMHYEBTTCM-SFTDATJTSA-N 1 2 402.454 4.691 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000005296067 560562342 /nfs/dbraw/zinc/56/23/42/560562342.db2.gz VMVMWFZSOXCQRZ-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO Cc1cccc(C)c1/N=c1\scc(-c2cccs2)n1CCC[NH+]1CCOCC1 ZINC000005299009 560564040 /nfs/dbraw/zinc/56/40/40/560564040.db2.gz PHRNXSYTNBGMBL-FCQUAONHSA-N 1 2 413.612 4.850 50 0 HJAALO C[C@H](c1cccnc1)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000108144673 560897981 /nfs/dbraw/zinc/89/79/81/560897981.db2.gz VCMTWPFZVRWBHK-OXQOHEQNSA-N 1 2 420.538 4.639 50 0 HJAALO C[C@H](c1cccnc1)[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000108144673 560897983 /nfs/dbraw/zinc/89/79/83/560897983.db2.gz VCMTWPFZVRWBHK-OXQOHEQNSA-N 1 2 420.538 4.639 50 0 HJAALO CCc1cccc(C)c1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000000790153 568478820 /nfs/dbraw/zinc/47/88/20/568478820.db2.gz IGCDDTVNKYUDAA-UHFFFAOYSA-N 1 2 417.538 4.726 50 0 HJAALO Cc1ccc(CNC(=O)Cn2ccc3c2cc[nH+]c3SCc2ccc(C)cc2)o1 ZINC000033172258 568511711 /nfs/dbraw/zinc/51/17/11/568511711.db2.gz QZARLZZZWCHFPG-UHFFFAOYSA-N 1 2 405.523 4.855 50 0 HJAALO Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)nc1 ZINC000095462517 568621427 /nfs/dbraw/zinc/62/14/27/568621427.db2.gz ZMFJPWBFOUWPLM-CQSZACIVSA-N 1 2 408.329 4.567 50 0 HJAALO C[C@@H](c1cc2ccccc2o1)N(CCC[NH+]1CCOCC1)C(=S)Nc1ccccc1 ZINC000020729300 568640560 /nfs/dbraw/zinc/64/05/60/568640560.db2.gz DWCVJQUACQZHGW-IBGZPJMESA-N 1 2 423.582 4.915 50 0 HJAALO C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000095993254 568678113 /nfs/dbraw/zinc/67/81/13/568678113.db2.gz MPJGXYSYXJGQDJ-DOTOQJQBSA-N 1 2 407.464 4.537 50 0 HJAALO Cn1c(CCc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)[nH+]c2ccccc21 ZINC000021357735 568688726 /nfs/dbraw/zinc/68/87/26/568688726.db2.gz IZQRXPDRIVMWRS-UHFFFAOYSA-N 1 2 414.465 4.731 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021664258 568736575 /nfs/dbraw/zinc/73/65/75/568736575.db2.gz NXJVPSRVCGNUFT-UHFFFAOYSA-N 1 2 419.550 4.951 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4C)C3)no2)cc1 ZINC000021724803 568751181 /nfs/dbraw/zinc/75/11/81/568751181.db2.gz GGMZVKBUHRFLSN-GOSISDBHSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4C)C3)no2)cc1 ZINC000021724803 568751182 /nfs/dbraw/zinc/75/11/82/568751182.db2.gz GGMZVKBUHRFLSN-GOSISDBHSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)no2)cc1 ZINC000021724847 568751370 /nfs/dbraw/zinc/75/13/70/568751370.db2.gz QAOIVABDILCALG-SFHVURJKSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)no2)cc1 ZINC000021724847 568751372 /nfs/dbraw/zinc/75/13/72/568751372.db2.gz QAOIVABDILCALG-SFHVURJKSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)no2)cc1 ZINC000021724843 568751410 /nfs/dbraw/zinc/75/14/10/568751410.db2.gz QAOIVABDILCALG-GOSISDBHSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)no2)cc1 ZINC000021724843 568751411 /nfs/dbraw/zinc/75/14/11/568751411.db2.gz QAOIVABDILCALG-GOSISDBHSA-N 1 2 424.932 4.858 50 0 HJAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C)c(C)c4)C3)no2)cc1 ZINC000021724851 568751431 /nfs/dbraw/zinc/75/14/31/568751431.db2.gz UMRKIXOCSFJGEF-HXUWFJFHSA-N 1 2 404.514 4.513 50 0 HJAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C)c(C)c4)C3)no2)cc1 ZINC000021724851 568751432 /nfs/dbraw/zinc/75/14/32/568751432.db2.gz UMRKIXOCSFJGEF-HXUWFJFHSA-N 1 2 404.514 4.513 50 0 HJAALO COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029332597 568824601 /nfs/dbraw/zinc/82/46/01/568824601.db2.gz CWOOGNYKYOGEAX-MGPUTAFESA-N 1 2 412.921 4.540 50 0 HJAALO Cc1nc(COc2cccc(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)c2)cs1 ZINC000012559403 568857126 /nfs/dbraw/zinc/85/71/26/568857126.db2.gz GJFQTHIOOYDHNP-INIZCTEOSA-N 1 2 418.522 4.707 50 0 HJAALO C[C@H](c1nnc(SCC(=O)c2cccs2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000003379613 568892263 /nfs/dbraw/zinc/89/22/63/568892263.db2.gz CFNLLYZRIRMEKT-GFCCVEGCSA-N 1 2 406.964 4.580 50 0 HJAALO O=C(Cn1c2ccccc2[nH+]c1NCc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000008012977 568968414 /nfs/dbraw/zinc/96/84/14/568968414.db2.gz WKTWNUUBPIKVNQ-UHFFFAOYSA-N 1 2 410.399 4.704 50 0 HJAALO O=C(COc1ccc(Oc2ccccc2)cc1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000012802533 568979028 /nfs/dbraw/zinc/97/90/28/568979028.db2.gz BQZMDZLROKXCTI-UHFFFAOYSA-N 1 2 409.511 4.549 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000008162431 568979093 /nfs/dbraw/zinc/97/90/93/568979093.db2.gz PGIMBXLFXUMACA-VWLOTQADSA-N 1 2 417.578 4.935 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000008162431 568979095 /nfs/dbraw/zinc/97/90/95/568979095.db2.gz PGIMBXLFXUMACA-VWLOTQADSA-N 1 2 417.578 4.935 50 0 HJAALO CC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc2c(c1)OCO2 ZINC000012803646 568979480 /nfs/dbraw/zinc/97/94/80/568979480.db2.gz VSSVATKFPVWZFE-UHFFFAOYSA-N 1 2 405.376 4.506 50 0 HJAALO CC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc2c(c1)OCO2 ZINC000012803646 568979481 /nfs/dbraw/zinc/97/94/81/568979481.db2.gz VSSVATKFPVWZFE-UHFFFAOYSA-N 1 2 405.376 4.506 50 0 HJAALO CCC[N@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008242425 568984910 /nfs/dbraw/zinc/98/49/10/568984910.db2.gz LPMOGBWGDLAORI-MRXNPFEDSA-N 1 2 404.470 4.722 50 0 HJAALO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008242425 568984913 /nfs/dbraw/zinc/98/49/13/568984913.db2.gz LPMOGBWGDLAORI-MRXNPFEDSA-N 1 2 404.470 4.722 50 0 HJAALO CCOc1ccc(NC(=O)N2CCC(Cn3c[nH+]c4cc(C)c(C)cc43)CC2)cc1 ZINC000038536208 568998226 /nfs/dbraw/zinc/99/82/26/568998226.db2.gz PBTMAQGFJPHOAI-UHFFFAOYSA-N 1 2 406.530 4.996 50 0 HJAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc1OCC ZINC000015779274 569001672 /nfs/dbraw/zinc/00/16/72/569001672.db2.gz CXSUJKRCKKALSS-UHFFFAOYSA-N 1 2 404.514 4.576 50 0 HJAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc1OCC ZINC000015779274 569001673 /nfs/dbraw/zinc/00/16/73/569001673.db2.gz CXSUJKRCKKALSS-UHFFFAOYSA-N 1 2 404.514 4.576 50 0 HJAALO COC(=O)c1c2c(sc1NC(=O)c1cccc(Oc3ccccc3)c1)C[N@@H+](C)CC2 ZINC000015823451 569011071 /nfs/dbraw/zinc/01/10/71/569011071.db2.gz GGGDSBPHKIFLOD-UHFFFAOYSA-N 1 2 422.506 4.567 50 0 HJAALO COC(=O)c1c2c(sc1NC(=O)c1cccc(Oc3ccccc3)c1)C[N@H+](C)CC2 ZINC000015823451 569011072 /nfs/dbraw/zinc/01/10/72/569011072.db2.gz GGGDSBPHKIFLOD-UHFFFAOYSA-N 1 2 422.506 4.567 50 0 HJAALO COc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000012926848 569023846 /nfs/dbraw/zinc/02/38/46/569023846.db2.gz GGMXKENELVRDJB-INIZCTEOSA-N 1 2 402.485 4.645 50 0 HJAALO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000026475583 569032148 /nfs/dbraw/zinc/03/21/48/569032148.db2.gz VRQXLJQCENXGBT-GFCCVEGCSA-N 1 2 400.828 4.826 50 0 HJAALO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000026475583 569032149 /nfs/dbraw/zinc/03/21/49/569032149.db2.gz VRQXLJQCENXGBT-GFCCVEGCSA-N 1 2 400.828 4.826 50 0 HJAALO O=C(C[NH+](Cc1cccs1)Cc1cccs1)Nc1ccc2c(c1)OCCCO2 ZINC000016396804 569040999 /nfs/dbraw/zinc/04/09/99/569040999.db2.gz QBOPGRWPWQQWIJ-UHFFFAOYSA-N 1 2 414.552 4.612 50 0 HJAALO Cc1[nH+]c2ccc(Br)cc2c2c1C[C@@H]([C@@](C)(Cl)Br)O2 ZINC000001211864 569060318 /nfs/dbraw/zinc/06/03/18/569060318.db2.gz CVHUBQBRMHLQCZ-GXTWGEPZSA-N 1 2 405.517 4.959 50 0 biogenic HJAALO Cc1ccc2[nH]cc(C(=O)C[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000035843278 569062428 /nfs/dbraw/zinc/06/24/28/569062428.db2.gz MOUCHWNACZWJFO-UHFFFAOYSA-N 1 2 402.325 4.788 50 0 HJAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)C3CCCCC3)csc2C1 ZINC000426405131 569072714 /nfs/dbraw/zinc/07/27/14/569072714.db2.gz LMMYPJORLYSXSI-AWEZNQCLSA-N 1 2 401.576 4.610 50 0 HJAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)C3CCCCC3)csc2C1 ZINC000426405131 569072715 /nfs/dbraw/zinc/07/27/15/569072715.db2.gz LMMYPJORLYSXSI-AWEZNQCLSA-N 1 2 401.576 4.610 50 0 HJAALO O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1c[nH+]cn1C1CC1 ZINC000426716836 569073989 /nfs/dbraw/zinc/07/39/89/569073989.db2.gz HTPJWDJOQIFSTM-UHFFFAOYSA-N 1 2 416.550 4.630 50 0 HJAALO CC(C)(C)NC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000006690515 569089530 /nfs/dbraw/zinc/08/95/30/569089530.db2.gz BLKOTDKVQGXFQA-UHFFFAOYSA-N 1 2 409.361 4.958 50 0 HJAALO C[C@]1(C2CCCCC2)NC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C1=O ZINC000036392193 569167519 /nfs/dbraw/zinc/16/75/19/569167519.db2.gz WZOZTIZXYCRVAW-ZJSXRUAMSA-N 1 2 423.582 4.544 50 0 HJAALO C[C@]1(C2CCCCC2)NC(=O)N(C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C1=O ZINC000036392193 569167521 /nfs/dbraw/zinc/16/75/21/569167521.db2.gz WZOZTIZXYCRVAW-ZJSXRUAMSA-N 1 2 423.582 4.544 50 0 HJAALO C[C@H](c1nnc(SCc2noc(C(C)(C)C)n2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000036735338 569226496 /nfs/dbraw/zinc/22/64/96/569226496.db2.gz HVLVPGKXHXERST-GFCCVEGCSA-N 1 2 420.970 4.516 50 0 HJAALO O=C(c1ccc(Cl)s1)N(CCCn1cc[nH+]c1)c1nc2ccccc2s1 ZINC000007424424 569238037 /nfs/dbraw/zinc/23/80/37/569238037.db2.gz QELUPKAEIGFRQH-UHFFFAOYSA-N 1 2 402.932 4.945 50 0 HJAALO O=C(/C=C/c1cccs1)N(CCCn1cc[nH+]c1)c1nc2ccc(F)cc2s1 ZINC000007424649 569238142 /nfs/dbraw/zinc/23/81/42/569238142.db2.gz MVMNMTXHGIYCCR-FNORWQNLSA-N 1 2 412.515 4.830 50 0 HJAALO C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009883859 569251550 /nfs/dbraw/zinc/25/15/50/569251550.db2.gz OOEJNFNCFGNAQA-INIZCTEOSA-N 1 2 416.506 4.677 50 0 HJAALO C[C@H](C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)n1cc[nH+]c1-c1ccccc1 ZINC000089598235 569261026 /nfs/dbraw/zinc/26/10/26/569261026.db2.gz ZZWPSALMPPDWEQ-MRXNPFEDSA-N 1 2 405.889 4.648 50 0 HJAALO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc(Br)ccc1F ZINC000089883840 569267696 /nfs/dbraw/zinc/26/76/96/569267696.db2.gz AQPUHERNXPJPTJ-UHFFFAOYSA-N 1 2 412.262 4.756 50 0 HJAALO Cn1cc(CC(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c2ccccc21 ZINC000038671623 571060703 /nfs/dbraw/zinc/06/07/03/571060703.db2.gz YLQSSJUYJZGBMW-UHFFFAOYSA-N 1 2 400.526 4.687 50 0 HJAALO C[C@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040068791 571149031 /nfs/dbraw/zinc/14/90/31/571149031.db2.gz VKDVMAJMEYUDKE-HNNXBMFYSA-N 1 2 418.419 4.674 50 0 HJAALO Cc1cc2[nH+]cn(CCCC(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)c2cc1C ZINC000040135221 571188395 /nfs/dbraw/zinc/18/83/95/571188395.db2.gz ZCGTYLQZVFUQCT-UHFFFAOYSA-N 1 2 406.530 4.600 50 0 HJAALO O=C1[C@H](c2ccccc2)[C@H](c2cccnc2)[NH2+][C@H](c2cccnc2)[C@H]1c1ccccc1 ZINC000245261345 571221413 /nfs/dbraw/zinc/22/14/13/571221413.db2.gz QUBUVGOIRQLXMK-POTDNYQPSA-N 1 2 405.501 4.999 50 0 HJAALO CC(C)c1noc(C[NH+]2CCC3(C[C@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069655426 571236809 /nfs/dbraw/zinc/23/68/09/571236809.db2.gz LSCXVPREFFZKDB-INIZCTEOSA-N 1 2 413.909 4.666 50 0 HJAALO C[C@@H](c1nnc(SCc2cc(-c3ccco3)on2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000009365055 571251850 /nfs/dbraw/zinc/25/18/50/571251850.db2.gz XNQBUORYGGBWCD-ZDUSSCGKSA-N 1 2 413.478 4.569 50 0 HJAALO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009513033 571264346 /nfs/dbraw/zinc/26/43/46/571264346.db2.gz DMAASJPAWPXSPM-OAHLLOKOSA-N 1 2 405.889 4.511 50 0 HJAALO COc1cccc2sc(N(CCCn3cc[nH+]c3)C(=O)/C=C/c3cccs3)nc21 ZINC000010381545 571301631 /nfs/dbraw/zinc/30/16/31/571301631.db2.gz KCZQVSHPCZHNSW-CMDGGOBGSA-N 1 2 424.551 4.700 50 0 HJAALO Cc1sc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2c1-c1ccc(F)cc1 ZINC000004746988 132287061 /nfs/dbraw/zinc/28/70/61/132287061.db2.gz QYGDHFOIDQZGTP-UHFFFAOYSA-N 1 2 405.502 4.527 50 0 HJAALO Cc1cccc(-c2nc(N3CCN(C(=O)c4cccs4)CC3)c(C(C)C)c(C)[nH+]2)c1 ZINC000006706145 132313280 /nfs/dbraw/zinc/31/32/80/132313280.db2.gz SDBHNLSYCPQKFK-UHFFFAOYSA-N 1 2 420.582 4.908 50 0 HJAALO CCc1cc(N2CCCC[C@H]2C)nc(SCc2cccc(C(=O)N(C)CC)c2)[nH+]1 ZINC000006766289 132315275 /nfs/dbraw/zinc/31/52/75/132315275.db2.gz SBQCJPUDWDHMPZ-QGZVFWFLSA-N 1 2 412.603 4.802 50 0 HJAALO CCc1cc(N2CCCC[C@H]2C)nc(SCc2ccc(C(=O)NCC3CC3)cc2)[nH+]1 ZINC000006802135 132317409 /nfs/dbraw/zinc/31/74/09/132317409.db2.gz YFKXWYFDJWUELN-QGZVFWFLSA-N 1 2 424.614 4.850 50 0 HJAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)[nH+]1 ZINC000033078149 132502441 /nfs/dbraw/zinc/50/24/41/132502441.db2.gz ZWOCHDBQQFNLAN-UHFFFAOYSA-N 1 2 405.477 4.910 50 0 HJAALO CC(=O)Nc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)cc1 ZINC000032960981 519711289 /nfs/dbraw/zinc/71/12/89/519711289.db2.gz LXEKJWXFRWZEFE-UHFFFAOYSA-N 1 2 412.493 4.867 50 0 HJAALO CC(=O)Nc1ccc(C(=O)Nc2ccc(CCc3[nH]c4cc(C)ccc4[nH+]3)cc2)cc1 ZINC000032960981 519711292 /nfs/dbraw/zinc/71/12/92/519711292.db2.gz LXEKJWXFRWZEFE-UHFFFAOYSA-N 1 2 412.493 4.867 50 0 HJAALO COc1cc(Br)c(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1OC ZINC000025363720 522022822 /nfs/dbraw/zinc/02/28/22/522022822.db2.gz IZKUFMGAQONHCX-OAQYLSRUSA-N 1 2 413.315 4.741 50 0 HJAALO C[N@H+](CC1CC1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc32)oc1=S ZINC000040149242 522629000 /nfs/dbraw/zinc/62/90/00/522629000.db2.gz DPNIGEBOKRWIQR-UHFFFAOYSA-N 1 2 403.511 4.782 50 0 HJAALO C[N@@H+](CC1CC1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc32)oc1=S ZINC000040149242 522629014 /nfs/dbraw/zinc/62/90/14/522629014.db2.gz DPNIGEBOKRWIQR-UHFFFAOYSA-N 1 2 403.511 4.782 50 0 HJAALO COc1cc(OC)cc(C(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c1 ZINC000032960817 522856096 /nfs/dbraw/zinc/85/60/96/522856096.db2.gz FRVDMRIVFAVSAJ-UHFFFAOYSA-N 1 2 415.493 4.628 50 0 HJAALO COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1[nH+]ccn1C ZINC000032802524 524795063 /nfs/dbraw/zinc/79/50/63/524795063.db2.gz CTZCARFWINPMPN-VGSWGCGISA-N 1 2 406.530 4.702 50 0 HJAALO Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)[C@H](C)n2cc[nH+]c2)cc1C ZINC000044952572 525841455 /nfs/dbraw/zinc/84/14/55/525841455.db2.gz PKPSVAMFLSGJIO-FQEVSTJZSA-N 1 2 413.525 4.572 50 0 HJAALO CCCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2Cl)CC1 ZINC000006739448 534960640 /nfs/dbraw/zinc/96/06/40/534960640.db2.gz GNOCKSBOBKJMER-UHFFFAOYSA-N 1 2 414.981 4.567 50 0 HJAALO O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000034853474 557469197 /nfs/dbraw/zinc/46/91/97/557469197.db2.gz UICOBYFAZAMCDW-QHCPKHFHSA-N 1 2 411.977 4.652 50 0 HJAALO CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(O)c2)n2c3ccccc3[nH+]c2N1 ZINC000004734799 557589048 /nfs/dbraw/zinc/58/90/48/557589048.db2.gz OIASCHIURAPUGF-JOCHJYFZSA-N 1 2 414.440 4.809 50 0 HJAALO Cc1ccc([C@@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000022852360 557839777 /nfs/dbraw/zinc/83/97/77/557839777.db2.gz YVOANIYRTYKMGW-YJBOKZPZSA-N 1 2 408.527 4.886 50 0 HJAALO Cc1ccc([C@@H](C2Sc3nc(-c4ccco4)nn3C2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000022852360 557839780 /nfs/dbraw/zinc/83/97/80/557839780.db2.gz YVOANIYRTYKMGW-YJBOKZPZSA-N 1 2 408.527 4.886 50 0 HJAALO O=C(c1ccccc1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000011717597 558271731 /nfs/dbraw/zinc/27/17/31/558271731.db2.gz BJNIYUKNFMKNOY-KRWDZBQOSA-N 1 2 415.415 4.850 50 0 HJAALO O=C(c1ccccc1)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000011717597 558271735 /nfs/dbraw/zinc/27/17/35/558271735.db2.gz BJNIYUKNFMKNOY-KRWDZBQOSA-N 1 2 415.415 4.850 50 0 HJAALO CCOC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000019810210 558286668 /nfs/dbraw/zinc/28/66/68/558286668.db2.gz OAENEQKEMHFNNY-VWLOTQADSA-N 1 2 401.506 4.756 50 0 HJAALO CCOC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000019810210 558286670 /nfs/dbraw/zinc/28/66/70/558286670.db2.gz OAENEQKEMHFNNY-VWLOTQADSA-N 1 2 401.506 4.756 50 0 HJAALO CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019860398 558297721 /nfs/dbraw/zinc/29/77/21/558297721.db2.gz ONICNNOHSSSLOU-UHFFFAOYSA-N 1 2 420.534 4.735 50 0 HJAALO CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019860398 558297725 /nfs/dbraw/zinc/29/77/25/558297725.db2.gz ONICNNOHSSSLOU-UHFFFAOYSA-N 1 2 420.534 4.735 50 0 HJAALO Cc1ccc([C@H]([NH2+]Cc2nc(COc3ccc(F)cc3)no2)c2ccccc2)cc1 ZINC000012790487 558465101 /nfs/dbraw/zinc/46/51/01/558465101.db2.gz XOGDGZDAKBRDFR-XMMPIXPASA-N 1 2 403.457 4.975 50 0 HJAALO Cc1cccn2cc(COc3ccc(C(=O)NCC4(c5ccccc5)CC4)cc3)[nH+]c12 ZINC000010895434 558547687 /nfs/dbraw/zinc/54/76/87/558547687.db2.gz BASZARFAPVDCTC-UHFFFAOYSA-N 1 2 411.505 4.683 50 0 HJAALO O=C(Nc1ccccc1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013686783 558569934 /nfs/dbraw/zinc/56/99/34/558569934.db2.gz DXGOCKUYFYQXJH-UHFFFAOYSA-N 1 2 407.464 4.904 50 0 HJAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2cc(Cl)ccc12 ZINC000023883274 558580380 /nfs/dbraw/zinc/58/03/80/558580380.db2.gz HKTFMEMFOZGTTJ-CYBMUJFWSA-N 1 2 410.930 4.566 50 0 HJAALO O=c1[nH]c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2cc(Cl)ccc12 ZINC000023883274 558580383 /nfs/dbraw/zinc/58/03/83/558580383.db2.gz HKTFMEMFOZGTTJ-CYBMUJFWSA-N 1 2 410.930 4.566 50 0 HJAALO O=c1[nH]c(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12 ZINC000023883182 558580451 /nfs/dbraw/zinc/58/04/51/558580451.db2.gz ADDFQFSAAUPMPW-ZDUSSCGKSA-N 1 2 410.930 4.566 50 0 HJAALO O=c1[nH]c(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12 ZINC000023883182 558580454 /nfs/dbraw/zinc/58/04/54/558580454.db2.gz ADDFQFSAAUPMPW-ZDUSSCGKSA-N 1 2 410.930 4.566 50 0 HJAALO O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050701 558586947 /nfs/dbraw/zinc/58/69/47/558586947.db2.gz MIVUUSHPUKWFFM-UHFFFAOYSA-N 1 2 404.373 4.633 50 0 HJAALO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000014022251 558614335 /nfs/dbraw/zinc/61/43/35/558614335.db2.gz DKUIWUUAZGXADF-UHFFFAOYSA-N 1 2 410.521 4.534 50 0 HJAALO C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000014022251 558614342 /nfs/dbraw/zinc/61/43/42/558614342.db2.gz DKUIWUUAZGXADF-UHFFFAOYSA-N 1 2 410.521 4.534 50 0 HJAALO CCc1[nH+]c(SCC(=O)N[C@H](C)c2ccco2)nc(N)c1-c1ccc(Cl)cc1 ZINC000025589105 558645124 /nfs/dbraw/zinc/64/51/24/558645124.db2.gz UVPWKTYUQNOEKT-GFCCVEGCSA-N 1 2 416.934 4.504 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)[C@@H](C)c2ccon2)cc1 ZINC000014976911 558689518 /nfs/dbraw/zinc/68/95/18/558689518.db2.gz QEWGWHQALATUTH-INIZCTEOSA-N 1 2 406.461 4.868 50 0 HJAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)[C@@H](C)c2ccon2)cc1 ZINC000014976911 558689520 /nfs/dbraw/zinc/68/95/20/558689520.db2.gz QEWGWHQALATUTH-INIZCTEOSA-N 1 2 406.461 4.868 50 0 HJAALO COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c2[nH+]ccn2C)c1 ZINC000029729882 558719497 /nfs/dbraw/zinc/71/94/97/558719497.db2.gz IDQZIFQJSMUCNN-HTAPYJJXSA-N 1 2 406.530 4.702 50 0 HJAALO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000029870125 558722838 /nfs/dbraw/zinc/72/28/38/558722838.db2.gz NYKMJXDJDXBTPV-JOCHJYFZSA-N 1 2 420.484 4.607 50 0 HJAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)Nc3cccc(F)c3C)cc2)[nH+]1 ZINC000035598148 558793909 /nfs/dbraw/zinc/79/39/09/558793909.db2.gz PYGKJSCITFAQKA-UHFFFAOYSA-N 1 2 417.448 4.806 50 0 HJAALO Cc1c2cc(Br)ccc2oc1C(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000032978584 558803528 /nfs/dbraw/zinc/80/35/28/558803528.db2.gz CSMFCIGTVNMXIG-UHFFFAOYSA-N 1 2 420.332 4.808 50 0 HJAALO C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Cl)cc1Cl ZINC000004607387 558847760 /nfs/dbraw/zinc/84/77/60/558847760.db2.gz DFMDVBSSKBVNNF-LJQANCHMSA-N 1 2 413.345 4.839 50 0 HJAALO C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Cl)cc1Cl ZINC000004607387 558847762 /nfs/dbraw/zinc/84/77/62/558847762.db2.gz DFMDVBSSKBVNNF-LJQANCHMSA-N 1 2 413.345 4.839 50 0 HJAALO Cc1sc2ncnc(N3CC[NH+](Cc4ccc(Cl)cc4Cl)CC3)c2c1C ZINC000055512685 558881784 /nfs/dbraw/zinc/88/17/84/558881784.db2.gz SDHRSIQEPMCVOS-UHFFFAOYSA-N 1 2 407.370 4.937 50 0 HJAALO O=C(Nc1ccc2c(c1)OCO2)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000033126383 558884048 /nfs/dbraw/zinc/88/40/48/558884048.db2.gz LNCXBVUKMHMFNP-UHFFFAOYSA-N 1 2 400.438 4.721 50 0 HJAALO COc1ccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)cc1Cl ZINC000064471851 558963620 /nfs/dbraw/zinc/96/36/20/558963620.db2.gz AVNKGBRINWZXQP-UHFFFAOYSA-N 1 2 413.930 4.829 50 0 HJAALO COc1ccc(Cl)cc1Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccccc21 ZINC000064471847 558963629 /nfs/dbraw/zinc/96/36/29/558963629.db2.gz HPHDJRRXCUUADM-UHFFFAOYSA-N 1 2 413.930 4.829 50 0 HJAALO Cc1ccc2[nH]c(N3CCC(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)CC3)[nH+]c2c1 ZINC000033269069 558993718 /nfs/dbraw/zinc/99/37/18/558993718.db2.gz PFJJBPIHQMCGKZ-ZFGQVMFLSA-N 1 2 420.601 4.809 50 0 HJAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)CC3)[nH]c2c1 ZINC000033269069 558993720 /nfs/dbraw/zinc/99/37/20/558993720.db2.gz PFJJBPIHQMCGKZ-ZFGQVMFLSA-N 1 2 420.601 4.809 50 0 HJAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCC(Cc3ccccc3)CC1)S2 ZINC000023156782 559022723 /nfs/dbraw/zinc/02/27/23/559022723.db2.gz ZDIXKPQMSXJPMV-NRFANRHFSA-N 1 2 418.566 4.849 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000033275358 559034982 /nfs/dbraw/zinc/03/49/82/559034982.db2.gz SIKISAMBSFMMNJ-UHFFFAOYSA-N 1 2 423.513 4.781 50 0 HJAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cc(Cl)ccc4C)CC3)no2)c1 ZINC000033327686 559060473 /nfs/dbraw/zinc/06/04/73/559060473.db2.gz BHJMWYFFPZKRFQ-UHFFFAOYSA-N 1 2 424.932 4.858 50 0 HJAALO O=C(Cc1cccs1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320275 559125932 /nfs/dbraw/zinc/12/59/32/559125932.db2.gz GITMDMGLPYUFFJ-HSZRJFAPSA-N 1 2 410.970 4.878 50 0 HJAALO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000248107813 559147190 /nfs/dbraw/zinc/14/71/90/559147190.db2.gz JILLUIZZNALCHL-SPLOXXLWSA-N 1 2 411.596 4.887 50 0 HJAALO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000248107813 559147192 /nfs/dbraw/zinc/14/71/92/559147192.db2.gz JILLUIZZNALCHL-SPLOXXLWSA-N 1 2 411.596 4.887 50 0 HJAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000024118809 559245463 /nfs/dbraw/zinc/24/54/63/559245463.db2.gz DFUMVXSRLYVPCL-UHFFFAOYSA-N 1 2 410.901 4.567 50 0 HJAALO C[C@H](c1nnc(SCC(=O)C(C)(C)C)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000005280630 560562560 /nfs/dbraw/zinc/56/25/60/560562560.db2.gz XGKFVSNPLDYGQT-OAHLLOKOSA-N 1 2 404.555 4.661 50 0 HJAALO O=[N+]([O-])c1cc([N+](=O)[O-])c(NNc2cc[nH+]c3cc(Cl)ccc23)c2ncccc12 ZINC000005338197 560567034 /nfs/dbraw/zinc/56/70/34/560567034.db2.gz BHHILJIYEXZHTB-UHFFFAOYSA-N 1 2 410.777 4.692 50 0 HJAALO Cc1cc(Cl)ccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000005554488 560608946 /nfs/dbraw/zinc/60/89/46/560608946.db2.gz FCYJLGXYMBFNKT-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO C[C@@H]1C[C@@H](C)C[NH+]([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 ZINC000105863155 560877889 /nfs/dbraw/zinc/87/78/89/560877889.db2.gz VQMBSNMKVCWORP-XJKCOSOUSA-N 1 2 414.556 4.885 50 0 HJAALO Cc1cc(O[C@@H](C)C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1C(C)C ZINC000048332325 568439998 /nfs/dbraw/zinc/43/99/98/568439998.db2.gz IEPTUKGOJBDBEV-JTSKRJEESA-N 1 2 409.505 4.664 50 0 HJAALO O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1C[NH+]1CCCCC1 ZINC000211077590 568454438 /nfs/dbraw/zinc/45/44/38/568454438.db2.gz DUNFUOMDAOFZIL-QNGOZBTKSA-N 1 2 408.523 4.745 50 0 HJAALO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000012300401 568464459 /nfs/dbraw/zinc/46/44/59/568464459.db2.gz WOBCKBPSHZXGRK-QGZVFWFLSA-N 1 2 418.472 4.813 50 0 HJAALO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000012300401 568464460 /nfs/dbraw/zinc/46/44/60/568464460.db2.gz WOBCKBPSHZXGRK-QGZVFWFLSA-N 1 2 418.472 4.813 50 0 HJAALO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccs2)cc1Cl ZINC000020107650 568588212 /nfs/dbraw/zinc/58/82/12/568588212.db2.gz YWVZFWMCICLRGU-UHFFFAOYSA-N 1 2 424.035 4.631 50 0 HJAALO CCCOc1c(Cl)cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1OC ZINC000096008819 568683499 /nfs/dbraw/zinc/68/34/99/568683499.db2.gz RKHTVYDCRXCESV-UHFFFAOYSA-N 1 2 419.953 4.667 50 0 HJAALO COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000021264280 568685694 /nfs/dbraw/zinc/68/56/94/568685694.db2.gz ZAKNTZHNEPAXSK-UHFFFAOYSA-N 1 2 412.555 4.612 50 0 HJAALO COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000021264280 568685695 /nfs/dbraw/zinc/68/56/95/568685695.db2.gz ZAKNTZHNEPAXSK-UHFFFAOYSA-N 1 2 412.555 4.612 50 0 HJAALO Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)c(C)c1 ZINC000021357075 568688205 /nfs/dbraw/zinc/68/82/05/568688205.db2.gz FBKZTDNVQFMWJZ-UHFFFAOYSA-N 1 2 419.550 4.776 50 0 HJAALO CC[C@H](C)c1nc(N2CCN(C(=O)CC(C)C)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317473 568726793 /nfs/dbraw/zinc/72/67/93/568726793.db2.gz WAWFIQKQSLYKDH-FQEVSTJZSA-N 1 2 422.617 4.892 50 0 HJAALO COc1cc(Cl)c(NC(=O)CCc2ccc3[nH+]c(C(C)C)[nH]c3c2)c(OC)c1 ZINC000096363664 568739487 /nfs/dbraw/zinc/73/94/87/568739487.db2.gz RFUFOXUTHWVIRP-UHFFFAOYSA-N 1 2 401.894 4.928 50 0 HJAALO COc1cc(Cl)c(NC(=O)CCc2ccc3[nH]c(C(C)C)[nH+]c3c2)c(OC)c1 ZINC000096363664 568739489 /nfs/dbraw/zinc/73/94/89/568739489.db2.gz RFUFOXUTHWVIRP-UHFFFAOYSA-N 1 2 401.894 4.928 50 0 HJAALO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012541210 568848345 /nfs/dbraw/zinc/84/83/45/568848345.db2.gz VFBGBPQESIHMFG-XIKOKIGWSA-N 1 2 422.287 4.539 50 0 HJAALO CC[N@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccccc1 ZINC000003044784 568848585 /nfs/dbraw/zinc/84/85/85/568848585.db2.gz KVUHGDJIHIMFBG-UHFFFAOYSA-N 1 2 410.521 4.943 50 0 HJAALO CC[N@@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccccc1 ZINC000003044784 568848586 /nfs/dbraw/zinc/84/85/86/568848586.db2.gz KVUHGDJIHIMFBG-UHFFFAOYSA-N 1 2 410.521 4.943 50 0 HJAALO COc1ccc([C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c2[nH+]ccn2C)cc1 ZINC000012547728 568851108 /nfs/dbraw/zinc/85/11/08/568851108.db2.gz IEXZRDGHJZSDEB-LEWJYISDSA-N 1 2 411.933 4.728 50 0 HJAALO COc1ccc([C@@H](NC(=O)CCc2ccc(-c3ccccc3)o2)c2[nH+]ccn2C)cc1 ZINC000012549992 568852352 /nfs/dbraw/zinc/85/23/52/568852352.db2.gz IQKQSCHCVLBFGD-XMMPIXPASA-N 1 2 415.493 4.527 50 0 HJAALO COC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658696 568866822 /nfs/dbraw/zinc/86/68/22/568866822.db2.gz UBYMGLYLFMEOSF-CQSZACIVSA-N 1 2 407.470 4.880 50 0 HJAALO COc1ccccc1[C@@H](NC(=O)c1oc2ccc(Cl)cc2c1C)c1[nH+]ccn1C ZINC000012602093 568870203 /nfs/dbraw/zinc/87/02/03/568870203.db2.gz PSAFWWYUCPAMES-LJQANCHMSA-N 1 2 409.873 4.656 50 0 HJAALO O=C(CCc1c[nH]c2ccccc12)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003538480 568913853 /nfs/dbraw/zinc/91/38/53/568913853.db2.gz NFOJHLHNEUBYEE-UHFFFAOYSA-N 1 2 416.550 4.754 50 0 HJAALO O=C(CCc1c[nH]c2ccccc12)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003538480 568913854 /nfs/dbraw/zinc/91/38/54/568913854.db2.gz NFOJHLHNEUBYEE-UHFFFAOYSA-N 1 2 416.550 4.754 50 0 HJAALO O=S(=O)(c1ccc(Cl)c2ncccc12)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000084535756 568950357 /nfs/dbraw/zinc/95/03/57/568950357.db2.gz YXSGWMODQHMGDY-UHFFFAOYSA-N 1 2 409.898 4.679 50 0 HJAALO COc1ccc(C[N@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C2CC2)cc1 ZINC000008148355 568977320 /nfs/dbraw/zinc/97/73/20/568977320.db2.gz DKOXHDBRXFDFOW-UHFFFAOYSA-N 1 2 414.962 4.902 50 0 HJAALO COc1ccc(C[N@@H+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C2CC2)cc1 ZINC000008148355 568977321 /nfs/dbraw/zinc/97/73/21/568977321.db2.gz DKOXHDBRXFDFOW-UHFFFAOYSA-N 1 2 414.962 4.902 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000015870458 569017257 /nfs/dbraw/zinc/01/72/57/569017257.db2.gz PRIYOEDFMAXCCA-UHFFFAOYSA-N 1 2 405.523 4.642 50 0 HJAALO CCn1c2ccccc2[nH+]c1CCc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000015870449 569017304 /nfs/dbraw/zinc/01/73/04/569017304.db2.gz XHRAVCIJAUQONH-UHFFFAOYSA-N 1 2 423.513 4.781 50 0 HJAALO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012888414 569019730 /nfs/dbraw/zinc/01/97/30/569019730.db2.gz KNMFLNVAULQXCS-LBPRGKRZSA-N 1 2 404.333 4.518 50 0 HJAALO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012888414 569019729 /nfs/dbraw/zinc/01/97/29/569019729.db2.gz KNMFLNVAULQXCS-LBPRGKRZSA-N 1 2 404.333 4.518 50 0 HJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(OC(F)F)cc1 ZINC000012921189 569023257 /nfs/dbraw/zinc/02/32/57/569023257.db2.gz FBHQXYWRFYGQQT-IBGZPJMESA-N 1 2 420.506 4.997 50 0 HJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(OC(F)F)cc1 ZINC000012921189 569023258 /nfs/dbraw/zinc/02/32/58/569023258.db2.gz FBHQXYWRFYGQQT-IBGZPJMESA-N 1 2 420.506 4.997 50 0 HJAALO CC(C)c1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404106 569035702 /nfs/dbraw/zinc/03/57/02/569035702.db2.gz QGRAWPKNKHRFHO-UHFFFAOYSA-N 1 2 400.526 4.724 50 0 HJAALO CC(C)c1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404106 569035703 /nfs/dbraw/zinc/03/57/03/569035703.db2.gz QGRAWPKNKHRFHO-UHFFFAOYSA-N 1 2 400.526 4.724 50 0 HJAALO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239274870 569054054 /nfs/dbraw/zinc/05/40/54/569054054.db2.gz AUWGLUHSDQKTAB-APWZRJJASA-N 1 2 419.550 5.447 50 0 HJAALO C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239274870 569054055 /nfs/dbraw/zinc/05/40/55/569054055.db2.gz AUWGLUHSDQKTAB-APWZRJJASA-N 1 2 419.550 5.447 50 0 HJAALO Cc1[nH+]c2ccc(Br)cc2c2c1C[C@H]([C@](C)(Cl)Br)O2 ZINC000003983858 569060787 /nfs/dbraw/zinc/06/07/87/569060787.db2.gz CVHUBQBRMHLQCZ-OCCSQVGLSA-N 1 2 405.517 4.959 50 0 biogenic HJAALO Cc1ccc(NC(=O)C[NH+](CCC(C)C)CC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000006551088 569065390 /nfs/dbraw/zinc/06/53/90/569065390.db2.gz VREFOQNXADQGNO-UHFFFAOYSA-N 1 2 409.574 4.846 50 0 HJAALO CC(C)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(=O)c1cccc(F)c1 ZINC000006689210 569089473 /nfs/dbraw/zinc/08/94/73/569089473.db2.gz IBDDUGMGNMIVHO-UHFFFAOYSA-N 1 2 403.860 4.914 50 0 HJAALO CCNC(=O)c1ccc(CSc2nc(N(C)Cc3ccccc3)c(C)c(C)[nH+]2)cc1 ZINC000006695196 569091530 /nfs/dbraw/zinc/09/15/30/569091530.db2.gz ZGRZJTUHNPHALA-UHFFFAOYSA-N 1 2 420.582 4.772 50 0 HJAALO CCCN(C)c1cc(C(C)C)[nH+]c(SCc2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000006695753 569091743 /nfs/dbraw/zinc/09/17/43/569091743.db2.gz XIFHJBZHEJRKEY-UHFFFAOYSA-N 1 2 412.603 4.878 50 0 HJAALO CC[NH+]1CCN(C(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCCC2)O4)CC1 ZINC000006793808 569125522 /nfs/dbraw/zinc/12/55/22/569125522.db2.gz DMHJGGVFINBEMY-UHFFFAOYSA-N 1 2 424.541 4.577 50 0 biogenic HJAALO Cc1ccc(CC(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3s2)c(C)c1 ZINC000007424446 569237955 /nfs/dbraw/zinc/23/79/55/569237955.db2.gz WMTFBRADGPVKMV-UHFFFAOYSA-N 1 2 404.539 4.776 50 0 HJAALO O=C(c1cccs1)N(CCCn1cc[nH+]c1)c1nc2ccc(Cl)cc2s1 ZINC000007424627 569238158 /nfs/dbraw/zinc/23/81/58/569238158.db2.gz CSTKHAIVSZHZNW-UHFFFAOYSA-N 1 2 402.932 4.945 50 0 HJAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037200221 569240144 /nfs/dbraw/zinc/24/01/44/569240144.db2.gz XEFQOYXVOCEESW-HOTGVXAUSA-N 1 2 411.596 4.683 50 0 HJAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037200221 569240145 /nfs/dbraw/zinc/24/01/45/569240145.db2.gz XEFQOYXVOCEESW-HOTGVXAUSA-N 1 2 411.596 4.683 50 0 HJAALO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2csc(Br)c2)CC1 ZINC000170593016 569241050 /nfs/dbraw/zinc/24/10/50/569241050.db2.gz KDGRKVOSIVTMIZ-UHFFFAOYSA-N 1 2 413.768 4.512 50 0 HJAALO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC000170593016 569241052 /nfs/dbraw/zinc/24/10/52/569241052.db2.gz KDGRKVOSIVTMIZ-UHFFFAOYSA-N 1 2 413.768 4.512 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000007717466 569301999 /nfs/dbraw/zinc/30/19/99/569301999.db2.gz YJCQYBUTPCGMLQ-SFHVURJKSA-N 1 2 409.313 4.786 50 0 HJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000007717466 569302001 /nfs/dbraw/zinc/30/20/01/569302001.db2.gz YJCQYBUTPCGMLQ-SFHVURJKSA-N 1 2 409.313 4.786 50 0 HJAALO COc1cc(OC)c(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000037522441 569303261 /nfs/dbraw/zinc/30/32/61/569303261.db2.gz WZDQDYKMPVIABJ-DEOSSOPVSA-N 1 2 410.489 4.648 50 0 HJAALO COc1cc(OC)c(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000037522441 569303263 /nfs/dbraw/zinc/30/32/63/569303263.db2.gz WZDQDYKMPVIABJ-DEOSSOPVSA-N 1 2 410.489 4.648 50 0 HJAALO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000195547072 569312091 /nfs/dbraw/zinc/31/20/91/569312091.db2.gz LPMKVJILDYTVAH-ULQDDVLXSA-N 1 2 409.555 4.708 50 0 HJAALO CC(C)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000002442969 569400908 /nfs/dbraw/zinc/40/09/08/569400908.db2.gz FSWFCIKXTAJJMG-UHFFFAOYSA-N 1 2 417.538 4.729 50 0 HJAALO COc1c(Br)c(C)sc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078939017 569421834 /nfs/dbraw/zinc/42/18/34/569421834.db2.gz OCGZHBYUUPBUHB-NSHDSACASA-N 1 2 420.332 4.504 50 0 HJAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1cccc(Cl)c1)N1CCOCC1 ZINC000067288373 571066148 /nfs/dbraw/zinc/06/61/48/571066148.db2.gz TZWPEMFEHQCQFA-UHFFFAOYSA-N 1 2 416.308 4.626 50 0 HJAALO O=C(CCC(=O)c1ccc(Cl)s1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000040050506 571144041 /nfs/dbraw/zinc/14/40/41/571144041.db2.gz VMWRPMRZQFACOD-UHFFFAOYSA-N 1 2 411.980 4.836 50 0 HJAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000040115032 571172742 /nfs/dbraw/zinc/17/27/42/571172742.db2.gz XOIKZBZXPWWGIN-UHFFFAOYSA-N 1 2 414.296 4.535 50 0 HJAALO CC(C)(C)c1ccc(OCCCC(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000009112705 571223448 /nfs/dbraw/zinc/22/34/48/571223448.db2.gz DWHZLQRSPKIOMA-JOCHJYFZSA-N 1 2 405.542 4.966 50 0 HJAALO CC(C)(C)c1ccc(OCCCC(=O)N[C@@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000009114832 571224145 /nfs/dbraw/zinc/22/41/45/571224145.db2.gz DWHZLQRSPKIOMA-QFIPXVFZSA-N 1 2 405.542 4.966 50 0 HJAALO CCOc1ccc2nc(N(CCCn3cc[nH+]c3)C(=O)c3ccc(F)cc3)sc2c1 ZINC000010381583 571301636 /nfs/dbraw/zinc/30/16/36/571301636.db2.gz CPYJCIXGDQCSNL-UHFFFAOYSA-N 1 2 424.501 4.768 50 0 HJAALO Cc1ccc(C)c2sc(N(CCCn3cc[nH+]c3)C(=O)Cc3ccc(F)cc3)nc21 ZINC000010381609 571301645 /nfs/dbraw/zinc/30/16/45/571301645.db2.gz IFJLRQGUXLASBJ-UHFFFAOYSA-N 1 2 422.529 4.915 50 0 HJAALO CCc1c(C)[nH+]c(-c2cccc(C)c2)nc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000006740302 132314416 /nfs/dbraw/zinc/31/44/16/132314416.db2.gz XCDZLAXGUYSSJO-UHFFFAOYSA-N 1 2 420.601 4.942 50 0 HJAALO CCc1cc(N2CCCC[C@@H]2C)nc(SCc2cccc(C(=O)N(C)CC)c2)[nH+]1 ZINC000006766288 132315332 /nfs/dbraw/zinc/31/53/32/132315332.db2.gz SBQCJPUDWDHMPZ-KRWDZBQOSA-N 1 2 412.603 4.802 50 0 HJAALO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=[NH+]3)cc1 ZINC000002247552 557331014 /nfs/dbraw/zinc/33/10/14/557331014.db2.gz GWPOHHYTADEDPK-DHIUTWEWSA-N 1 2 414.415 4.769 50 0 HJAALO Cc1ccccc1Oc1nc(N2CCCC2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034755516 557458167 /nfs/dbraw/zinc/45/81/67/557458167.db2.gz JJVIRFFPZVJQKQ-UHFFFAOYSA-N 1 2 418.516 4.875 50 0 HJAALO Cc1ccccc1Oc1nc(N2CCCC2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034755516 557458170 /nfs/dbraw/zinc/45/81/70/557458170.db2.gz JJVIRFFPZVJQKQ-UHFFFAOYSA-N 1 2 418.516 4.875 50 0 HJAALO CC(C)CCNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906554 557473494 /nfs/dbraw/zinc/47/34/94/557473494.db2.gz IVHILDDYXSTCNI-NRFANRHFSA-N 1 2 410.606 4.995 50 0 HJAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000034906814 557474235 /nfs/dbraw/zinc/47/42/35/557474235.db2.gz WBGQFQXCNBWRDC-FQEVSTJZSA-N 1 2 422.548 4.754 50 0 HJAALO Fc1cccc(Cl)c1C[N@@H+]1CCCN(C(=S)NC2CCCCCCC2)CC1 ZINC000004299388 557537493 /nfs/dbraw/zinc/53/74/93/557537493.db2.gz IDGZXMBNUIFSEO-UHFFFAOYSA-N 1 2 412.018 4.974 50 0 HJAALO Fc1cccc(Cl)c1C[N@H+]1CCCN(C(=S)NC2CCCCCCC2)CC1 ZINC000004299388 557537496 /nfs/dbraw/zinc/53/74/96/557537496.db2.gz IDGZXMBNUIFSEO-UHFFFAOYSA-N 1 2 412.018 4.974 50 0 HJAALO C[N@H+](CC[NH2+]Cc1cn(-c2ccc(C(=O)[O-])s2)c2ccccc12)Cc1ccccc1 ZINC000022795215 557822562 /nfs/dbraw/zinc/82/25/62/557822562.db2.gz PQLWLOCDRJMEGC-UHFFFAOYSA-N 1 2 419.550 4.612 50 0 HJAALO C[N@@H+](CC[NH2+]Cc1cn(-c2ccc(C(=O)[O-])s2)c2ccccc12)Cc1ccccc1 ZINC000022795215 557822563 /nfs/dbraw/zinc/82/25/63/557822563.db2.gz PQLWLOCDRJMEGC-UHFFFAOYSA-N 1 2 419.550 4.612 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[N@@H+]1CCc3ccccc3C1)S2 ZINC000022855071 557842202 /nfs/dbraw/zinc/84/22/02/557842202.db2.gz FXLQCVWIVIACAT-HXUWFJFHSA-N 1 2 404.539 4.515 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[N@H+]1CCc3ccccc3C1)S2 ZINC000022855071 557842204 /nfs/dbraw/zinc/84/22/04/557842204.db2.gz FXLQCVWIVIACAT-HXUWFJFHSA-N 1 2 404.539 4.515 50 0 HJAALO CCOc1ccccc1-c1nc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)c(C)o1 ZINC000019739976 558260969 /nfs/dbraw/zinc/26/09/69/558260969.db2.gz VKLCYIQQGCYZCK-UHFFFAOYSA-N 1 2 419.525 4.574 50 0 HJAALO Cc1[nH+]c2ccccn2c1CN(C)C(=O)c1csc2nc(-c3ccccc3C)cn12 ZINC000011934905 558299143 /nfs/dbraw/zinc/29/91/43/558299143.db2.gz HARGTYAXRJBCTL-UHFFFAOYSA-N 1 2 415.522 4.600 50 0 HJAALO Cc1nc(C[N@@H+](C)Cc2ccc(OCCN(C)C(=O)c3ccc(C)cc3)cc2)cs1 ZINC000020256783 558352200 /nfs/dbraw/zinc/35/22/00/558352200.db2.gz LGTYOPQDJQPVIJ-UHFFFAOYSA-N 1 2 423.582 4.543 50 0 HJAALO Cc1nc(C[N@H+](C)Cc2ccc(OCCN(C)C(=O)c3ccc(C)cc3)cc2)cs1 ZINC000020256783 558352203 /nfs/dbraw/zinc/35/22/03/558352203.db2.gz LGTYOPQDJQPVIJ-UHFFFAOYSA-N 1 2 423.582 4.543 50 0 HJAALO CC(C)(C)c1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000020468171 558374238 /nfs/dbraw/zinc/37/42/38/558374238.db2.gz URVZUFBDFGLQCJ-UHFFFAOYSA-N 1 2 422.594 4.644 50 0 HJAALO Cc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000004341695 558425279 /nfs/dbraw/zinc/42/52/79/558425279.db2.gz KFBXATCDVKIFNK-UHFFFAOYSA-N 1 2 409.902 4.508 50 0 HJAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3ccccc3F)n(C)c2=S)cc1 ZINC000012990400 558496627 /nfs/dbraw/zinc/49/66/27/558496627.db2.gz QSDSMEFWVLWQIG-FQEVSTJZSA-N 1 2 412.534 4.950 50 0 HJAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3ccccc3F)n(C)c2=S)cc1 ZINC000012990400 558496629 /nfs/dbraw/zinc/49/66/29/558496629.db2.gz QSDSMEFWVLWQIG-FQEVSTJZSA-N 1 2 412.534 4.950 50 0 HJAALO Cc1nc2sc3c(c2c(NC[C@@H](c2c(F)cccc2Cl)[NH+](C)C)n1)CCC3 ZINC000013040022 558506452 /nfs/dbraw/zinc/50/64/52/558506452.db2.gz RWGWHSBAODFTEA-HNNXBMFYSA-N 1 2 404.942 4.996 50 0 HJAALO O=S(=O)(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000023039902 558531180 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O=C1[C@H](c2ccccc2)[C@H](c2cccs2)[NH2+][C@@H](c2cccs2)[C@H]1c1ccccc1 ZINC000239415292 569054353 /nfs/dbraw/zinc/05/43/53/569054353.db2.gz UCZYTGZNLXWZAW-LWSSLDFYSA-N 1 2 415.583 6.332 50 0 HJAALO C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[N@H+](C)Cc1ccco1 ZINC000006590711 569068667 /nfs/dbraw/zinc/06/86/67/569068667.db2.gz HYOALTIIPLKNOY-MRXNPFEDSA-N 1 2 405.523 4.939 50 0 HJAALO C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[N@@H+](C)Cc1ccco1 ZINC000006590711 569068668 /nfs/dbraw/zinc/06/86/68/569068668.db2.gz HYOALTIIPLKNOY-MRXNPFEDSA-N 1 2 405.523 4.939 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690049 569070660 /nfs/dbraw/zinc/07/06/60/569070660.db2.gz FBNLDIQREBTOAP-MLGOLLRUSA-N 1 2 424.492 4.899 50 0 HJAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690049 569070661 /nfs/dbraw/zinc/07/06/61/569070661.db2.gz FBNLDIQREBTOAP-MLGOLLRUSA-N 1 2 424.492 4.899 50 0 HJAALO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC3CC3)co2)[C@@H](C)c2ccccc2)cc1 ZINC000036063886 569085598 /nfs/dbraw/zinc/08/55/98/569085598.db2.gz KHJVRASGGCZZAM-SFHVURJKSA-N 1 2 419.525 4.729 50 0 HJAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC3CC3)co2)[C@@H](C)c2ccccc2)cc1 ZINC000036063886 569085599 /nfs/dbraw/zinc/08/55/99/569085599.db2.gz KHJVRASGGCZZAM-SFHVURJKSA-N 1 2 419.525 4.729 50 0 HJAALO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)cc1 ZINC000036063887 569085611 /nfs/dbraw/zinc/08/56/11/569085611.db2.gz KHJVRASGGCZZAM-GOSISDBHSA-N 1 2 419.525 4.729 50 0 HJAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)cc1 ZINC000036063887 569085612 /nfs/dbraw/zinc/08/56/12/569085612.db2.gz KHJVRASGGCZZAM-GOSISDBHSA-N 1 2 419.525 4.729 50 0 HJAALO Cc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NCC(C)C)o2)[nH+]1 ZINC000006775307 569118957 /nfs/dbraw/zinc/11/89/57/569118957.db2.gz PQPODRJXWUVBIZ-UHFFFAOYSA-N 1 2 416.591 4.825 50 0 HJAALO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC=C(c4ccccc4)CC3)cs2)cc1 ZINC000007650969 569298898 /nfs/dbraw/zinc/29/88/98/569298898.db2.gz SMZIHNCWPLCYST-UHFFFAOYSA-N 1 2 403.551 4.922 50 0 HJAALO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC=C(c4ccccc4)CC3)cs2)cc1 ZINC000007650969 569298899 /nfs/dbraw/zinc/29/88/99/569298899.db2.gz SMZIHNCWPLCYST-UHFFFAOYSA-N 1 2 403.551 4.922 50 0 HJAALO Cc1cc(C)c(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c(Cl)c1 ZINC000002447117 569401449 /nfs/dbraw/zinc/40/14/49/569401449.db2.gz MAUONAXXHDFFFH-UHFFFAOYSA-N 1 2 423.929 4.817 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000002453186 569405481 /nfs/dbraw/zinc/40/54/81/569405481.db2.gz AXOPYTMORSEAHI-UHFFFAOYSA-N 1 2 417.538 4.978 50 0 HJAALO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013038658 569407705 /nfs/dbraw/zinc/40/77/05/569407705.db2.gz SIHZNBQLTNQMRU-CQSZACIVSA-N 1 2 411.855 4.508 50 0 HJAALO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000040103758 571164505 /nfs/dbraw/zinc/16/45/05/571164505.db2.gz ZYWVAVRMWYSRFM-SFHVURJKSA-N 1 2 412.965 4.851 50 0 HJAALO Cc1ccn2cc(CNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3C)[nH+]c2c1 ZINC000040157622 571204145 /nfs/dbraw/zinc/20/41/45/571204145.db2.gz UWHPTEDXFOEQRW-UHFFFAOYSA-N 1 2 421.504 4.734 50 0 HJAALO Cc1cc(Cl)ccc1NC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000009345191 571250048 /nfs/dbraw/zinc/25/00/48/571250048.db2.gz FKQQDXLBDXRCMH-UHFFFAOYSA-N 1 2 423.929 4.567 50 0 HJAALO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccccc1Br ZINC000010139858 571295420 /nfs/dbraw/zinc/29/54/20/571295420.db2.gz DTAKYFQGAQFJMR-UHFFFAOYSA-N 1 2 412.331 4.749 50 0 HJAALO CCCCNC(=O)CCC(=O)Nc1ccc2[nH+]c(N3C[C@@H](C)C[C@H](C)C3)cc(C)c2c1 ZINC000004881834 132291571 /nfs/dbraw/zinc/29/15/71/132291571.db2.gz NFKCGFVYAWBSOT-ROUUACIJSA-N 1 2 424.589 4.661 50 0 HJAALO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)nc2)cc1 ZINC000034681499 132794754 /nfs/dbraw/zinc/79/47/54/132794754.db2.gz SZNIAJPSUXUARL-UHFFFAOYSA-N 1 2 420.944 4.618 50 0 HJAALO Cc1nc(N2CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000035769092 132802847 /nfs/dbraw/zinc/80/28/47/132802847.db2.gz KHRPEUYQHQNTBP-LJQANCHMSA-N 1 2 422.617 4.795 50 0 HJAALO C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000044089196 526014832 /nfs/dbraw/zinc/01/48/32/526014832.db2.gz RWBIHNNLVWJSCX-QWHCGFSZSA-N 1 2 418.542 4.563 50 0 HJAALO O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960742 526652745 /nfs/dbraw/zinc/65/27/45/526652745.db2.gz OLZQGDCBTZTYCG-UHFFFAOYSA-N 1 2 409.493 4.796 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCCn1ccc2ccccc21)c1ccc(Cl)cc1 ZINC000032802261 527463124 /nfs/dbraw/zinc/46/31/24/527463124.db2.gz FMRYSJRSDWOOFT-OAQYLSRUSA-N 1 2 421.932 4.507 50 0 HJAALO Cc1cccc(Oc2nc(N3CCCC3)nc3c2C[N@H+](Cc2cccs2)CC3)c1 ZINC000034755660 557458128 /nfs/dbraw/zinc/45/81/28/557458128.db2.gz XURSZMXQBHMIAQ-UHFFFAOYSA-N 1 2 406.555 4.797 50 0 HJAALO Cc1cccc(Oc2nc(N3CCCC3)nc3c2C[N@@H+](Cc2cccs2)CC3)c1 ZINC000034755660 557458134 /nfs/dbraw/zinc/45/81/34/557458134.db2.gz XURSZMXQBHMIAQ-UHFFFAOYSA-N 1 2 406.555 4.797 50 0 HJAALO CC(C)CCNC(=O)C1CCN(c2[nH+]c3ccccc3n2CC2CCCCC2)CC1 ZINC000034906527 557473420 /nfs/dbraw/zinc/47/34/20/557473420.db2.gz QHKOIQQUPBKSAK-UHFFFAOYSA-N 1 2 410.606 4.995 50 0 HJAALO CC(C)CCNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906553 557473537 /nfs/dbraw/zinc/47/35/37/557473537.db2.gz IVHILDDYXSTCNI-OAQYLSRUSA-N 1 2 410.606 4.995 50 0 HJAALO CC(C)CCNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CCc2ccccc2)C1 ZINC000034907608 557474405 /nfs/dbraw/zinc/47/44/05/557474405.db2.gz QGCZYDFBDRNARA-JOCHJYFZSA-N 1 2 418.585 4.658 50 0 HJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccncc2)c(C)c1 ZINC000004622276 557573581 /nfs/dbraw/zinc/57/35/81/557573581.db2.gz BMGXGMDXZKJPOU-HSZRJFAPSA-N 1 2 409.493 4.976 50 0 HJAALO CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(O)c2)n2c3ccccc3[nH+]c2N1 ZINC000004734798 557588991 /nfs/dbraw/zinc/58/89/91/557588991.db2.gz OIASCHIURAPUGF-QFIPXVFZSA-N 1 2 414.440 4.809 50 0 HJAALO Cc1ccc2c(c1)C1=C([C@H](c3cccc(F)c3)O2)[C@@H](c2cccs2)N2NC=NC2=[NH+]1 ZINC000002707290 557744202 /nfs/dbraw/zinc/74/42/02/557744202.db2.gz XHSCQTGZVIVAEB-YADHBBJMSA-N 1 2 416.481 5.000 50 0 HJAALO Cc1ccc2c(c1)C1=C([C@@H](c3cccc(F)c3)O2)[C@@H](c2cccs2)N2NC=NC2=[NH+]1 ZINC000002707288 557744308 /nfs/dbraw/zinc/74/43/08/557744308.db2.gz XHSCQTGZVIVAEB-FGZHOGPDSA-N 1 2 416.481 5.000 50 0 HJAALO C[C@H]1CCC[N@@H+]([C@H](c2sc3nc(-c4ccco4)nn3c2O)c2ccc(F)cc2)C1 ZINC000022852206 557839840 /nfs/dbraw/zinc/83/98/40/557839840.db2.gz DVIMSPQILAHPRU-GUYCJALGSA-N 1 2 412.490 4.717 50 0 HJAALO C[C@H]1CCC[N@H+]([C@H](c2sc3nc(-c4ccco4)nn3c2O)c2ccc(F)cc2)C1 ZINC000022852206 557839843 /nfs/dbraw/zinc/83/98/43/557839843.db2.gz DVIMSPQILAHPRU-GUYCJALGSA-N 1 2 412.490 4.717 50 0 HJAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC000019743627 558264315 /nfs/dbraw/zinc/26/43/15/558264315.db2.gz POJKAUZZNUEHTR-CYBMUJFWSA-N 1 2 410.008 4.679 50 0 HJAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC000019743627 558264317 /nfs/dbraw/zinc/26/43/17/558264317.db2.gz POJKAUZZNUEHTR-CYBMUJFWSA-N 1 2 410.008 4.679 50 0 HJAALO COc1cccc(C[NH+]2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000020274236 558353355 /nfs/dbraw/zinc/35/33/55/558353355.db2.gz QOBVVMQBNQLZNJ-UHFFFAOYSA-N 1 2 410.370 4.517 50 0 HJAALO CCCCCCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2)c1=[NH2+] ZINC000020327638 558355857 /nfs/dbraw/zinc/35/58/57/558355857.db2.gz AJBOCJASLDCFMT-SFHVURJKSA-N 1 2 401.938 4.596 50 0 HJAALO Cn1ccnc1C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012299699 558369558 /nfs/dbraw/zinc/36/95/58/558369558.db2.gz QSJWJYSQFKCJRH-UHFFFAOYSA-N 1 2 411.509 4.710 50 0 HJAALO Cn1ccnc1C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012299699 558369560 /nfs/dbraw/zinc/36/95/60/558369560.db2.gz QSJWJYSQFKCJRH-UHFFFAOYSA-N 1 2 411.509 4.710 50 0 HJAALO CN(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1[nH+]ccn1C ZINC000012299699 558369562 /nfs/dbraw/zinc/36/95/62/558369562.db2.gz QSJWJYSQFKCJRH-UHFFFAOYSA-N 1 2 411.509 4.710 50 0 HJAALO O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020622028 558394017 /nfs/dbraw/zinc/39/40/17/558394017.db2.gz KDXKNDHXKWXFLX-JXMROGBWSA-N 1 2 423.516 4.966 50 0 HJAALO Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cccc3nccnc23)c1 ZINC000020785381 558413849 /nfs/dbraw/zinc/41/38/49/558413849.db2.gz HVHZMWPNICPLRG-AREMUKBSSA-N 1 2 406.489 4.964 50 0 HJAALO Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cccc3nccnc23)c1 ZINC000020785381 558413851 /nfs/dbraw/zinc/41/38/51/558413851.db2.gz HVHZMWPNICPLRG-AREMUKBSSA-N 1 2 406.489 4.964 50 0 HJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cc(C)cc(C)c2)c(C)c1 ZINC000004341743 558425398 /nfs/dbraw/zinc/42/53/98/558425398.db2.gz WADQKGCIHDUADW-UHFFFAOYSA-N 1 2 417.538 4.780 50 0 HJAALO CC1CC[NH+](Cn2nc(-c3ccc(Cl)cc3)n(C[C@H]3CCCO3)c2=S)CC1 ZINC000013072663 558511835 /nfs/dbraw/zinc/51/18/35/558511835.db2.gz QSJPYOWCVYUQGU-GOSISDBHSA-N 1 2 406.983 4.603 50 0 HJAALO Brc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 ZINC000022942015 558527730 /nfs/dbraw/zinc/52/77/30/558527730.db2.gz RUQNYJHERXYDRR-UHFFFAOYSA-N 1 2 424.180 4.529 50 0 HJAALO Brc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000022942015 558527733 /nfs/dbraw/zinc/52/77/33/558527733.db2.gz RUQNYJHERXYDRR-UHFFFAOYSA-N 1 2 424.180 4.529 50 0 HJAALO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000023908317 558581135 /nfs/dbraw/zinc/58/11/35/558581135.db2.gz BKTBVAMVIJFEDD-BTYIYWSLSA-N 1 2 421.447 4.965 50 0 HJAALO Cc1ccc(OCCSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1 ZINC000004500385 558612678 /nfs/dbraw/zinc/61/26/78/558612678.db2.gz RAOBZLLFXRHIKC-INIZCTEOSA-N 1 2 400.523 4.509 50 0 HJAALO Cn1c(-c2ccccc2F)nn(C[N@H+](C)Cc2ccc(Br)cc2)c1=S ZINC000014229580 558639447 /nfs/dbraw/zinc/63/94/47/558639447.db2.gz NBRXSWKPUYKYNI-UHFFFAOYSA-N 1 2 421.339 4.609 50 0 HJAALO Cn1c(-c2ccccc2F)nn(C[N@@H+](C)Cc2ccc(Br)cc2)c1=S ZINC000014229580 558639450 /nfs/dbraw/zinc/63/94/50/558639450.db2.gz NBRXSWKPUYKYNI-UHFFFAOYSA-N 1 2 421.339 4.609 50 0 HJAALO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000025435751 558640908 /nfs/dbraw/zinc/64/09/08/558640908.db2.gz LFMSSTVEKIGANK-UHFFFAOYSA-N 1 2 418.562 4.645 50 0 HJAALO COc1ccccc1CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C(C)C)CC1 ZINC000015005124 558698743 /nfs/dbraw/zinc/69/87/43/558698743.db2.gz UXQKUIGPEFPSOL-UHFFFAOYSA-N 1 2 405.542 4.650 50 0 HJAALO COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)[nH+]c2ccc(C)cn21 ZINC000035616068 558794470 /nfs/dbraw/zinc/79/44/70/558794470.db2.gz KOHPKCNPCGWSIY-UHFFFAOYSA-N 1 2 400.482 4.906 50 0 HJAALO CC1(O)CC(c2[nH+]c(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1 ZINC000053239527 558862995 /nfs/dbraw/zinc/86/29/95/558862995.db2.gz PKCDDUHJAFVJJB-UHFFFAOYSA-N 1 2 421.504 4.822 50 0 in-vitro HJAALO Cc1c([C@@H](C)[NH2+]Cc2nc(-c3ccc(Cl)cc3)no2)cnn1-c1cccc(F)c1 ZINC000019300246 558866241 /nfs/dbraw/zinc/86/62/41/558866241.db2.gz PTMSEPUPZPBOLJ-CYBMUJFWSA-N 1 2 411.868 4.874 50 0 HJAALO CSc1nnc(C[N@H+](C)Cc2ccc(-c3ccccc3C)cc2)n1C[C@@H]1CCCO1 ZINC000055309008 558878903 /nfs/dbraw/zinc/87/89/03/558878903.db2.gz JHQZRLKBTGJZKD-NRFANRHFSA-N 1 2 422.598 4.786 50 0 HJAALO CSc1nnc(C[N@@H+](C)Cc2ccc(-c3ccccc3C)cc2)n1C[C@@H]1CCCO1 ZINC000055309008 558878904 /nfs/dbraw/zinc/87/89/04/558878904.db2.gz JHQZRLKBTGJZKD-NRFANRHFSA-N 1 2 422.598 4.786 50 0 HJAALO Clc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCC5)CC2)c(Cl)c1 ZINC000055512622 558881842 /nfs/dbraw/zinc/88/18/42/558881842.db2.gz XNAHJPJAEKCSGK-UHFFFAOYSA-N 1 2 419.381 4.809 50 0 HJAALO O=C(NCc1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023313949 559115672 /nfs/dbraw/zinc/11/56/72/559115672.db2.gz GJQFKMCUZYDDCW-XMMPIXPASA-N 1 2 419.956 4.957 50 0 HJAALO O=C(c1ccc(F)c(F)c1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023322345 559135050 /nfs/dbraw/zinc/13/50/50/559135050.db2.gz JDURHNCXURFEOE-QHCPKHFHSA-N 1 2 410.439 4.651 50 0 HJAALO COc1ccc(Cl)cc1C(=O)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130211 560580392 /nfs/dbraw/zinc/58/03/92/560580392.db2.gz UJKQIHGMBUOMER-UHFFFAOYSA-N 1 2 409.917 4.765 50 0 HJAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(Cl)c4)CC3)n2)c1 ZINC000049403233 568448206 /nfs/dbraw/zinc/44/82/06/568448206.db2.gz MWAIMKLTSOUMPE-UHFFFAOYSA-N 1 2 410.905 4.517 50 0 HJAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1Br ZINC000000644761 568457235 /nfs/dbraw/zinc/45/72/35/568457235.db2.gz STTCLPGRESUADY-MRXNPFEDSA-N 1 2 411.299 4.700 50 0 HJAALO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000012300403 568464507 /nfs/dbraw/zinc/46/45/07/568464507.db2.gz WOBCKBPSHZXGRK-KRWDZBQOSA-N 1 2 418.472 4.813 50 0 HJAALO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000012300403 568464509 /nfs/dbraw/zinc/46/45/09/568464509.db2.gz WOBCKBPSHZXGRK-KRWDZBQOSA-N 1 2 418.472 4.813 50 0 HJAALO Cc1cc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccs2)ccc1Cl ZINC000020107673 568588095 /nfs/dbraw/zinc/58/80/95/568588095.db2.gz CBXIECHYWFEJEB-UHFFFAOYSA-N 1 2 424.035 4.631 50 0 HJAALO O=C(c1ccc(N2CCCc3ccccc32)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020985861 568654986 /nfs/dbraw/zinc/65/49/86/568654986.db2.gz GAHRYMVSLQKOCV-UHFFFAOYSA-N 1 2 417.578 4.790 50 0 HJAALO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H](c2ccccc2)O1 ZINC000225679701 568663712 /nfs/dbraw/zinc/66/37/12/568663712.db2.gz VAADSPYFCUMQFI-WZONZLPQSA-N 1 2 416.525 4.880 50 0 HJAALO Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000021159279 568674038 /nfs/dbraw/zinc/67/40/38/568674038.db2.gz WMAYVMCHMWHVEA-UHFFFAOYSA-N 1 2 416.569 4.622 50 0 HJAALO CC[C@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000021159577 568674539 /nfs/dbraw/zinc/67/45/39/568674539.db2.gz SFIGMQCABAKRGX-FQEVSTJZSA-N 1 2 418.585 4.833 50 0 HJAALO C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000095993253 568678134 /nfs/dbraw/zinc/67/81/34/568678134.db2.gz MPJGXYSYXJGQDJ-NVXWUHKLSA-N 1 2 407.464 4.537 50 0 HJAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014233154 568722062 /nfs/dbraw/zinc/72/20/62/568722062.db2.gz XEFQOYXVOCEESW-JKSUJKDBSA-N 1 2 411.596 4.683 50 0 HJAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014233154 568722065 /nfs/dbraw/zinc/72/20/65/568722065.db2.gz XEFQOYXVOCEESW-JKSUJKDBSA-N 1 2 411.596 4.683 50 0 HJAALO CC[C@@H](C)c1nc(N2CCN(C(=O)C3CCC3)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317470 568726848 /nfs/dbraw/zinc/72/68/48/568726848.db2.gz PZFUIFYDNBSMSF-LJQANCHMSA-N 1 2 420.601 4.646 50 0 HJAALO COc1cc(CNc2[nH+]c3ccccc3n2Cc2ccccc2)cc(OC)c1OC ZINC000000975739 568759568 /nfs/dbraw/zinc/75/95/68/568759568.db2.gz LYCRDNRHOCJWEI-UHFFFAOYSA-N 1 2 403.482 4.723 50 0 HJAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057024337 568823334 /nfs/dbraw/zinc/82/33/34/568823334.db2.gz DAEQHSDUMWCNRZ-IBGZPJMESA-N 1 2 403.501 4.642 50 0 HJAALO Cn1cc[nH+]c1[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000012530293 568844003 /nfs/dbraw/zinc/84/40/03/568844003.db2.gz NBNAQIKCJBYXIM-XMMPIXPASA-N 1 2 410.521 4.641 50 0 HJAALO COc1ccc([C@H](NC(=O)c2oc3c(cccc3Cl)c2C)c2[nH+]ccn2C)cc1 ZINC000012535129 568844937 /nfs/dbraw/zinc/84/49/37/568844937.db2.gz ZMNRIXZHUMXELF-SFHVURJKSA-N 1 2 409.873 4.656 50 0 HJAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1F ZINC000012547682 568851000 /nfs/dbraw/zinc/85/10/00/568851000.db2.gz QZYNEGDLVRANDI-VWLOTQADSA-N 1 2 413.496 4.987 50 0 HJAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057851669 568863430 /nfs/dbraw/zinc/86/34/30/568863430.db2.gz DNZBQQRNHBAHEI-CYBMUJFWSA-N 1 2 412.748 4.796 50 0 HJAALO C[C@H](c1nnc(S[C@@H](C)C(=O)c2ccccc2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000003376217 568891310 /nfs/dbraw/zinc/89/13/10/568891310.db2.gz HSSGSUOZYDUZBF-CABCVRRESA-N 1 2 414.962 4.907 50 0 HJAALO CN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012740034 568927018 /nfs/dbraw/zinc/92/70/18/568927018.db2.gz QCUHGTBMSMYNEU-SFHVURJKSA-N 1 2 424.961 4.673 50 0 HJAALO O=C(C[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000012780756 568957514 /nfs/dbraw/zinc/95/75/14/568957514.db2.gz KHHALGVCADTKEB-HSZRJFAPSA-N 1 2 419.431 4.598 50 0 HJAALO Cc1ccc(C)c(C(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000008188667 568980861 /nfs/dbraw/zinc/98/08/61/568980861.db2.gz DDXHJXZOFSXXSO-INIZCTEOSA-N 1 2 412.534 4.621 50 0 HJAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1Cl ZINC000008310367 568988769 /nfs/dbraw/zinc/98/87/69/568988769.db2.gz UGPGYMCPULLOHG-GOSISDBHSA-N 1 2 421.324 4.930 50 0 HJAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1Cl ZINC000008310367 568988771 /nfs/dbraw/zinc/98/87/71/568988771.db2.gz UGPGYMCPULLOHG-GOSISDBHSA-N 1 2 421.324 4.930 50 0 HJAALO CCc1cc([C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546051 569000008 /nfs/dbraw/zinc/00/00/08/569000008.db2.gz TUJFUSSVYBNYSL-NRFANRHFSA-N 1 2 410.539 4.886 50 0 HJAALO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000008428661 569002399 /nfs/dbraw/zinc/00/23/99/569002399.db2.gz CWQYVFGCMGABDK-UHFFFAOYSA-N 1 2 420.962 4.916 50 0 HJAALO Cc1cccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)c1 ZINC000015862811 569016065 /nfs/dbraw/zinc/01/60/65/569016065.db2.gz KZDLABZGESFBNY-UHFFFAOYSA-N 1 2 400.526 4.525 50 0 HJAALO Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)c1 ZINC000015862811 569016066 /nfs/dbraw/zinc/01/60/66/569016066.db2.gz KZDLABZGESFBNY-UHFFFAOYSA-N 1 2 400.526 4.525 50 0 HJAALO CCc1ccc([C@@H]([NH2+][C@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012909380 569021759 /nfs/dbraw/zinc/02/17/59/569021759.db2.gz WKFQPRPZMMNQED-RPWUZVMVSA-N 1 2 420.578 4.590 50 0 HJAALO O=C(Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1)c1cccc2ccccc21 ZINC000035598089 569045887 /nfs/dbraw/zinc/04/58/87/569045887.db2.gz ZFSMUXITDZCSTP-UHFFFAOYSA-N 1 2 406.449 4.811 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600952 569046265 /nfs/dbraw/zinc/04/62/65/569046265.db2.gz XVCZYIFVWVQIPK-FXAWDEMLSA-N 1 2 406.448 4.958 50 0 HJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000035600952 569046266 /nfs/dbraw/zinc/04/62/66/569046266.db2.gz XVCZYIFVWVQIPK-FXAWDEMLSA-N 1 2 406.448 4.958 50 0 HJAALO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239274871 569054060 /nfs/dbraw/zinc/05/40/60/569054060.db2.gz AUWGLUHSDQKTAB-LPHOPBHVSA-N 1 2 419.550 5.447 50 0 HJAALO C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239274871 569054061 /nfs/dbraw/zinc/05/40/61/569054061.db2.gz AUWGLUHSDQKTAB-LPHOPBHVSA-N 1 2 419.550 5.447 50 0 HJAALO C/C=C/CN(C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)[C@@H](C)CC ZINC000426374472 569072562 /nfs/dbraw/zinc/07/25/62/569072562.db2.gz ZOOWLTVNBFEZEU-VFADXPBXSA-N 1 2 401.576 4.728 50 0 HJAALO C/C=C/CN(C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)[C@@H](C)CC ZINC000426374472 569072563 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C[C@@]1(C2CCCCC2)NC(=O)N(C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C1=O ZINC000252444230 569286025 /nfs/dbraw/zinc/28/60/25/569286025.db2.gz WZOZTIZXYCRVAW-QPPBQGQZSA-N 1 2 423.582 4.544 50 0 HJAALO CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000003560544 569323152 /nfs/dbraw/zinc/32/31/52/569323152.db2.gz YWLUFLLOUYLACP-UHFFFAOYSA-N 1 2 407.539 4.741 50 0 HJAALO CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000003560544 569323153 /nfs/dbraw/zinc/32/31/53/569323153.db2.gz YWLUFLLOUYLACP-UHFFFAOYSA-N 1 2 407.539 4.741 50 0 HJAALO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1coc3ccccc3c1=O)[NH2+]C2 ZINC000054979036 569372980 /nfs/dbraw/zinc/37/29/80/569372980.db2.gz TYSGOOQFEPLJAB-XMMPIXPASA-N 1 2 416.477 4.574 50 0 HJAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000009378145 571253334 /nfs/dbraw/zinc/25/33/34/571253334.db2.gz BGHWCKPAQTZNED-JOCHJYFZSA-N 1 2 407.564 4.896 50 0 HJAALO COc1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C)oc1ccccc12 ZINC000009442040 571259157 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