smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000408978021 1070337880 /nfs/dbraw/zinc/33/78/80/1070337880.db2.gz GRQOZARHDMDOSV-UHFFFAOYSA-N 1 2 514.705 6.001 40 0 KKABLO Cc1ccccc1CCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000585266510 1071003143 /nfs/dbraw/zinc/00/31/43/1071003143.db2.gz BJOXBDHJUUMGHG-HHHXNRCGSA-N 1 2 515.061 5.261 40 0 KKABLO Cc1ccccc1CCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000585266510 1071003162 /nfs/dbraw/zinc/00/31/62/1071003162.db2.gz BJOXBDHJUUMGHG-HHHXNRCGSA-N 1 2 515.061 5.261 40 0 KKABLO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)cc1 ZINC000408924365 1071082713 /nfs/dbraw/zinc/08/27/13/1071082713.db2.gz HMEBAUNYTCHJCL-UHFFFAOYSA-N 1 2 600.741 5.388 40 0 KKABLO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000408922459 1071090696 /nfs/dbraw/zinc/09/06/96/1071090696.db2.gz FHQLYTADLMPTJZ-UHFFFAOYSA-N 1 2 568.743 5.674 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103531778 1071308517 /nfs/dbraw/zinc/30/85/17/1071308517.db2.gz ATNJGEIPAHIXSH-XKEBTDTJSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103531778 1071308533 /nfs/dbraw/zinc/30/85/33/1071308533.db2.gz ATNJGEIPAHIXSH-XKEBTDTJSA-N 1 2 586.644 5.694 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000225596314 1071311819 /nfs/dbraw/zinc/31/18/19/1071311819.db2.gz JZWBWRDDIYVTHR-IZLXSDGUSA-N 1 2 528.657 5.079 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000225596341 1071312396 /nfs/dbraw/zinc/31/23/96/1071312396.db2.gz JZWBWRDDIYVTHR-WUFINQPMSA-N 1 2 528.657 5.079 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000408710432 1071507805 /nfs/dbraw/zinc/50/78/05/1071507805.db2.gz BTXMIQKROUCRID-UHFFFAOYSA-N 1 2 570.901 6.437 40 0 KKABLO O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(OC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000409334912 1072342613 /nfs/dbraw/zinc/34/26/13/1072342613.db2.gz MQBXJAHFAMMUSD-UHFFFAOYSA-N 1 2 622.754 7.097 40 0 KKABLO COc1cc([C@@H](CC(=O)NCCCn2cc[nH+]c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138524 1073178589 /nfs/dbraw/zinc/17/85/89/1073178589.db2.gz MPHPVWUFLMKRJQ-WNCULLNHSA-N 1 2 663.768 5.530 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 ZINC000059331865 193895553 /nfs/dbraw/zinc/89/55/53/193895553.db2.gz CTVRKCRZSFGAJQ-BMRADRMJSA-N 1 2 526.040 7.140 40 0 KKABLO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC[NH+]3CCOCC3)c3nc(-c4ccc(C)cc4)cs3)cc12 ZINC000000932740 551585134 /nfs/dbraw/zinc/58/51/34/551585134.db2.gz RNJDAPWHZDWMMF-UHFFFAOYSA-N 1 2 557.745 6.196 40 0 KKABLO CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334468 551645389 /nfs/dbraw/zinc/64/53/89/551645389.db2.gz SFWWBRREUSOLRN-LJAQVGFWSA-N 1 2 572.616 5.012 40 0 KKABLO CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334468 551645390 /nfs/dbraw/zinc/64/53/90/551645390.db2.gz SFWWBRREUSOLRN-LJAQVGFWSA-N 1 2 572.616 5.012 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001335599 551645581 /nfs/dbraw/zinc/64/55/81/551645581.db2.gz WAXAKIMUXZGAFP-HHHXNRCGSA-N 1 2 556.642 5.263 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001335599 551645585 /nfs/dbraw/zinc/64/55/85/551645585.db2.gz WAXAKIMUXZGAFP-HHHXNRCGSA-N 1 2 556.642 5.263 40 0 KKABLO COc1ccc(CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2C)c2ccc(F)cc2)cc1OC ZINC000001346325 551646989 /nfs/dbraw/zinc/64/69/89/551646989.db2.gz NJGPRHGCSDXILT-UHFFFAOYSA-N 1 2 543.624 5.606 40 0 KKABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000001346650 551647220 /nfs/dbraw/zinc/64/72/20/551647220.db2.gz HPZSXEFYIFZQFW-UHFFFAOYSA-N 1 2 532.050 6.399 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374333 551653490 /nfs/dbraw/zinc/65/34/90/551653490.db2.gz QATORHTVTRIMTM-GDLZYMKVSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374333 551653491 /nfs/dbraw/zinc/65/34/91/551653491.db2.gz QATORHTVTRIMTM-GDLZYMKVSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375278 551656615 /nfs/dbraw/zinc/65/66/15/551656615.db2.gz KKOFBQROFRHZSW-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375278 551656617 /nfs/dbraw/zinc/65/66/17/551656617.db2.gz KKOFBQROFRHZSW-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375490 551657333 /nfs/dbraw/zinc/65/73/33/551657333.db2.gz IFSFVSQZIGYMAI-VWLOTQADSA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375490 551657335 /nfs/dbraw/zinc/65/73/35/551657335.db2.gz IFSFVSQZIGYMAI-VWLOTQADSA-N 1 2 516.646 5.534 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149260 552549943 /nfs/dbraw/zinc/54/99/43/552549943.db2.gz SCPFIUFRTHTVFM-GDLZYMKVSA-N 1 2 538.671 5.942 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149260 552549944 /nfs/dbraw/zinc/54/99/44/552549944.db2.gz SCPFIUFRTHTVFM-GDLZYMKVSA-N 1 2 538.671 5.942 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149359 552550217 /nfs/dbraw/zinc/55/02/17/552550217.db2.gz BVQODRJDTVJZCH-NDEPHWFRSA-N 1 2 540.737 6.172 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149359 552550220 /nfs/dbraw/zinc/55/02/20/552550220.db2.gz BVQODRJDTVJZCH-NDEPHWFRSA-N 1 2 540.737 6.172 40 0 KKABLO Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)ccc1Cl ZINC000006166872 552557603 /nfs/dbraw/zinc/55/76/03/552557603.db2.gz ARHWVIAPDHNRJJ-UHFFFAOYSA-N 1 2 628.087 9.069 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006282679 552577953 /nfs/dbraw/zinc/57/79/53/552577953.db2.gz LFYCLAPRDWVHIN-WJOKGBTCSA-N 1 2 548.691 5.863 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006282679 552577954 /nfs/dbraw/zinc/57/79/54/552577954.db2.gz LFYCLAPRDWVHIN-WJOKGBTCSA-N 1 2 548.691 5.863 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006409070 552583213 /nfs/dbraw/zinc/58/32/13/552583213.db2.gz APGQOKBTDHVNIR-GDLZYMKVSA-N 1 2 538.721 6.224 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006409070 552583215 /nfs/dbraw/zinc/58/32/15/552583215.db2.gz APGQOKBTDHVNIR-GDLZYMKVSA-N 1 2 538.721 6.224 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)c(C)c1 ZINC000008900419 553181283 /nfs/dbraw/zinc/18/12/83/553181283.db2.gz XHYGUNLKIHAOMO-UHFFFAOYSA-N 1 2 503.650 6.654 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)c(C)c1 ZINC000008900481 553181537 /nfs/dbraw/zinc/18/15/37/553181537.db2.gz TXDGGLKJGWIHNZ-UHFFFAOYSA-N 1 2 515.511 5.701 40 0 KKABLO COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2c(C)[nH+]c3ccccc32)c2ccccc2C)cc1 ZINC000012880668 553425434 /nfs/dbraw/zinc/42/54/34/553425434.db2.gz LVTMLDOOHYXXBL-PMERELPUSA-N 1 2 510.638 5.495 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013494731 553460382 /nfs/dbraw/zinc/46/03/82/553460382.db2.gz SWJYXHSXQWDPAM-MUUNZHRXSA-N 1 2 508.626 5.115 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013494731 553460383 /nfs/dbraw/zinc/46/03/83/553460383.db2.gz SWJYXHSXQWDPAM-MUUNZHRXSA-N 1 2 508.626 5.115 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494825 553460540 /nfs/dbraw/zinc/46/05/40/553460540.db2.gz JHRMIEYYZJROHN-MUUNZHRXSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494825 553460543 /nfs/dbraw/zinc/46/05/43/553460543.db2.gz JHRMIEYYZJROHN-MUUNZHRXSA-N 1 2 524.644 5.781 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013494855 553460581 /nfs/dbraw/zinc/46/05/81/553460581.db2.gz WHKMHEFYJJRTLZ-LJAQVGFWSA-N 1 2 522.653 5.424 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013494855 553460583 /nfs/dbraw/zinc/46/05/83/553460583.db2.gz WHKMHEFYJJRTLZ-LJAQVGFWSA-N 1 2 522.653 5.424 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494845 553460626 /nfs/dbraw/zinc/46/06/26/553460626.db2.gz BLLYJLPRLBGNJE-AREMUKBSSA-N 1 2 502.663 5.520 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494845 553460627 /nfs/dbraw/zinc/46/06/27/553460627.db2.gz BLLYJLPRLBGNJE-AREMUKBSSA-N 1 2 502.663 5.520 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494849 553460675 /nfs/dbraw/zinc/46/06/75/553460675.db2.gz AOOYNZAEIWMBIH-HHHXNRCGSA-N 1 2 500.647 5.490 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494849 553460676 /nfs/dbraw/zinc/46/06/76/553460676.db2.gz AOOYNZAEIWMBIH-HHHXNRCGSA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495031 553461048 /nfs/dbraw/zinc/46/10/48/553461048.db2.gz AOYJIBRIKVIBSA-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495031 553461049 /nfs/dbraw/zinc/46/10/49/553461049.db2.gz AOYJIBRIKVIBSA-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495761 553462527 /nfs/dbraw/zinc/46/25/27/553462527.db2.gz WHQFQDMJVBDPSI-VWLOTQADSA-N 1 2 502.619 5.225 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495761 553462529 /nfs/dbraw/zinc/46/25/29/553462529.db2.gz WHQFQDMJVBDPSI-VWLOTQADSA-N 1 2 502.619 5.225 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500805 553466299 /nfs/dbraw/zinc/46/62/99/553466299.db2.gz AAVJGFOWNPQDCO-MHZLTWQESA-N 1 2 512.614 5.098 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500805 553466302 /nfs/dbraw/zinc/46/63/02/553466302.db2.gz AAVJGFOWNPQDCO-MHZLTWQESA-N 1 2 512.614 5.098 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000013503397 553466948 /nfs/dbraw/zinc/46/69/48/553466948.db2.gz KKCBAPUXHXXGEM-MHZLTWQESA-N 1 2 528.682 5.390 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000013503397 553466950 /nfs/dbraw/zinc/46/69/50/553466950.db2.gz KKCBAPUXHXXGEM-MHZLTWQESA-N 1 2 528.682 5.390 40 0 KKABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C ZINC000013565767 553473215 /nfs/dbraw/zinc/47/32/15/553473215.db2.gz GWGWWIFZTWEUAK-UHFFFAOYSA-N 1 2 502.684 5.441 40 0 KKABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C ZINC000013565767 553473216 /nfs/dbraw/zinc/47/32/16/553473216.db2.gz GWGWWIFZTWEUAK-UHFFFAOYSA-N 1 2 502.684 5.441 40 0 KKABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000014162765 553505748 /nfs/dbraw/zinc/50/57/48/553505748.db2.gz CTAVSTKHWXHOSE-UHFFFAOYSA-N 1 2 523.705 5.824 40 0 KKABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3s1)C[N@H+](Cc1ccccc1)CC2 ZINC000014162765 553505749 /nfs/dbraw/zinc/50/57/49/553505749.db2.gz CTAVSTKHWXHOSE-UHFFFAOYSA-N 1 2 523.705 5.824 40 0 KKABLO CCc1cc([C@@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccn3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218713 553614352 /nfs/dbraw/zinc/61/43/52/553614352.db2.gz ONYOPBHJGYQPEJ-MUUNZHRXSA-N 1 2 512.679 5.878 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019941324 553643399 /nfs/dbraw/zinc/64/33/99/553643399.db2.gz DMRWXPVHOJQHOD-GDLZYMKVSA-N 1 2 520.681 5.802 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019941324 553643403 /nfs/dbraw/zinc/64/34/03/553643403.db2.gz DMRWXPVHOJQHOD-GDLZYMKVSA-N 1 2 520.681 5.802 40 0 KKABLO Cc1c(OCC(F)(F)F)ccnc1C[S@](=O)c1nc2ccccc2n1Cc1[nH+]ccc(OCC(F)(F)F)c1C ZINC000077303526 553661997 /nfs/dbraw/zinc/66/19/97/553661997.db2.gz GUWVDDXKNHBOLX-LDLOPFEMSA-N 1 2 572.531 5.681 40 0 in-vitro KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000020082651 553682376 /nfs/dbraw/zinc/68/23/76/553682376.db2.gz FHZCKZKGQXACLS-HHHXNRCGSA-N 1 2 526.710 5.864 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000020082651 553682381 /nfs/dbraw/zinc/68/23/81/553682381.db2.gz FHZCKZKGQXACLS-HHHXNRCGSA-N 1 2 526.710 5.864 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000020083607 553684460 /nfs/dbraw/zinc/68/44/60/553684460.db2.gz XLZASKSVZIVSAR-GDLZYMKVSA-N 1 2 520.681 5.721 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000020083607 553684462 /nfs/dbraw/zinc/68/44/62/553684462.db2.gz XLZASKSVZIVSAR-GDLZYMKVSA-N 1 2 520.681 5.721 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000020083877 553685029 /nfs/dbraw/zinc/68/50/29/553685029.db2.gz JZCWJWQCBHJVCZ-AREMUKBSSA-N 1 2 528.682 5.174 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000020083877 553685031 /nfs/dbraw/zinc/68/50/31/553685031.db2.gz JZCWJWQCBHJVCZ-AREMUKBSSA-N 1 2 528.682 5.174 40 0 KKABLO CCOc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(Br)c2)cc1 ZINC000020970377 553704897 /nfs/dbraw/zinc/70/48/97/553704897.db2.gz LPTXLIUWZUQFRD-DEOSSOPVSA-N 1 2 503.400 6.125 40 0 KKABLO O=C(C[C@H](c1ccccc1)N1CC[NH+]([C@H](CC(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000022584750 553747636 /nfs/dbraw/zinc/74/76/36/553747636.db2.gz KCDOUMKACNPCRR-ROJLCIKYSA-N 1 2 502.658 6.633 40 0 KKABLO Cc1ccc(C(=O)C[C@H](c2ccccc2)N2CC[NH+]([C@@H](CC(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000022942821 553768464 /nfs/dbraw/zinc/76/84/64/553768464.db2.gz CPTMPBSMUACENK-AQOUDTPCSA-N 1 2 530.712 7.249 40 0 KKABLO Cc1ccc(C(=O)C[C@H](c2ccccc2)[NH+]2CCN([C@@H](CC(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000022942821 553768467 /nfs/dbraw/zinc/76/84/67/553768467.db2.gz CPTMPBSMUACENK-AQOUDTPCSA-N 1 2 530.712 7.249 40 0 KKABLO Cc1cccc2c1NC(=O)[C@@]21[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000097955169 553829443 /nfs/dbraw/zinc/82/94/43/553829443.db2.gz JRJCDJXJYQTVKJ-AWTHXPCVSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1cccc2c1NC(=O)[C@@]21[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000097955169 553829447 /nfs/dbraw/zinc/82/94/47/553829447.db2.gz JRJCDJXJYQTVKJ-AWTHXPCVSA-N 1 2 532.427 5.316 40 0 KKABLO COC(=O)C1CC[NH+](CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@H]3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000097981480 553994511 /nfs/dbraw/zinc/99/45/11/553994511.db2.gz JIOMKYCHPCDJIQ-TVDZCDIJSA-N 1 2 540.491 6.001 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000100354283 554333298 /nfs/dbraw/zinc/33/32/98/554333298.db2.gz LNTSDTIJLADQLW-WJOKGBTCSA-N 1 2 596.732 5.520 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000100354283 554333300 /nfs/dbraw/zinc/33/33/00/554333300.db2.gz LNTSDTIJLADQLW-WJOKGBTCSA-N 1 2 596.732 5.520 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100369207 554355118 /nfs/dbraw/zinc/35/51/18/554355118.db2.gz LRZOMHFUGAROLK-LJAQVGFWSA-N 1 2 540.643 5.427 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100369207 554355120 /nfs/dbraw/zinc/35/51/20/554355120.db2.gz LRZOMHFUGAROLK-LJAQVGFWSA-N 1 2 540.643 5.427 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640578 554360742 /nfs/dbraw/zinc/36/07/42/554360742.db2.gz YVIBBJMGNPPONO-AREMUKBSSA-N 1 2 502.663 5.384 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640578 554360745 /nfs/dbraw/zinc/36/07/45/554360745.db2.gz YVIBBJMGNPPONO-AREMUKBSSA-N 1 2 502.663 5.384 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641442 554362130 /nfs/dbraw/zinc/36/21/30/554362130.db2.gz HXNKQMORHBSSHT-AREMUKBSSA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641442 554362126 /nfs/dbraw/zinc/36/21/26/554362126.db2.gz HXNKQMORHBSSHT-AREMUKBSSA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641474 554362154 /nfs/dbraw/zinc/36/21/54/554362154.db2.gz CMTHAMFPZOJSLQ-AREMUKBSSA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641474 554362157 /nfs/dbraw/zinc/36/21/57/554362157.db2.gz CMTHAMFPZOJSLQ-AREMUKBSSA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641522 554362198 /nfs/dbraw/zinc/36/21/98/554362198.db2.gz HWZMICMNNPRZCT-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641522 554362194 /nfs/dbraw/zinc/36/21/94/554362194.db2.gz HWZMICMNNPRZCT-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641320 554362270 /nfs/dbraw/zinc/36/22/70/554362270.db2.gz ZXJCMHZHEMUNKI-SANMLTNESA-N 1 2 528.657 5.253 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641320 554362274 /nfs/dbraw/zinc/36/22/74/554362274.db2.gz ZXJCMHZHEMUNKI-SANMLTNESA-N 1 2 528.657 5.253 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642195 554363424 /nfs/dbraw/zinc/36/34/24/554363424.db2.gz TYUFVOIDTUEIAO-AREMUKBSSA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642195 554363421 /nfs/dbraw/zinc/36/34/21/554363421.db2.gz TYUFVOIDTUEIAO-AREMUKBSSA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642166 554363548 /nfs/dbraw/zinc/36/35/48/554363548.db2.gz QXUWKQSEPVRKNG-RUZDIDTESA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642166 554363552 /nfs/dbraw/zinc/36/35/52/554363552.db2.gz QXUWKQSEPVRKNG-RUZDIDTESA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642222 554363671 /nfs/dbraw/zinc/36/36/71/554363671.db2.gz VTFMIINMBXUONK-HHHXNRCGSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642222 554363675 /nfs/dbraw/zinc/36/36/75/554363675.db2.gz VTFMIINMBXUONK-HHHXNRCGSA-N 1 2 514.674 5.799 40 0 KKABLO COc1ccccc1C[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)[C@H](c1nnnn1C1CCCCC1)C(C)C ZINC000100382959 554363764 /nfs/dbraw/zinc/36/37/64/554363764.db2.gz ZJWWSKZDCAXWLH-LJAQVGFWSA-N 1 2 558.683 5.199 40 0 KKABLO COc1ccccc1C[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)[C@H](c1nnnn1C1CCCCC1)C(C)C ZINC000100382959 554363766 /nfs/dbraw/zinc/36/37/66/554363766.db2.gz ZJWWSKZDCAXWLH-LJAQVGFWSA-N 1 2 558.683 5.199 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100385039 554364585 /nfs/dbraw/zinc/36/45/85/554364585.db2.gz SRUYMJGYZLQJLT-RUZDIDTESA-N 1 2 572.666 5.063 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100385039 554364586 /nfs/dbraw/zinc/36/45/86/554364586.db2.gz SRUYMJGYZLQJLT-RUZDIDTESA-N 1 2 572.666 5.063 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 ZINC000059331603 554389747 /nfs/dbraw/zinc/38/97/47/554389747.db2.gz MBEHNFQQKHKHOS-UHFFFAOYSA-N 1 2 530.698 5.737 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)COc4ccccc4C)cc3n2)c(C)c1 ZINC000059331625 554389921 /nfs/dbraw/zinc/38/99/21/554389921.db2.gz VQVQXVXQLMMEBI-UHFFFAOYSA-N 1 2 516.671 5.084 40 0 KKABLO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000100451445 554395314 /nfs/dbraw/zinc/39/53/14/554395314.db2.gz SULBPQPSYCASPO-ZMOGYAJESA-N 1 2 557.865 6.389 40 0 KKABLO CCOC(=O)C1=C(c2ccc(OC)cc2)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000059781473 554429866 /nfs/dbraw/zinc/42/98/66/554429866.db2.gz FEAGUKKHASWMRW-WJOKGBTCSA-N 1 2 531.612 6.591 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101104229 554639705 /nfs/dbraw/zinc/63/97/05/554639705.db2.gz DCQZWIQNJSXJFW-CJRSTVEYSA-N 1 2 582.376 5.622 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101104229 554639707 /nfs/dbraw/zinc/63/97/07/554639707.db2.gz DCQZWIQNJSXJFW-CJRSTVEYSA-N 1 2 582.376 5.622 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000102370312 554916140 /nfs/dbraw/zinc/91/61/40/554916140.db2.gz SSAXPXLTMOAPIU-AXXJGTDDSA-N 1 2 572.636 6.595 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000102370312 554916143 /nfs/dbraw/zinc/91/61/43/554916143.db2.gz SSAXPXLTMOAPIU-AXXJGTDDSA-N 1 2 572.636 6.595 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000102370315 554916217 /nfs/dbraw/zinc/91/62/17/554916217.db2.gz SSAXPXLTMOAPIU-RFMPLWHVSA-N 1 2 572.636 6.595 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000102370315 554916220 /nfs/dbraw/zinc/91/62/20/554916220.db2.gz SSAXPXLTMOAPIU-RFMPLWHVSA-N 1 2 572.636 6.595 40 0 KKABLO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000102766292 555055307 /nfs/dbraw/zinc/05/53/07/555055307.db2.gz YCCPIQFTOOLLBA-YLMAEMGQSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000102766292 555055309 /nfs/dbraw/zinc/05/53/09/555055309.db2.gz YCCPIQFTOOLLBA-YLMAEMGQSA-N 1 2 532.427 5.316 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000102891039 555126472 /nfs/dbraw/zinc/12/64/72/555126472.db2.gz DRKWHMYCGUOUMF-FJJKMLSJSA-N 1 2 552.845 5.661 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000102891039 555126473 /nfs/dbraw/zinc/12/64/73/555126473.db2.gz DRKWHMYCGUOUMF-FJJKMLSJSA-N 1 2 552.845 5.661 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000102891036 555126504 /nfs/dbraw/zinc/12/65/04/555126504.db2.gz DRKWHMYCGUOUMF-ZNSCEPEASA-N 1 2 552.845 5.661 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000102891036 555126506 /nfs/dbraw/zinc/12/65/06/555126506.db2.gz DRKWHMYCGUOUMF-ZNSCEPEASA-N 1 2 552.845 5.661 40 0 KKABLO CCCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103312190 555358108 /nfs/dbraw/zinc/35/81/08/555358108.db2.gz NVJWCKGKRXFPBN-XMFJDCMESA-N 1 2 589.091 7.111 40 0 KKABLO CCCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103312190 555358109 /nfs/dbraw/zinc/35/81/09/555358109.db2.gz NVJWCKGKRXFPBN-XMFJDCMESA-N 1 2 589.091 7.111 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519312 555424986 /nfs/dbraw/zinc/42/49/86/555424986.db2.gz CIXUWJIHVMCUGX-GYEXEWKGSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519312 555424992 /nfs/dbraw/zinc/42/49/92/555424992.db2.gz CIXUWJIHVMCUGX-GYEXEWKGSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103521774 555426850 /nfs/dbraw/zinc/42/68/50/555426850.db2.gz AVMJEHWRTVYLQJ-AXXJGTDDSA-N 1 2 570.645 5.994 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103521774 555426854 /nfs/dbraw/zinc/42/68/54/555426854.db2.gz AVMJEHWRTVYLQJ-AXXJGTDDSA-N 1 2 570.645 5.994 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000103523263 555427510 /nfs/dbraw/zinc/42/75/10/555427510.db2.gz RTQYDJFDQDYJFO-DZDVJMQSSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000103523263 555427512 /nfs/dbraw/zinc/42/75/12/555427512.db2.gz RTQYDJFDQDYJFO-DZDVJMQSSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103523266 555427632 /nfs/dbraw/zinc/42/76/32/555427632.db2.gz RTQYDJFDQDYJFO-PBNWVGGGSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103523266 555427636 /nfs/dbraw/zinc/42/76/36/555427636.db2.gz RTQYDJFDQDYJFO-PBNWVGGGSA-N 1 2 565.456 6.975 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000103525257 555427980 /nfs/dbraw/zinc/42/79/80/555427980.db2.gz ZNIIHSNEHDTJTD-WWYHPTGPSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000103525257 555427984 /nfs/dbraw/zinc/42/79/84/555427984.db2.gz ZNIIHSNEHDTJTD-WWYHPTGPSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000103531028 555431102 /nfs/dbraw/zinc/43/11/02/555431102.db2.gz PMLQCFRCIHRQEF-NGTMZHBCSA-N 1 2 544.582 5.816 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000103531028 555431104 /nfs/dbraw/zinc/43/11/04/555431104.db2.gz PMLQCFRCIHRQEF-NGTMZHBCSA-N 1 2 544.582 5.816 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103533429 555433733 /nfs/dbraw/zinc/43/37/33/555433733.db2.gz YKFUPMVNJQQBKK-LRXFEKEMSA-N 1 2 584.628 5.796 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103533429 555433734 /nfs/dbraw/zinc/43/37/34/555433734.db2.gz YKFUPMVNJQQBKK-LRXFEKEMSA-N 1 2 584.628 5.796 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103533656 555433954 /nfs/dbraw/zinc/43/39/54/555433954.db2.gz MLDICEQIRNJFDZ-ACZXLBTNSA-N 1 2 575.064 6.720 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103533656 555433958 /nfs/dbraw/zinc/43/39/58/555433958.db2.gz MLDICEQIRNJFDZ-ACZXLBTNSA-N 1 2 575.064 6.720 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)c(F)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103534958 555435135 /nfs/dbraw/zinc/43/51/35/555435135.db2.gz VYLWJTHGALUMKA-SPOCJGCTSA-N 1 2 574.608 5.825 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)c(F)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103534958 555435138 /nfs/dbraw/zinc/43/51/38/555435138.db2.gz VYLWJTHGALUMKA-SPOCJGCTSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103538622 555437182 /nfs/dbraw/zinc/43/71/82/555437182.db2.gz SDMNBEJABAUBGL-GYEXEWKGSA-N 1 2 570.601 5.406 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103538622 555437184 /nfs/dbraw/zinc/43/71/84/555437184.db2.gz SDMNBEJABAUBGL-GYEXEWKGSA-N 1 2 570.601 5.406 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103560702 555448945 /nfs/dbraw/zinc/44/89/45/555448945.db2.gz XHQKDOQCUSFTIT-VZNYXHRGSA-N 1 2 595.482 6.842 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103560702 555448950 /nfs/dbraw/zinc/44/89/50/555448950.db2.gz XHQKDOQCUSFTIT-VZNYXHRGSA-N 1 2 595.482 6.842 40 0 KKABLO COc1ccc([C@@H]([NH2+]Cc2ccccc2)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000103616189 555456240 /nfs/dbraw/zinc/45/62/40/555456240.db2.gz MTRCMXSXBNSWIM-PYVRYMSLSA-N 1 2 583.794 9.632 40 0 KKABLO COc1ccc([C@@H]([NH2+]Cc2ccccc2)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000103616189 555456245 /nfs/dbraw/zinc/45/62/45/555456245.db2.gz MTRCMXSXBNSWIM-PYVRYMSLSA-N 1 2 583.794 9.632 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288139 571361626 /nfs/dbraw/zinc/36/16/26/571361626.db2.gz NZTUBLJDNCPHMP-ACZXLBTNSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288139 571361627 /nfs/dbraw/zinc/36/16/27/571361627.db2.gz NZTUBLJDNCPHMP-ACZXLBTNSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccc(C(O)=C2[C@@H](C(=O)c3ccccn3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288139 571361628 /nfs/dbraw/zinc/36/16/28/571361628.db2.gz NZTUBLJDNCPHMP-ACZXLBTNSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccc(C(O)=C2[C@@H](C(=O)c3ccccn3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288139 571361629 /nfs/dbraw/zinc/36/16/29/571361629.db2.gz NZTUBLJDNCPHMP-ACZXLBTNSA-N 1 2 555.634 5.852 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103527975 571361746 /nfs/dbraw/zinc/36/17/46/571361746.db2.gz DEEGGLHMMXTTDS-JWXXLELASA-N 1 2 584.672 6.464 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103527975 571361747 /nfs/dbraw/zinc/36/17/47/571361747.db2.gz DEEGGLHMMXTTDS-JWXXLELASA-N 1 2 584.672 6.464 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104063278 571372004 /nfs/dbraw/zinc/37/20/04/571372004.db2.gz SVSCQAOVTQLVFU-HVRNLMOBSA-N 1 2 576.652 6.688 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104063278 571372005 /nfs/dbraw/zinc/37/20/05/571372005.db2.gz SVSCQAOVTQLVFU-HVRNLMOBSA-N 1 2 576.652 6.688 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5nsnc5c4)cc3n2)c(C)c1 ZINC000104099495 571373904 /nfs/dbraw/zinc/37/39/04/571373904.db2.gz NSLXKMHANZYNAX-UHFFFAOYSA-N 1 2 530.683 5.015 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000104104147 571373958 /nfs/dbraw/zinc/37/39/58/571373958.db2.gz FCBSZUIEBFRWOV-SPOCJGCTSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000104104147 571373960 /nfs/dbraw/zinc/37/39/60/571373960.db2.gz FCBSZUIEBFRWOV-SPOCJGCTSA-N 1 2 574.608 5.825 40 0 KKABLO CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000104403715 571380230 /nfs/dbraw/zinc/38/02/30/571380230.db2.gz GYGPYYRLXSPVNT-UHFFFAOYSA-N 1 2 630.235 7.068 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3n2)cc1 ZINC000105313899 571398083 /nfs/dbraw/zinc/39/80/83/571398083.db2.gz BKVVWMFLZKQUJS-UHFFFAOYSA-N 1 2 593.540 7.269 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)c(C)c1 ZINC000105313928 571398226 /nfs/dbraw/zinc/39/82/26/571398226.db2.gz LJGVQJKNTFXAHV-UHFFFAOYSA-N 1 2 541.508 6.317 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(OC)cc(OC)c4)cc3n2)c(C)c1 ZINC000105314021 571398294 /nfs/dbraw/zinc/39/82/94/571398294.db2.gz PYURTYKNZBGOBC-UHFFFAOYSA-N 1 2 532.670 5.028 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3n2)c(C)c1 ZINC000105314204 571398357 /nfs/dbraw/zinc/39/83/57/571398357.db2.gz OWFHWVLDZAQFPG-UHFFFAOYSA-N 1 2 597.597 7.532 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)c(C)c1 ZINC000105314213 571398385 /nfs/dbraw/zinc/39/83/85/571398385.db2.gz XUFQAKDNKYLJJB-UHFFFAOYSA-N 1 2 574.604 5.575 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(I)c4)cc3n2)c(C)c1 ZINC000105320881 571402306 /nfs/dbraw/zinc/40/23/06/571402306.db2.gz MYUFSXZYFNKEIR-UHFFFAOYSA-N 1 2 539.421 5.740 40 0 KKABLO CCOc1cc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc(OCC)c1OCC ZINC000105320883 571402401 /nfs/dbraw/zinc/40/24/01/571402401.db2.gz QTMPJBGZFQCMJH-UHFFFAOYSA-N 1 2 545.684 6.332 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1F)c1ccccc1Cl ZINC000113510666 571439373 /nfs/dbraw/zinc/43/93/73/571439373.db2.gz LMEMXOSFNXQIEB-UHFFFAOYSA-N 1 2 564.082 5.827 40 0 KKABLO Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223203279 571444529 /nfs/dbraw/zinc/44/45/29/571444529.db2.gz VONXXYOPJPORCA-LOSJGSFVSA-N 1 2 541.515 5.107 40 0 KKABLO COC(=O)C[C@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC ZINC000150382726 571467408 /nfs/dbraw/zinc/46/74/08/571467408.db2.gz VPWTVPSLIDITOX-ACEXITHZSA-N 1 2 748.945 7.883 40 0 KKABLO CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382872 571467486 /nfs/dbraw/zinc/46/74/86/571467486.db2.gz AUNVCPABFDBZRA-QGSYYBFSSA-N 1 2 797.033 9.658 40 0 KKABLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000150383148 571467563 /nfs/dbraw/zinc/46/75/63/571467563.db2.gz LDHMHOFHMJMMKK-LQJZCPKCSA-N 1 2 648.785 5.630 40 0 KKABLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000150383148 571467564 /nfs/dbraw/zinc/46/75/64/571467564.db2.gz LDHMHOFHMJMMKK-LQJZCPKCSA-N 1 2 648.785 5.630 40 0 KKABLO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCCCC2)cc1 ZINC000150388811 571471021 /nfs/dbraw/zinc/47/10/21/571471021.db2.gz PVPFBYZZCBQRIU-UHFFFAOYSA-N 1 2 651.722 9.385 40 0 KKABLO Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N4CC[NH+](Cc5ccccc5Cl)CC4)c(Cl)c3)o2)cc1Cl ZINC000150392531 571474491 /nfs/dbraw/zinc/47/44/91/571474491.db2.gz OQWSARGMSDVKMJ-JLHYYAGUSA-N 1 2 640.036 8.064 40 0 KKABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224174414 571490954 /nfs/dbraw/zinc/49/09/54/571490954.db2.gz QXEZKQFBEMFLEV-UHFFFAOYSA-N 1 2 516.638 5.258 40 0 KKABLO COc1ccc(Cc2nccc3c2cc(OC)c(OC)c3Cc2c3cc[nH+]c(Cc4ccc(OC)c(OC)c4)c3cc(OC)c2OC)cc1OC ZINC000150477741 571511210 /nfs/dbraw/zinc/51/12/10/571511210.db2.gz FPSUGWIUWOHMNI-UHFFFAOYSA-N 1 2 690.793 7.624 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc5ccccc5c(Br)c4OC)cc3n2)c(C)c1 ZINC000161958121 571531712 /nfs/dbraw/zinc/53/17/12/571531712.db2.gz PSBFOJSSCOODNN-UHFFFAOYSA-N 1 2 631.600 6.935 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224504408 571562353 /nfs/dbraw/zinc/56/23/53/571562353.db2.gz WUEXZXSQRSGMSD-LOSJGSFVSA-N 1 2 518.484 5.878 40 0 KKABLO COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3c2)cc1C ZINC000215870326 571586495 /nfs/dbraw/zinc/58/64/95/571586495.db2.gz WDIRDXJVPXISJA-UHFFFAOYSA-N 1 2 549.718 5.001 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CSc1ccc(Cl)cc1 ZINC000224680480 571602224 /nfs/dbraw/zinc/60/22/24/571602224.db2.gz IVMHVBHVLKVVDW-RMKNXTFCSA-N 1 2 507.099 6.502 40 0 KKABLO Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1Br ZINC000224935894 571631687 /nfs/dbraw/zinc/63/16/87/571631687.db2.gz QVNBVTJWHZIQJM-UIOOFZCWSA-N 1 2 532.511 6.186 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000225080034 571645078 /nfs/dbraw/zinc/64/50/78/571645078.db2.gz WBKTUDMOJNSHQE-JHOUSYSJSA-N 1 2 588.737 6.133 40 0 KKABLO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NC(=O)C(C)(C)C ZINC000225108915 571648095 /nfs/dbraw/zinc/64/80/95/571648095.db2.gz BAGXXTBLDXFXNQ-URLMMPGGSA-N 1 2 568.747 6.109 40 0 KKABLO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NC(=O)C(C)(C)C ZINC000225108831 571648115 /nfs/dbraw/zinc/64/81/15/571648115.db2.gz BAGXXTBLDXFXNQ-VMPREFPWSA-N 1 2 568.747 6.109 40 0 KKABLO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000225165173 571653783 /nfs/dbraw/zinc/65/37/83/571653783.db2.gz WOIZPSDVOBPVKT-WDYNHAJCSA-N 1 2 524.694 5.772 40 0 KKABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1NC(C)=O ZINC000225324925 571681036 /nfs/dbraw/zinc/68/10/36/571681036.db2.gz GRXWFCQDUOJOQK-VSGBNLITSA-N 1 2 526.666 5.082 40 0 KKABLO C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)C1 ZINC000260917955 571851546 /nfs/dbraw/zinc/85/15/46/571851546.db2.gz KESUTXMNAMQZNF-JXEHIZOESA-N 1 2 585.221 7.251 40 0 KKABLO C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)C1 ZINC000260917958 571851557 /nfs/dbraw/zinc/85/15/57/571851557.db2.gz KESUTXMNAMQZNF-WIHNBGHUSA-N 1 2 585.221 7.251 40 0 KKABLO CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225554952 571916919 /nfs/dbraw/zinc/91/69/19/571916919.db2.gz BMJOYUZGVCQMOF-LOYHVIPDSA-N 1 2 538.721 5.502 40 0 KKABLO Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225575951 571935951 /nfs/dbraw/zinc/93/59/51/571935951.db2.gz BRMKDVPFVUHUCB-VMPREFPWSA-N 1 2 524.694 5.248 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000225709612 572039698 /nfs/dbraw/zinc/03/96/98/572039698.db2.gz PFOYYTZUDGIJIH-ROJLCIKYSA-N 1 2 560.727 6.093 40 0 KKABLO CCN(c1ccc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000225854782 572077672 /nfs/dbraw/zinc/07/76/72/572077672.db2.gz MQQXONOOZHHHRC-UHFFFAOYSA-N 1 2 533.719 5.383 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC2CCCC2)cc1 ZINC000261361588 572103754 /nfs/dbraw/zinc/10/37/54/572103754.db2.gz ACYKWGIJZFYGNW-HHHXNRCGSA-O 1 2 505.664 5.654 40 0 KKABLO CCCOc1ccc2ccccc2c1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCCC)n[n+]21 ZINC000261363036 572104648 /nfs/dbraw/zinc/10/46/48/572104648.db2.gz OXTJYFIYHOTMPP-HHHXNRCGSA-O 1 2 501.632 5.494 40 0 KKABLO O=c1[nH]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@H]2c1cc(O)ccc1Br ZINC000261363568 572105328 /nfs/dbraw/zinc/10/53/28/572105328.db2.gz HOITWZGSNVGNJT-OAQYLSRUSA-O 1 2 528.839 5.523 40 0 KKABLO CCOc1cc([C@@H]2N(C(=O)c3ccccc3)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Cl)c1OCc1ccccc1 ZINC000261365500 572107792 /nfs/dbraw/zinc/10/77/92/572107792.db2.gz STJUZXZLWBFDNE-WJOKGBTCSA-O 1 2 612.131 6.697 40 0 KKABLO CCCOC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1)NC1(CNC(=O)OCc2ccccc2)COC1 ZINC000306145757 572144793 /nfs/dbraw/zinc/14/47/93/572144793.db2.gz PHUUYHFZIUKLPJ-BHVANESWSA-N 1 2 658.799 5.873 40 0 KKABLO Clc1cc(I)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329065713 572151218 /nfs/dbraw/zinc/15/12/18/572151218.db2.gz XUDDUSLRHWLFFC-UHFFFAOYSA-N 1 2 504.803 5.734 40 0 KKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3cccc(Br)c3)nc(NC3CCCC3)[nH+]2)c1 ZINC000329070648 572152046 /nfs/dbraw/zinc/15/20/46/572152046.db2.gz ZIVROOULDJZEGW-UHFFFAOYSA-N 1 2 507.354 5.615 40 0 KKABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1ccccc1C ZINC000408561824 572248305 /nfs/dbraw/zinc/24/83/05/572248305.db2.gz VSNXHIBBMGSUNM-UHFFFAOYSA-N 1 2 555.700 5.352 40 0 KKABLO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408602050 572273097 /nfs/dbraw/zinc/27/30/97/572273097.db2.gz CAQXMKMTKCAYQH-XNTDXEJSSA-N 1 2 565.739 5.862 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408617368 572279436 /nfs/dbraw/zinc/27/94/36/572279436.db2.gz GIAWYLXSWWMLQW-VMPITWQZSA-N 1 2 592.083 5.720 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000408625657 572283498 /nfs/dbraw/zinc/28/34/98/572283498.db2.gz WRPYXFIREWEVEL-VMPITWQZSA-N 1 2 572.558 5.350 40 0 KKABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000408625920 572283583 /nfs/dbraw/zinc/28/35/83/572283583.db2.gz XLKRXFRBXPVWGS-JXMROGBWSA-N 1 2 566.167 5.314 40 0 KKABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408635490 572292598 /nfs/dbraw/zinc/29/25/98/572292598.db2.gz CDCXYJGNQDZVOU-QPJJXVBHSA-N 1 2 560.503 5.031 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000253500298 572294170 /nfs/dbraw/zinc/29/41/70/572294170.db2.gz ASNYCLQAIFMNIY-XNMGPUDCSA-N 1 2 500.647 5.130 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000253500298 572294172 /nfs/dbraw/zinc/29/41/72/572294172.db2.gz ASNYCLQAIFMNIY-XNMGPUDCSA-N 1 2 500.647 5.130 40 0 KKABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500534 572294349 /nfs/dbraw/zinc/29/43/49/572294349.db2.gz VIQAPDIHYVQBSY-CLJLJLNGSA-N 1 2 500.647 5.000 40 0 KKABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500534 572294350 /nfs/dbraw/zinc/29/43/50/572294350.db2.gz VIQAPDIHYVQBSY-CLJLJLNGSA-N 1 2 500.647 5.000 40 0 KKABLO CC(C)c1nc(CN(C)C(=O)N[C@H](CC[NH+]2CCOCC2)C(=O)N[C@@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000256015115 572305088 /nfs/dbraw/zinc/30/50/88/572305088.db2.gz ZCIGNRJZKPOIKD-XNPVHZECSA-N 1 2 776.042 6.001 40 0 KKABLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)CN(S(=O)(=O)c2ccc(C)cc2)[C@H](Cc2ccccc2)CO3)nc1-c1ccc(F)cc1 ZINC000257205125 572306842 /nfs/dbraw/zinc/30/68/42/572306842.db2.gz AXTQCDKPUBAFQB-GDLZYMKVSA-N 1 2 648.826 5.672 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc(C(C)C)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257216122 572307921 /nfs/dbraw/zinc/30/79/21/572307921.db2.gz CTEKEEURIPKLRE-BHBYDHKZSA-N 1 2 541.758 5.027 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc(C(C)C)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257216122 572307922 /nfs/dbraw/zinc/30/79/22/572307922.db2.gz CTEKEEURIPKLRE-BHBYDHKZSA-N 1 2 541.758 5.027 40 0 KKABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccc(Oc5cccnc5)cc4)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257263185 572312349 /nfs/dbraw/zinc/31/23/49/572312349.db2.gz LOTWNLNDKJNETI-SSEXGKCCSA-N 1 2 626.779 5.288 40 0 KKABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccccc2Oc2cccc(Cl)c2)CCO1 ZINC000257306815 572316460 /nfs/dbraw/zinc/31/64/60/572316460.db2.gz SWBAYBKPROGEIX-SANMLTNESA-N 1 2 501.410 5.311 40 0 KKABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccccc2Oc2cccc(Cl)c2)CCO1 ZINC000257306815 572316461 /nfs/dbraw/zinc/31/64/61/572316461.db2.gz SWBAYBKPROGEIX-SANMLTNESA-N 1 2 501.410 5.311 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257313190 572317136 /nfs/dbraw/zinc/31/71/36/572317136.db2.gz URIUMQAVROUFAL-UHFFFAOYSA-N 1 2 547.721 5.763 40 0 KKABLO COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408678609 572319945 /nfs/dbraw/zinc/31/99/45/572319945.db2.gz TZGVKEBJRQUJDK-UHFFFAOYSA-N 1 2 529.640 5.731 40 0 KKABLO [NH2+]=C1N[C@H](SCc2ccccc2Cl)Nc2sc3c(c21)C[C@@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000103516565 1069709705 /nfs/dbraw/zinc/70/97/05/1069709705.db2.gz YIZMOQUFUDSAFF-SAYMBASOSA-N 1 2 534.175 7.869 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408924523 1070243103 /nfs/dbraw/zinc/24/31/03/1070243103.db2.gz OYMDRQBUERQPQX-UHFFFAOYSA-N 1 2 540.689 5.058 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103538651 1070934085 /nfs/dbraw/zinc/93/40/85/1070934085.db2.gz WPGGYJUEXCAPOP-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103538651 1070934097 /nfs/dbraw/zinc/93/40/97/1070934097.db2.gz WPGGYJUEXCAPOP-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408921702 1071093979 /nfs/dbraw/zinc/09/39/79/1071093979.db2.gz VLZVLVVRXIWVJT-UHFFFAOYSA-N 1 2 619.585 5.820 40 0 KKABLO O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408704472 1071439008 /nfs/dbraw/zinc/43/90/08/1071439008.db2.gz NYBZGTCKEKKNAG-KTRRRMCCSA-N 1 2 532.109 5.585 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2cc(C)cc(C)c2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408986427 1071490163 /nfs/dbraw/zinc/49/01/63/1071490163.db2.gz CGXYRPJWZCYOGS-JOCHJYFZSA-N 1 2 506.455 5.820 40 0 KKABLO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000408710436 1071508416 /nfs/dbraw/zinc/50/84/16/1071508416.db2.gz RYCNMDROUTXWKR-UHFFFAOYSA-N 1 2 546.064 5.448 40 0 KKABLO O=C(Nc1ccccc1)[C@H](NCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000408734056 1071567802 /nfs/dbraw/zinc/56/78/02/1071567802.db2.gz GRRAWPSOGGRSIP-VSGBNLITSA-N 1 2 547.486 6.232 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408992870 1071570070 /nfs/dbraw/zinc/57/00/70/1071570070.db2.gz UVNASVKYIPTIAC-JOCHJYFZSA-N 1 2 506.455 5.820 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C(C)C)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408987693 1071610836 /nfs/dbraw/zinc/61/08/36/1071610836.db2.gz GIVAXPXZLYXKKD-QHCPKHFHSA-N 1 2 520.482 6.326 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCC(=O)c4ccc(-c5ccccc5)cc4)sc3c2)CC1 ZINC000408750141 1071678288 /nfs/dbraw/zinc/67/82/88/1071678288.db2.gz XQNGVWUGEIMABP-UHFFFAOYSA-N 1 2 606.773 6.578 40 0 KKABLO COc1ccc(OC)c(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)c1 ZINC000408749269 1071685574 /nfs/dbraw/zinc/68/55/74/1071685574.db2.gz MUYLJQCRLGGCHC-UHFFFAOYSA-N 1 2 562.717 5.246 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCc4cccc(F)c4)sc3c2)CC1 ZINC000408749752 1071682104 /nfs/dbraw/zinc/68/21/04/1071682104.db2.gz SWYOOLQNRFUDRR-UHFFFAOYSA-N 1 2 520.655 5.368 40 0 KKABLO O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)c1ccc(OC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000409334649 1072344967 /nfs/dbraw/zinc/34/49/67/1072344967.db2.gz LQQLFAPOIYYXAG-UHFFFAOYSA-N 1 2 624.730 5.887 40 0 KKABLO COc1cc([C@@H](CC(=O)NCC(C)(C)[NH+]2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138539 1073178615 /nfs/dbraw/zinc/17/86/15/1073178615.db2.gz CGEFZSVPQWPRNU-RBJSKKJNSA-N 1 2 696.838 5.354 40 0 KKABLO CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@@](=O)Cc4c[nH+]cn4CCC)cc2)CCCN3CC(C)C)cc1 ZINC000028569498 1073207163 /nfs/dbraw/zinc/20/71/63/1073207163.db2.gz PNDKCRDVVKJPKG-VCZQVZGSSA-N 1 2 696.958 8.742 40 0 in-man KKABLO COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1 ZINC000000929212 551581192 /nfs/dbraw/zinc/58/11/92/551581192.db2.gz JHDABWGFHHNHDQ-UHFFFAOYSA-N 1 2 573.744 5.897 40 0 KKABLO COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccc(OC)c(OC)c3)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000001362164 551648261 /nfs/dbraw/zinc/64/82/61/551648261.db2.gz YRJMMWADZUNGHS-SSEXGKCCSA-N 1 2 582.705 5.130 40 0 KKABLO COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000001362164 551648263 /nfs/dbraw/zinc/64/82/63/551648263.db2.gz YRJMMWADZUNGHS-SSEXGKCCSA-N 1 2 582.705 5.130 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000001374014 551653128 /nfs/dbraw/zinc/65/31/28/551653128.db2.gz VWUGCIGZDRSTTC-DEOSSOPVSA-N 1 2 516.646 5.104 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000001374014 551653130 /nfs/dbraw/zinc/65/31/30/551653130.db2.gz VWUGCIGZDRSTTC-DEOSSOPVSA-N 1 2 516.646 5.104 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374258 551653496 /nfs/dbraw/zinc/65/34/96/551653496.db2.gz JGESJIQTISMPCX-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374258 551653497 /nfs/dbraw/zinc/65/34/97/551653497.db2.gz JGESJIQTISMPCX-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374332 551653532 /nfs/dbraw/zinc/65/35/32/551653532.db2.gz QATORHTVTRIMTM-LJAQVGFWSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374332 551653533 /nfs/dbraw/zinc/65/35/33/551653533.db2.gz QATORHTVTRIMTM-LJAQVGFWSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374500 551654032 /nfs/dbraw/zinc/65/40/32/551654032.db2.gz NYXRFHJTZQUERQ-LJAQVGFWSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374500 551654033 /nfs/dbraw/zinc/65/40/33/551654033.db2.gz NYXRFHJTZQUERQ-LJAQVGFWSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374511 551654035 /nfs/dbraw/zinc/65/40/35/551654035.db2.gz UIMBPAVFLYJKMA-MHZLTWQESA-N 1 2 530.579 5.003 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374511 551654036 /nfs/dbraw/zinc/65/40/36/551654036.db2.gz UIMBPAVFLYJKMA-MHZLTWQESA-N 1 2 530.579 5.003 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375135 551656291 /nfs/dbraw/zinc/65/62/91/551656291.db2.gz VZPPDDDFRLOATH-MHZLTWQESA-N 1 2 554.626 5.201 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375135 551656294 /nfs/dbraw/zinc/65/62/94/551656294.db2.gz VZPPDDDFRLOATH-MHZLTWQESA-N 1 2 554.626 5.201 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375293 551656503 /nfs/dbraw/zinc/65/65/03/551656503.db2.gz LGOIBCOWUHKNGM-MHZLTWQESA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375293 551656505 /nfs/dbraw/zinc/65/65/05/551656505.db2.gz LGOIBCOWUHKNGM-MHZLTWQESA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375440 551657001 /nfs/dbraw/zinc/65/70/01/551657001.db2.gz RWLVVOXVIQFUFD-NDEPHWFRSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375440 551657003 /nfs/dbraw/zinc/65/70/03/551657003.db2.gz RWLVVOXVIQFUFD-NDEPHWFRSA-N 1 2 522.653 5.342 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000001375863 551657890 /nfs/dbraw/zinc/65/78/90/551657890.db2.gz YJJKDWKINVWWQK-HHHXNRCGSA-N 1 2 544.681 5.185 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000001375863 551657893 /nfs/dbraw/zinc/65/78/93/551657893.db2.gz YJJKDWKINVWWQK-HHHXNRCGSA-N 1 2 544.681 5.185 40 0 KKABLO CCOC(=O)C1CC[NH+]([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000002551861 552129140 /nfs/dbraw/zinc/12/91/40/552129140.db2.gz MRKOGXDDXAWCQE-VWLOTQADSA-N 1 2 511.087 6.581 40 0 KKABLO O=C(NCCCn1cc[nH+]c1)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccc(Cl)cc1 ZINC000002713071 552160987 /nfs/dbraw/zinc/16/09/87/552160987.db2.gz MMAXJDYDAAMMLO-KQWNVCNZSA-N 1 2 542.945 5.793 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006198161 552570002 /nfs/dbraw/zinc/57/00/02/552570002.db2.gz GSHHGRALNSERPF-MUUNZHRXSA-N 1 2 540.737 6.118 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006198161 552570004 /nfs/dbraw/zinc/57/00/04/552570004.db2.gz GSHHGRALNSERPF-MUUNZHRXSA-N 1 2 540.737 6.118 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000006300818 552580194 /nfs/dbraw/zinc/58/01/94/552580194.db2.gz LJOWBTNCHARUQZ-LJAQVGFWSA-N 1 2 538.602 5.337 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000006300818 552580197 /nfs/dbraw/zinc/58/01/97/552580197.db2.gz LJOWBTNCHARUQZ-LJAQVGFWSA-N 1 2 538.602 5.337 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321245 552581081 /nfs/dbraw/zinc/58/10/81/552581081.db2.gz BQJFMFZTNDZCOW-JGCGQSQUSA-N 1 2 546.719 6.471 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321245 552581082 /nfs/dbraw/zinc/58/10/82/552581082.db2.gz BQJFMFZTNDZCOW-JGCGQSQUSA-N 1 2 546.719 6.471 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc12 ZINC000006322070 552581480 /nfs/dbraw/zinc/58/14/80/552581480.db2.gz IGRXOGUSSFSIRH-YTTGMZPUSA-N 1 2 546.719 6.471 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc12 ZINC000006322070 552581481 /nfs/dbraw/zinc/58/14/81/552581481.db2.gz IGRXOGUSSFSIRH-YTTGMZPUSA-N 1 2 546.719 6.471 40 0 KKABLO COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)ccc(C)c3[nH]c2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006322195 552581487 /nfs/dbraw/zinc/58/14/87/552581487.db2.gz WOUZWGUVZZVJJD-HKBQPEDESA-N 1 2 548.691 5.232 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3n2)c(C)c1 ZINC000008900438 553181289 /nfs/dbraw/zinc/18/12/89/553181289.db2.gz FWCNONDXVBWZPW-UHFFFAOYSA-N 1 2 512.441 6.451 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4sc5ccccc5c4Cl)cc3n2)c(C)c1 ZINC000008900401 553181386 /nfs/dbraw/zinc/18/13/86/553181386.db2.gz FMWMWOXOGZWYDU-UHFFFAOYSA-N 1 2 504.059 7.004 40 0 KKABLO COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000012880685 553425441 /nfs/dbraw/zinc/42/54/41/553425441.db2.gz JMHIBKQWTYJGPN-PMERELPUSA-N 1 2 510.638 5.182 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494645 553460290 /nfs/dbraw/zinc/46/02/90/553460290.db2.gz GJBOAYCQABSHEN-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494645 553460292 /nfs/dbraw/zinc/46/02/92/553460292.db2.gz GJBOAYCQABSHEN-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013494730 553460331 /nfs/dbraw/zinc/46/03/31/553460331.db2.gz SWJYXHSXQWDPAM-NDEPHWFRSA-N 1 2 508.626 5.115 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013494730 553460333 /nfs/dbraw/zinc/46/03/33/553460333.db2.gz SWJYXHSXQWDPAM-NDEPHWFRSA-N 1 2 508.626 5.115 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494826 553460617 /nfs/dbraw/zinc/46/06/17/553460617.db2.gz JHRMIEYYZJROHN-NDEPHWFRSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494826 553460618 /nfs/dbraw/zinc/46/06/18/553460618.db2.gz JHRMIEYYZJROHN-NDEPHWFRSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495049 553461055 /nfs/dbraw/zinc/46/10/55/553461055.db2.gz FRAJKYRRMSMZJK-MUUNZHRXSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495049 553461057 /nfs/dbraw/zinc/46/10/57/553461057.db2.gz FRAJKYRRMSMZJK-MUUNZHRXSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495051 553461314 /nfs/dbraw/zinc/46/13/14/553461314.db2.gz FRAJKYRRMSMZJK-NDEPHWFRSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495051 553461316 /nfs/dbraw/zinc/46/13/16/553461316.db2.gz FRAJKYRRMSMZJK-NDEPHWFRSA-N 1 2 524.644 5.667 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495059 553461364 /nfs/dbraw/zinc/46/13/64/553461364.db2.gz HZATXZILTIYBMB-AREMUKBSSA-N 1 2 504.610 5.321 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495059 553461366 /nfs/dbraw/zinc/46/13/66/553461366.db2.gz HZATXZILTIYBMB-AREMUKBSSA-N 1 2 504.610 5.321 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495191 553461572 /nfs/dbraw/zinc/46/15/72/553461572.db2.gz XMXPYYPEALHERM-MHZLTWQESA-N 1 2 516.646 5.191 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495191 553461574 /nfs/dbraw/zinc/46/15/74/553461574.db2.gz XMXPYYPEALHERM-MHZLTWQESA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495140 553461590 /nfs/dbraw/zinc/46/15/90/553461590.db2.gz JWQWQAGOFXOINS-MHZLTWQESA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495140 553461592 /nfs/dbraw/zinc/46/15/92/553461592.db2.gz JWQWQAGOFXOINS-MHZLTWQESA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495146 553461609 /nfs/dbraw/zinc/46/16/09/553461609.db2.gz QFFCRVZMILEIOP-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495146 553461611 /nfs/dbraw/zinc/46/16/11/553461611.db2.gz QFFCRVZMILEIOP-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495126 553461623 /nfs/dbraw/zinc/46/16/23/553461623.db2.gz FCCIFEPELKMRBQ-MUUNZHRXSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495126 553461624 /nfs/dbraw/zinc/46/16/24/553461624.db2.gz FCCIFEPELKMRBQ-MUUNZHRXSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495138 553461677 /nfs/dbraw/zinc/46/16/77/553461677.db2.gz JWQWQAGOFXOINS-HHHXNRCGSA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495138 553461678 /nfs/dbraw/zinc/46/16/78/553461678.db2.gz JWQWQAGOFXOINS-HHHXNRCGSA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495779 553462567 /nfs/dbraw/zinc/46/25/67/553462567.db2.gz JWYSQPWUJPZBKN-SANMLTNESA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495779 553462569 /nfs/dbraw/zinc/46/25/69/553462569.db2.gz JWYSQPWUJPZBKN-SANMLTNESA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495762 553462608 /nfs/dbraw/zinc/46/26/08/553462608.db2.gz DPKIWBQDMRQJON-AREMUKBSSA-N 1 2 514.655 5.095 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495762 553462609 /nfs/dbraw/zinc/46/26/09/553462609.db2.gz DPKIWBQDMRQJON-AREMUKBSSA-N 1 2 514.655 5.095 40 0 KKABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000013564997 553472745 /nfs/dbraw/zinc/47/27/45/553472745.db2.gz HDGVUISASOXNEY-UHFFFAOYSA-N 1 2 526.637 5.457 40 0 KKABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000013564997 553472747 /nfs/dbraw/zinc/47/27/47/553472747.db2.gz HDGVUISASOXNEY-UHFFFAOYSA-N 1 2 526.637 5.457 40 0 KKABLO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000013815405 553492714 /nfs/dbraw/zinc/49/27/14/553492714.db2.gz HBAJJGLXFFHEFI-YRKLHJTHSA-N 1 2 526.699 5.119 40 0 KKABLO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000013815405 553492715 /nfs/dbraw/zinc/49/27/15/553492715.db2.gz HBAJJGLXFFHEFI-YRKLHJTHSA-N 1 2 526.699 5.119 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc5ccccc5o4)cc3n2)c(C)c1 ZINC000014275844 553508911 /nfs/dbraw/zinc/50/89/11/553508911.db2.gz LJAGJLBYZYUKAG-UHFFFAOYSA-N 1 2 512.639 5.757 40 0 KKABLO CCOC(=O)Oc1cc(CC2=[NH+]CCc3cc(OC)c(OCc4ccccc4)cc32)ccc1OCc1ccccc1 ZINC000072130380 553641561 /nfs/dbraw/zinc/64/15/61/553641561.db2.gz VDYQWYZJKUEVGK-UHFFFAOYSA-N 1 2 551.639 6.976 40 0 in-vitro KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972884 553649714 /nfs/dbraw/zinc/64/97/14/553649714.db2.gz RROCSMSHXHAFCV-NDEPHWFRSA-N 1 2 524.694 5.834 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972884 553649717 /nfs/dbraw/zinc/64/97/17/553649717.db2.gz RROCSMSHXHAFCV-NDEPHWFRSA-N 1 2 524.694 5.834 40 0 KKABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020461131 553655805 /nfs/dbraw/zinc/65/58/05/553655805.db2.gz GMKRCKSWUWOKOE-UHFFFAOYSA-N 1 2 522.630 5.198 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)c(C)c1 ZINC000020611087 553679451 /nfs/dbraw/zinc/67/94/51/553679451.db2.gz ZJUNXOZSNZZMSF-UHFFFAOYSA-N 1 2 528.056 7.358 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000020082822 553682654 /nfs/dbraw/zinc/68/26/54/553682654.db2.gz BUBWALBKHDFXKB-NDEPHWFRSA-N 1 2 506.654 5.412 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000020082822 553682656 /nfs/dbraw/zinc/68/26/56/553682656.db2.gz BUBWALBKHDFXKB-NDEPHWFRSA-N 1 2 506.654 5.412 40 0 KKABLO FC(F)(F)c1ccc2c(c1)N(CCC[NH+]1CCN(CCC3OCCCO3)CC1)c1ccccc1S2 ZINC000022463271 553742727 /nfs/dbraw/zinc/74/27/27/553742727.db2.gz GXCXYCOOYDMQOK-UHFFFAOYSA-N 1 2 507.622 5.469 40 0 in-man KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 ZINC000022847566 553760646 /nfs/dbraw/zinc/76/06/46/553760646.db2.gz HVELMNHUGSUSCG-UHFFFAOYSA-N 1 2 523.062 5.364 40 0 KKABLO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)c(C)c1 ZINC000022860977 553762870 /nfs/dbraw/zinc/76/28/70/553762870.db2.gz ROCBUBNTKCWGHI-UHFFFAOYSA-N 1 2 527.521 6.059 40 0 KKABLO S=c1n(C[NH+]2CCC(c3ccccc3)CC2)nc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000100281915 554277035 /nfs/dbraw/zinc/27/70/35/554277035.db2.gz AYCCQCJBAIDGTD-UHFFFAOYSA-N 1 2 538.761 7.867 40 0 KKABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000044884980 554307948 /nfs/dbraw/zinc/30/79/48/554307948.db2.gz YDFXZUQREZAQQV-UHFFFAOYSA-N 1 2 509.031 5.182 40 0 KKABLO COc1ccc(CC[N@H+](Cc2ccccc2)[C@H](c2nnnn2C2CCCCC2)c2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000100342452 554327489 /nfs/dbraw/zinc/32/74/89/554327489.db2.gz RTKXXGDQEWTUQI-XIFFEERXSA-N 1 2 592.744 6.180 40 0 KKABLO COc1ccc(CC[N@@H+](Cc2ccccc2)[C@H](c2nnnn2C2CCCCC2)c2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000100342452 554327491 /nfs/dbraw/zinc/32/74/91/554327491.db2.gz RTKXXGDQEWTUQI-XIFFEERXSA-N 1 2 592.744 6.180 40 0 KKABLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000100346634 554330375 /nfs/dbraw/zinc/33/03/75/554330375.db2.gz IHBGUTXAOSRTRK-UHFFFAOYSA-N 1 2 550.065 6.105 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100369292 554355511 /nfs/dbraw/zinc/35/55/11/554355511.db2.gz PVESFIKPKYSWCO-PMERELPUSA-N 1 2 536.680 5.482 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100369292 554355513 /nfs/dbraw/zinc/35/55/13/554355513.db2.gz PVESFIKPKYSWCO-PMERELPUSA-N 1 2 536.680 5.482 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371329 554356924 /nfs/dbraw/zinc/35/69/24/554356924.db2.gz FLCUXRVAFGXHLR-PMERELPUSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371329 554356929 /nfs/dbraw/zinc/35/69/29/554356929.db2.gz FLCUXRVAFGXHLR-PMERELPUSA-N 1 2 536.680 5.650 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589753 554357753 /nfs/dbraw/zinc/35/77/53/554357753.db2.gz BDPUWLACJKXCCW-NDEPHWFRSA-N 1 2 512.633 5.654 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589753 554357757 /nfs/dbraw/zinc/35/77/57/554357757.db2.gz BDPUWLACJKXCCW-NDEPHWFRSA-N 1 2 512.633 5.654 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375255 554359609 /nfs/dbraw/zinc/35/96/09/554359609.db2.gz JDACMEUCPHNPAQ-SANMLTNESA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375255 554359612 /nfs/dbraw/zinc/35/96/12/554359612.db2.gz JDACMEUCPHNPAQ-SANMLTNESA-N 1 2 536.636 5.062 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000057640686 554361005 /nfs/dbraw/zinc/36/10/05/554361005.db2.gz ZCKACXKQNNRHIY-PMERELPUSA-N 1 2 520.681 5.782 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000057640686 554361000 /nfs/dbraw/zinc/36/10/00/554361000.db2.gz ZCKACXKQNNRHIY-PMERELPUSA-N 1 2 520.681 5.782 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640683 554361086 /nfs/dbraw/zinc/36/10/86/554361086.db2.gz CTTXAMLRMBMCOM-GDLZYMKVSA-N 1 2 506.654 5.587 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640683 554361089 /nfs/dbraw/zinc/36/10/89/554361089.db2.gz CTTXAMLRMBMCOM-GDLZYMKVSA-N 1 2 506.654 5.587 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641596 554362477 /nfs/dbraw/zinc/36/24/77/554362477.db2.gz CTYZFSVKSQRAIZ-GDLZYMKVSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641596 554362480 /nfs/dbraw/zinc/36/24/80/554362480.db2.gz CTYZFSVKSQRAIZ-GDLZYMKVSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641581 554362513 /nfs/dbraw/zinc/36/25/13/554362513.db2.gz JVZMBXYLPBBNHU-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641581 554362517 /nfs/dbraw/zinc/36/25/17/554362517.db2.gz JVZMBXYLPBBNHU-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642098 554363159 /nfs/dbraw/zinc/36/31/59/554363159.db2.gz FBJYZHLODNBFBL-GDLZYMKVSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642098 554363163 /nfs/dbraw/zinc/36/31/63/554363163.db2.gz FBJYZHLODNBFBL-GDLZYMKVSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642296 554363371 /nfs/dbraw/zinc/36/33/71/554363371.db2.gz JBXIFALMRLEBHO-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642296 554363375 /nfs/dbraw/zinc/36/33/75/554363375.db2.gz JBXIFALMRLEBHO-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642125 554363517 /nfs/dbraw/zinc/36/35/17/554363517.db2.gz SZEQGVDQFBLFAR-MUUNZHRXSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642125 554363522 /nfs/dbraw/zinc/36/35/22/554363522.db2.gz SZEQGVDQFBLFAR-MUUNZHRXSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642104 554363685 /nfs/dbraw/zinc/36/36/85/554363685.db2.gz FPTMHRSQIVGALM-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642104 554363681 /nfs/dbraw/zinc/36/36/81/554363681.db2.gz FPTMHRSQIVGALM-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO COc1ccccc1C[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)[C@@H](c1nnnn1C1CCCCC1)C(C)C ZINC000100382963 554363875 /nfs/dbraw/zinc/36/38/75/554363875.db2.gz ZJWWSKZDCAXWLH-GDLZYMKVSA-N 1 2 558.683 5.199 40 0 KKABLO COc1ccccc1C[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)[C@@H](c1nnnn1C1CCCCC1)C(C)C ZINC000100382963 554363880 /nfs/dbraw/zinc/36/38/80/554363880.db2.gz ZJWWSKZDCAXWLH-GDLZYMKVSA-N 1 2 558.683 5.199 40 0 KKABLO O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000059331654 554390315 /nfs/dbraw/zinc/39/03/15/554390315.db2.gz ONBSSRWKUGUEHC-JXMROGBWSA-N 1 2 516.450 5.612 40 0 KKABLO O=C(C[C@H](c1ccccc1)[NH+]1CCN([C@@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000059662462 554420625 /nfs/dbraw/zinc/42/06/25/554420625.db2.gz NDNNUORLJRSGFI-MEKGRNQZSA-N 1 2 571.548 7.939 40 0 KKABLO O=C(C[C@H](c1ccccc1)N1CC[NH+]([C@@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000059662462 554420621 /nfs/dbraw/zinc/42/06/21/554420621.db2.gz NDNNUORLJRSGFI-MEKGRNQZSA-N 1 2 571.548 7.939 40 0 KKABLO O=C(C[C@@H](c1ccccc1)N1CC[NH+]([C@@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000059662468 554420739 /nfs/dbraw/zinc/42/07/39/554420739.db2.gz NDNNUORLJRSGFI-ACHIHNKUSA-N 1 2 571.548 7.939 40 0 KKABLO COc1ccccc1[C@@H]1N[C@H](c2ccccc2OC)C2C(=O)C1[C@@H](c1ccccc1OC)[NH2+][C@H]2c1ccccc1OC ZINC000059844313 554448017 /nfs/dbraw/zinc/44/80/17/554448017.db2.gz ISMZWGPNPCOVDV-XYWJRZMHSA-N 1 2 564.682 5.994 40 0 KKABLO [NH3+]C1=C(c2nc3ccccc3s2)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Cc2nc3ccccc3n21 ZINC000101459684 554778000 /nfs/dbraw/zinc/77/80/00/554778000.db2.gz QRWCYHAMIVVSCV-SFHVURJKSA-N 1 2 528.559 7.773 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589774 554801958 /nfs/dbraw/zinc/80/19/58/554801958.db2.gz HUUQWSQNLAVVGP-IZJWOVIGSA-N 1 2 589.047 6.247 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589774 554801959 /nfs/dbraw/zinc/80/19/59/554801959.db2.gz HUUQWSQNLAVVGP-IZJWOVIGSA-N 1 2 589.047 6.247 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101589767 554801967 /nfs/dbraw/zinc/80/19/67/554801967.db2.gz HUUQWSQNLAVVGP-MIARMAKKSA-N 1 2 589.047 6.247 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101589767 554801968 /nfs/dbraw/zinc/80/19/68/554801968.db2.gz HUUQWSQNLAVVGP-MIARMAKKSA-N 1 2 589.047 6.247 40 0 KKABLO C[C@@H]1C[C@@H](N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000101993988 554864406 /nfs/dbraw/zinc/86/44/06/554864406.db2.gz UJYZBSILMYELGV-FYBSXPHGSA-N 1 2 534.660 5.615 40 0 KKABLO C[C@H]1C[C@@H](N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000101993993 554864616 /nfs/dbraw/zinc/86/46/16/554864616.db2.gz UJYZBSILMYELGV-SETSBSEESA-N 1 2 534.660 5.615 40 0 KKABLO Cc1ccc(N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)[C@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000101994014 554864695 /nfs/dbraw/zinc/86/46/95/554864695.db2.gz NQGJPWNSWPMMFJ-ZUKKLESISA-N 1 2 562.714 6.232 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000102370379 554916300 /nfs/dbraw/zinc/91/63/00/554916300.db2.gz TWCBHMWSSWIGMU-RFMPLWHVSA-N 1 2 589.091 7.109 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000102370379 554916302 /nfs/dbraw/zinc/91/63/02/554916302.db2.gz TWCBHMWSSWIGMU-RFMPLWHVSA-N 1 2 589.091 7.109 40 0 KKABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000102550096 554961295 /nfs/dbraw/zinc/96/12/95/554961295.db2.gz PKHULJNYASEEFZ-VTMRUAGOSA-N 1 2 556.618 5.543 40 0 KKABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000102550096 554961297 /nfs/dbraw/zinc/96/12/97/554961297.db2.gz PKHULJNYASEEFZ-VTMRUAGOSA-N 1 2 556.618 5.543 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103522150 555426865 /nfs/dbraw/zinc/42/68/65/555426865.db2.gz LOLZTPKNQFAKPE-NIKYWZLZSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103522150 555426870 /nfs/dbraw/zinc/42/68/70/555426870.db2.gz LOLZTPKNQFAKPE-NIKYWZLZSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103522143 555426900 /nfs/dbraw/zinc/42/69/00/555426900.db2.gz LOLZTPKNQFAKPE-GCZHVTBPSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103522143 555426904 /nfs/dbraw/zinc/42/69/04/555426904.db2.gz LOLZTPKNQFAKPE-GCZHVTBPSA-N 1 2 561.037 6.330 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(OC(C)=O)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103522328 555427010 /nfs/dbraw/zinc/42/70/10/555427010.db2.gz ZAFCZRLDWUVGHW-YUIGLEDNSA-N 1 2 598.655 5.992 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(OC(C)=O)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103522328 555427012 /nfs/dbraw/zinc/42/70/12/555427012.db2.gz ZAFCZRLDWUVGHW-YUIGLEDNSA-N 1 2 598.655 5.992 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cc(OC)ccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c1 ZINC000103523246 555427477 /nfs/dbraw/zinc/42/74/77/555427477.db2.gz NLTDXXIXLCCPPL-RFMPLWHVSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cc(OC)ccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c1 ZINC000103523246 555427481 /nfs/dbraw/zinc/42/74/81/555427481.db2.gz NLTDXXIXLCCPPL-RFMPLWHVSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000103526767 555428714 /nfs/dbraw/zinc/42/87/14/555428714.db2.gz LMOZLHGQLLMZBV-NGTMZHBCSA-N 1 2 579.027 6.469 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000103526767 555428715 /nfs/dbraw/zinc/42/87/15/555428715.db2.gz LMOZLHGQLLMZBV-NGTMZHBCSA-N 1 2 579.027 6.469 40 0 KKABLO O=C(c1ccccc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103527166 555429070 /nfs/dbraw/zinc/42/90/70/555429070.db2.gz UZPCINOSVJYMKQ-PBNWVGGGSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccccc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103527166 555429072 /nfs/dbraw/zinc/42/90/72/555429072.db2.gz UZPCINOSVJYMKQ-PBNWVGGGSA-N 1 2 565.456 6.975 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(C)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103529880 555430301 /nfs/dbraw/zinc/43/03/01/555430301.db2.gz ZRULEWIEPMSUTB-LRXFEKEMSA-N 1 2 554.646 6.375 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(C)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103529880 555430303 /nfs/dbraw/zinc/43/03/03/555430303.db2.gz ZRULEWIEPMSUTB-LRXFEKEMSA-N 1 2 554.646 6.375 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103530160 555430365 /nfs/dbraw/zinc/43/03/65/555430365.db2.gz ZMFOJBQXCKGMBF-XWSGIVAFSA-N 1 2 584.628 5.602 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103530160 555430367 /nfs/dbraw/zinc/43/03/67/555430367.db2.gz ZMFOJBQXCKGMBF-XWSGIVAFSA-N 1 2 584.628 5.602 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000103530608 555430752 /nfs/dbraw/zinc/43/07/52/555430752.db2.gz SJGOZCKXYPTXHE-IZJWOVIGSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000103530608 555430755 /nfs/dbraw/zinc/43/07/55/555430755.db2.gz SJGOZCKXYPTXHE-IZJWOVIGSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103532485 555432968 /nfs/dbraw/zinc/43/29/68/555432968.db2.gz HJIJOMZEEAUFHC-ACZXLBTNSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103532485 555432971 /nfs/dbraw/zinc/43/29/71/555432971.db2.gz HJIJOMZEEAUFHC-ACZXLBTNSA-N 1 2 591.063 6.339 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000103535068 555435127 /nfs/dbraw/zinc/43/51/27/555435127.db2.gz AJXGNGZZVCYLQA-DZDVJMQSSA-N 1 2 583.446 7.114 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000103535068 555435129 /nfs/dbraw/zinc/43/51/29/555435129.db2.gz AJXGNGZZVCYLQA-DZDVJMQSSA-N 1 2 583.446 7.114 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000103536455 555435853 /nfs/dbraw/zinc/43/58/53/555435853.db2.gz HQINTFJHPQGABW-GCZHVTBPSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000103536455 555435855 /nfs/dbraw/zinc/43/58/55/555435855.db2.gz HQINTFJHPQGABW-GCZHVTBPSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1Br ZINC000103544739 555440116 /nfs/dbraw/zinc/44/01/16/555440116.db2.gz GLCDHFYSOJXWLM-YCHSVXFSSA-N 1 2 605.488 6.439 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1Br ZINC000103544739 555440119 /nfs/dbraw/zinc/44/01/19/555440119.db2.gz GLCDHFYSOJXWLM-YCHSVXFSSA-N 1 2 605.488 6.439 40 0 KKABLO CC[C@@]12C=CC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)C(COC(=O)c1cc(OC)c(OC)c(OC)c1)=C2 ZINC000072266239 562732991 /nfs/dbraw/zinc/73/29/91/562732991.db2.gz YBXKKOCGWBHEBM-DGPALRBDSA-N 1 2 500.595 5.244 40 0 in-man KKABLO CC[C@@]12C=CC[N@H+]3CCc4c5ccccc5n(c4[C@@H]31)C(COC(=O)c1cc(OC)c(OC)c(OC)c1)=C2 ZINC000072266239 562732992 /nfs/dbraw/zinc/73/29/92/562732992.db2.gz YBXKKOCGWBHEBM-DGPALRBDSA-N 1 2 500.595 5.244 40 0 in-man KKABLO COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(C[N@H+]4[C@H](C)CCC[C@@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1 ZINC000095550396 562760166 /nfs/dbraw/zinc/76/01/66/562760166.db2.gz QGWIQIAWOCJRPI-WSCVWKGISA-N 1 2 756.966 6.344 40 0 investigational KKABLO COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(C[N@@H+]4[C@H](C)CCC[C@@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1 ZINC000095550396 562760167 /nfs/dbraw/zinc/76/01/67/562760167.db2.gz QGWIQIAWOCJRPI-WSCVWKGISA-N 1 2 756.966 6.344 40 0 investigational KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288041 571361417 /nfs/dbraw/zinc/36/14/17/571361417.db2.gz QYTFWAQAXDFUST-XKEBTDTJSA-N 1 2 623.536 7.764 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288041 571361419 /nfs/dbraw/zinc/36/14/19/571361419.db2.gz QYTFWAQAXDFUST-XKEBTDTJSA-N 1 2 623.536 7.764 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000104100929 571373875 /nfs/dbraw/zinc/37/38/75/571373875.db2.gz COWVBSTZYBBWJT-RFMPLWHVSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000104100929 571373877 /nfs/dbraw/zinc/37/38/77/571373877.db2.gz COWVBSTZYBBWJT-RFMPLWHVSA-N 1 2 586.644 5.694 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3n2)cc1 ZINC000104329650 571379219 /nfs/dbraw/zinc/37/92/19/571379219.db2.gz XIROTQXEVNJPKG-UHFFFAOYSA-N 1 2 524.477 7.349 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4Br)cc3n2)c(C)c1 ZINC000104329853 571379264 /nfs/dbraw/zinc/37/92/64/571379264.db2.gz MRIXQOXZJRFOFW-UHFFFAOYSA-N 1 2 550.501 6.280 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000105026025 571389806 /nfs/dbraw/zinc/38/98/06/571389806.db2.gz BELPPMCEZZYBNH-UHFFFAOYSA-N 1 2 527.481 6.009 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Br)cc(Br)c4OC)cc3n2)cc1 ZINC000105026296 571389901 /nfs/dbraw/zinc/38/99/01/571389901.db2.gz ATQHBHYUGUIJLE-UHFFFAOYSA-N 1 2 587.316 6.361 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 ZINC000105313846 571398091 /nfs/dbraw/zinc/39/80/91/571398091.db2.gz LLWDGXRKUQTINM-UHFFFAOYSA-N 1 2 559.095 6.615 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3n2)cc1 ZINC000105313871 571398125 /nfs/dbraw/zinc/39/81/25/571398125.db2.gz HNTJPAFTNSCGDP-UHFFFAOYSA-N 1 2 593.540 7.269 40 0 KKABLO CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1Br ZINC000105313971 571398224 /nfs/dbraw/zinc/39/82/24/571398224.db2.gz FVHMDEXCHLZMEA-UHFFFAOYSA-N 1 2 595.567 6.172 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Cl)ccc4OC)cc3n2)c(C)c1 ZINC000105314004 571398281 /nfs/dbraw/zinc/39/82/81/571398281.db2.gz MLXHTBNDSNZTCG-UHFFFAOYSA-N 1 2 537.089 5.672 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3n2)c(C)c1 ZINC000105314154 571398311 /nfs/dbraw/zinc/39/83/11/571398311.db2.gz GXZJROQCJBIRAO-UHFFFAOYSA-N 1 2 607.567 7.577 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)c(C)c1 ZINC000105320977 571402282 /nfs/dbraw/zinc/40/22/82/571402282.db2.gz OLXWCSMMDLFYOL-NTCAYCPXSA-N 1 2 574.512 8.102 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3n2)cc1 ZINC000105320855 571402397 /nfs/dbraw/zinc/40/23/97/571402397.db2.gz WVPYRQXRXCKWIM-NTCAYCPXSA-N 1 2 560.485 7.794 40 0 KKABLO O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000105322630 571403044 /nfs/dbraw/zinc/40/30/44/571403044.db2.gz JTYPLILYUPOSPM-JXMROGBWSA-N 1 2 601.361 8.534 40 0 KKABLO COc1c(F)c(F)c(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)c(F)c1F ZINC000105322619 571403048 /nfs/dbraw/zinc/40/30/48/571403048.db2.gz SIJWCGBHHSEATC-UHFFFAOYSA-N 1 2 542.360 6.133 40 0 KKABLO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)c(OC)c1 ZINC000105355445 571404204 /nfs/dbraw/zinc/40/42/04/571404204.db2.gz ZGOWTAAHIJBMJN-UHFFFAOYSA-N 1 2 559.519 5.460 40 0 KKABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000112253641 571436792 /nfs/dbraw/zinc/43/67/92/571436792.db2.gz AXSCZFFONIZISC-UHFFFAOYSA-N 1 2 618.583 5.183 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1F)c1cccc(Cl)c1 ZINC000113510412 571439336 /nfs/dbraw/zinc/43/93/36/571439336.db2.gz GZLZTMGOQLTKPW-UHFFFAOYSA-N 1 2 564.082 5.827 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1F)c1ccc(F)cc1 ZINC000113511996 571439579 /nfs/dbraw/zinc/43/95/79/571439579.db2.gz QETXCNKRMKKVRH-UHFFFAOYSA-N 1 2 547.627 5.313 40 0 KKABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CCC[NH+]1CCOCC1 ZINC000223201814 571444145 /nfs/dbraw/zinc/44/41/45/571444145.db2.gz SZHYHQTZJARWMJ-RPWUZVMVSA-N 1 2 517.482 5.343 40 0 KKABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CCC[NH+]1CCOCC1 ZINC000223201757 571444186 /nfs/dbraw/zinc/44/41/86/571444186.db2.gz SZHYHQTZJARWMJ-ZEQRLZLVSA-N 1 2 517.482 5.343 40 0 KKABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1CCC[NH+]1CCOCC1 ZINC000223202050 571444304 /nfs/dbraw/zinc/44/43/04/571444304.db2.gz CTRSBFTXYVQDRO-RPWUZVMVSA-N 1 2 517.482 5.343 40 0 KKABLO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)c1cccc(Cl)c1Cl ZINC000139720073 571453754 /nfs/dbraw/zinc/45/37/54/571453754.db2.gz DKQHWUMDLPDNDK-UHFFFAOYSA-N 1 2 529.449 5.075 40 0 KKABLO COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382721 571467446 /nfs/dbraw/zinc/46/74/46/571467446.db2.gz RCLCCSBHNWZHCK-GWRSVMHXSA-N 1 2 732.990 9.366 40 0 KKABLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000150383147 571467618 /nfs/dbraw/zinc/46/76/18/571467618.db2.gz LDHMHOFHMJMMKK-SAIUNTKASA-N 1 2 648.785 5.630 40 0 KKABLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000150383147 571467620 /nfs/dbraw/zinc/46/76/20/571467620.db2.gz LDHMHOFHMJMMKK-SAIUNTKASA-N 1 2 648.785 5.630 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@@H]3c4ccccc4C=C[N@@H+]3[C@H](C(=O)c3ccc(Br)cc3)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000150487682 571516731 /nfs/dbraw/zinc/51/67/31/571516731.db2.gz OWJRQVYHNYBVOR-XCRHCGELSA-N 1 2 665.540 6.457 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@@H]3c4ccccc4C=C[N@H+]3[C@H](C(=O)c3ccc(Br)cc3)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000150487682 571516734 /nfs/dbraw/zinc/51/67/34/571516734.db2.gz OWJRQVYHNYBVOR-XCRHCGELSA-N 1 2 665.540 6.457 40 0 KKABLO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000195533818 571563675 /nfs/dbraw/zinc/56/36/75/571563675.db2.gz KCPZNGCZFMQZCF-ZMAXYJRFSA-N 1 2 617.812 6.063 40 0 KKABLO Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224678840 571601747 /nfs/dbraw/zinc/60/17/47/571601747.db2.gz PLKKAQDQXOKFJZ-AJQTZOPKSA-N 1 2 545.712 7.216 40 0 KKABLO Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2)cc1 ZINC000224713027 571608563 /nfs/dbraw/zinc/60/85/63/571608563.db2.gz AUKGHJUPVQCNKH-ROJLCIKYSA-N 1 2 545.712 7.216 40 0 KKABLO Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NC(=O)C(C)C ZINC000224101074 571610154 /nfs/dbraw/zinc/61/01/54/571610154.db2.gz LAZIQBOHJNEDBR-URLMMPGGSA-N 1 2 538.721 6.018 40 0 KKABLO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NC(=O)C(C)(C)C ZINC000225108877 571648130 /nfs/dbraw/zinc/64/81/30/571648130.db2.gz BAGXXTBLDXFXNQ-WDYNHAJCSA-N 1 2 568.747 6.109 40 0 KKABLO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000225165209 571653757 /nfs/dbraw/zinc/65/37/57/571653757.db2.gz WOIZPSDVOBPVKT-URLMMPGGSA-N 1 2 524.694 5.772 40 0 KKABLO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1OC ZINC000225193453 571656562 /nfs/dbraw/zinc/65/65/62/571656562.db2.gz ZCVDIQHGGFCXHJ-WDYNHAJCSA-N 1 2 540.693 5.473 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225375890 571741953 /nfs/dbraw/zinc/74/19/53/571741953.db2.gz YUPKGVCIAOWFDE-IHLOFXLRSA-N 1 2 523.706 6.437 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)cc1 ZINC000225616683 571966977 /nfs/dbraw/zinc/96/69/77/571966977.db2.gz GSKRTGMPQDWHNK-VSGBNLITSA-N 1 2 528.657 5.079 40 0 KKABLO Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000225634245 571985849 /nfs/dbraw/zinc/98/58/49/571985849.db2.gz BKFXIEMPTTVFGL-XZWHSSHBSA-N 1 2 538.721 5.556 40 0 KKABLO Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225691219 572026269 /nfs/dbraw/zinc/02/62/69/572026269.db2.gz SASMZNSWRQDDIU-FQLXRVMXSA-N 1 2 524.694 5.248 40 0 KKABLO O=c1sc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225787021 572068196 /nfs/dbraw/zinc/06/81/96/572068196.db2.gz AFGHWAHOYXIOBL-UHFFFAOYSA-N 1 2 590.170 5.861 40 0 KKABLO CC(C)(C)c1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc(C(C)(C)C)c1O ZINC000261362586 572104209 /nfs/dbraw/zinc/10/42/09/572104209.db2.gz LTOUORPRSBQJGA-HHHXNRCGSA-O 1 2 527.714 6.702 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)ccc1OCc1ccccc1 ZINC000261363034 572104725 /nfs/dbraw/zinc/10/47/25/572104725.db2.gz OWHHYBDTJRLAKH-SANMLTNESA-O 1 2 564.485 5.504 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Cl)c1Cl ZINC000261363357 572105201 /nfs/dbraw/zinc/10/52/01/572105201.db2.gz GYGLWBCSLKVNCH-HSZRJFAPSA-O 1 2 504.463 6.029 40 0 KKABLO CCCC(=O)Oc1c(OC)cc(Br)cc1[C@@H]1N(C(=O)CCC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261363154 572105212 /nfs/dbraw/zinc/10/52/12/572105212.db2.gz GFHWUPCHEDNDEC-RUZDIDTESA-O 1 2 588.504 5.029 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)ccc1OCc1ccccc1 ZINC000261363977 572106460 /nfs/dbraw/zinc/10/64/60/572106460.db2.gz IVOOABODXHVTOA-MHZLTWQESA-O 1 2 534.061 5.785 40 0 KKABLO CCCCCCOc1ccccc1[C@@H]1N(C(=O)c2ccccc2)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364106 572106542 /nfs/dbraw/zinc/10/65/42/572106542.db2.gz JHJOFIVXZRKCHM-MUUNZHRXSA-O 1 2 527.670 6.025 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cc(OC)c(O)c(Br)c1Br ZINC000261364685 572106916 /nfs/dbraw/zinc/10/69/16/572106916.db2.gz MYBKAVAXSREOLU-KRWDZBQOSA-O 1 2 620.141 5.223 40 0 KKABLO O=c1[nH]c(SCc2ccccc2F)n[n+]2c1-c1ccccc1N[C@@H]2c1cc(O)ccc1Br ZINC000261364962 572107363 /nfs/dbraw/zinc/10/73/63/572107363.db2.gz OYZYDCMIKVRMLU-NRFANRHFSA-O 1 2 512.384 5.009 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000261365623 572107978 /nfs/dbraw/zinc/10/79/78/572107978.db2.gz UGJSTKLNWYVURX-RUZDIDTESA-O 1 2 541.575 6.221 40 0 KKABLO CCOc1ccc2ccccc2c1[C@H]1N(C(=O)c2ccccc2)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261365688 572108083 /nfs/dbraw/zinc/10/80/83/572108083.db2.gz UPSIUSIWZRZGDY-NDEPHWFRSA-O 1 2 521.622 5.618 40 0 KKABLO CCOC(=O)c1ccc(-c2ccc([C@@H]3N(C(C)=O)c4ccccc4-c4c(=O)[nH]c(SCc5ccccc5)n[n+]43)o2)cc1 ZINC000261365418 572108098 /nfs/dbraw/zinc/10/80/98/572108098.db2.gz SCXQFRKCRMALCU-SSEXGKCCSA-O 1 2 579.658 5.779 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cccc(OC)c1OCc1ccccc1 ZINC000261366060 572108317 /nfs/dbraw/zinc/10/83/17/572108317.db2.gz XEAJTLPDKWKLNV-MUUNZHRXSA-O 1 2 529.642 5.140 40 0 KKABLO Cc1ccc(CSc2n[n+]3c(c(=O)[nH]2)-c2ccccc2N[C@@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000261366306 572109124 /nfs/dbraw/zinc/10/91/24/572109124.db2.gz YRXSSFJQEJFUPK-NDEPHWFRSA-O 1 2 541.741 7.010 40 0 KKABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2Cl)c(C)c1 ZINC000408546274 572222678 /nfs/dbraw/zinc/22/26/78/572222678.db2.gz DHFRXERRKYSAFT-UHFFFAOYSA-N 1 2 574.146 6.305 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cccc(OC)c2OCc2ccc(Cl)cc2)c(OC)cc1Cl ZINC000408554946 572242348 /nfs/dbraw/zinc/24/23/48/572242348.db2.gz GMBWQKBCBGGJSQ-AREMUKBSSA-N 1 2 596.471 5.770 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccccc2OCc2ccc(Cl)cc2)c(OC)cc1Cl ZINC000408556746 572244291 /nfs/dbraw/zinc/24/42/91/572244291.db2.gz LHWUHCFKOPGXHG-SANMLTNESA-N 1 2 566.445 5.762 40 0 KKABLO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408575744 572260662 /nfs/dbraw/zinc/26/06/62/572260662.db2.gz QGGTYTKPCXXYIS-JLHYYAGUSA-N 1 2 567.711 5.532 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cccc(Cl)c2Cl)cc1 ZINC000408577307 572261874 /nfs/dbraw/zinc/26/18/74/572261874.db2.gz YAQHVLRJMHUVQS-RMKNXTFCSA-N 1 2 558.531 5.355 40 0 KKABLO O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408610710 572276377 /nfs/dbraw/zinc/27/63/77/572276377.db2.gz VJSBSJLDZIWCPN-VMPITWQZSA-N 1 2 594.055 5.396 40 0 KKABLO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408617550 572279568 /nfs/dbraw/zinc/27/95/68/572279568.db2.gz COTFDKSAZQRLCQ-JXMROGBWSA-N 1 2 558.531 5.042 40 0 KKABLO O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408619233 572280496 /nfs/dbraw/zinc/28/04/96/572280496.db2.gz GTFAZPMSWHGXFG-KPKJPENVSA-N 1 2 572.558 5.084 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2C)cc1 ZINC000408623881 572282875 /nfs/dbraw/zinc/28/28/75/572282875.db2.gz ZWVWOJYPLZIKMH-RMKNXTFCSA-N 1 2 538.113 5.010 40 0 KKABLO CSc1nc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c(N2CCCCC2)n1 ZINC000408635898 572292793 /nfs/dbraw/zinc/29/27/93/572292793.db2.gz JELMYTRQAWVPET-UHFFFAOYSA-N 1 2 543.762 5.951 40 0 KKABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500476 572294313 /nfs/dbraw/zinc/29/43/13/572294313.db2.gz QANBNVHNDPMCTR-XNMGPUDCSA-N 1 2 500.647 5.122 40 0 KKABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500476 572294315 /nfs/dbraw/zinc/29/43/15/572294315.db2.gz QANBNVHNDPMCTR-XNMGPUDCSA-N 1 2 500.647 5.122 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3nc4ccc(Cl)cc4s3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257203181 572306578 /nfs/dbraw/zinc/30/65/78/572306578.db2.gz AOYRZUVKNGNWRI-UHFFFAOYSA-N 1 2 565.136 5.373 40 0 KKABLO Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC4(CC3)CN(S(=O)(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)CO4)c2)cs1 ZINC000257230774 572309346 /nfs/dbraw/zinc/30/93/46/572309346.db2.gz GDWUFEYBRIQUFZ-SSEXGKCCSA-N 1 2 630.836 5.532 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4cccc5ccccc54)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257233600 572309612 /nfs/dbraw/zinc/30/96/12/572309612.db2.gz GPWZBJGJJNOANN-SUYBVONHSA-N 1 2 549.737 5.057 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4cccc5ccccc54)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257233600 572309614 /nfs/dbraw/zinc/30/96/14/572309614.db2.gz GPWZBJGJJNOANN-SUYBVONHSA-N 1 2 549.737 5.057 40 0 KKABLO O=C(C[NH+]1CCC(c2cccc(Nc3ncccc3OCc3ccccc3)n2)CC1)Nc1ccccc1F ZINC000257300621 572315850 /nfs/dbraw/zinc/31/58/50/572315850.db2.gz RVCPLRLODNISMC-UHFFFAOYSA-N 1 2 511.601 5.756 40 0 KKABLO Cc1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)n2)n[nH]1 ZINC000257302758 572316132 /nfs/dbraw/zinc/31/61/32/572316132.db2.gz SEFVUKXVDXRHIE-UHFFFAOYSA-N 1 2 613.138 5.196 40 0 KKABLO COc1ccc(-c2s/c(=N\c3ccccc3)n(CCC[NH+]3CCOCC3)c2-c2ccc(OC)cc2)cc1 ZINC000103782687 1069712358 /nfs/dbraw/zinc/71/23/58/1069712358.db2.gz WTMQIDAFMASYID-KTMFPKCZSA-N 1 2 515.679 5.856 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408994370 1070370727 /nfs/dbraw/zinc/37/07/27/1070370727.db2.gz ZCJWUQXZFVUVRP-JOCHJYFZSA-N 1 2 506.455 5.820 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589912 1070930767 /nfs/dbraw/zinc/93/07/67/1070930767.db2.gz AFQLCWMWVKJBCF-PJSZEURISA-N 1 2 560.631 5.655 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589912 1070930782 /nfs/dbraw/zinc/93/07/82/1070930782.db2.gz AFQLCWMWVKJBCF-PJSZEURISA-N 1 2 560.631 5.655 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103538644 1070934116 /nfs/dbraw/zinc/93/41/16/1070934116.db2.gz WPGGYJUEXCAPOP-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103538644 1070934126 /nfs/dbraw/zinc/93/41/26/1070934126.db2.gz WPGGYJUEXCAPOP-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000408927133 1071069696 /nfs/dbraw/zinc/06/96/96/1071069696.db2.gz SSYLTTOEMJKXSJ-UHFFFAOYSA-N 1 2 584.742 5.375 40 0 KKABLO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408920639 1071100052 /nfs/dbraw/zinc/10/00/52/1071100052.db2.gz LEGKZDJLBPKWQP-UHFFFAOYSA-N 1 2 521.730 6.857 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408920254 1071106602 /nfs/dbraw/zinc/10/66/02/1071106602.db2.gz DFIHBPIJZFZNTP-UHFFFAOYSA-N 1 2 590.749 6.211 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408920254 1071106625 /nfs/dbraw/zinc/10/66/25/1071106625.db2.gz DFIHBPIJZFZNTP-UHFFFAOYSA-N 1 2 590.749 6.211 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCC(=O)c4ccc(C5CCCCC5)cc4)sc3c2)CC1 ZINC000408749709 1071681587 /nfs/dbraw/zinc/68/15/87/1071681587.db2.gz SBLGRXHMKVPNAI-UHFFFAOYSA-N 1 2 612.821 6.959 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCC(=O)c4ccc(Br)cc4)sc3c2)CC1 ZINC000408749753 1071682287 /nfs/dbraw/zinc/68/22/87/1071682287.db2.gz SYFNCJDXGRDZKV-UHFFFAOYSA-N 1 2 609.571 5.674 40 0 KKABLO COc1cc([C@H](CC(=O)NC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138638 1073179614 /nfs/dbraw/zinc/17/96/14/1073179614.db2.gz OPKKDAJVWIYHHZ-HVNZXBJASA-N 1 2 768.908 6.785 40 0 KKABLO COc1ccc([C@@H](CC(=O)NCCCn2cc[nH+]c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547206027 1073190520 /nfs/dbraw/zinc/19/05/20/1073190520.db2.gz HJLDEIQUVYAZEP-NEKDWFFYSA-N 1 2 603.716 5.513 40 0 KKABLO COc1ccc(C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000008657248 1073202628 /nfs/dbraw/zinc/20/26/28/1073202628.db2.gz CNXLWFZKEWVMSO-LFVJCYFKSA-N 1 2 539.419 5.436 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375152 551656203 /nfs/dbraw/zinc/65/62/03/551656203.db2.gz WSYJOUTXLWXOJJ-AREMUKBSSA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375152 551656206 /nfs/dbraw/zinc/65/62/06/551656206.db2.gz WSYJOUTXLWXOJJ-AREMUKBSSA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375483 551657382 /nfs/dbraw/zinc/65/73/82/551657382.db2.gz CFUKTELDAKTGPP-AREMUKBSSA-N 1 2 554.626 5.201 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375483 551657385 /nfs/dbraw/zinc/65/73/85/551657385.db2.gz CFUKTELDAKTGPP-AREMUKBSSA-N 1 2 554.626 5.201 40 0 KKABLO Cc1ccccc1-c1cc(N2CC[NH2+]CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001549226 551684005 /nfs/dbraw/zinc/68/40/05/551684005.db2.gz SRVSDBHUBFLSFE-UHFFFAOYSA-N 1 2 564.574 6.445 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000002372791 552105624 /nfs/dbraw/zinc/10/56/24/552105624.db2.gz KJMJZULSXYHGRT-MIPYOGIXSA-N 1 2 526.592 5.535 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000002372791 552105627 /nfs/dbraw/zinc/10/56/27/552105627.db2.gz KJMJZULSXYHGRT-MIPYOGIXSA-N 1 2 526.592 5.535 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149064 552549578 /nfs/dbraw/zinc/54/95/78/552549578.db2.gz BVQODRJDTVJZCH-MUUNZHRXSA-N 1 2 540.737 6.172 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149064 552549582 /nfs/dbraw/zinc/54/95/82/552549582.db2.gz BVQODRJDTVJZCH-MUUNZHRXSA-N 1 2 540.737 6.172 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149174 552549930 /nfs/dbraw/zinc/54/99/30/552549930.db2.gz IFCIVEBTISUXTM-HHHXNRCGSA-N 1 2 542.709 5.564 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149174 552549931 /nfs/dbraw/zinc/54/99/31/552549931.db2.gz IFCIVEBTISUXTM-HHHXNRCGSA-N 1 2 542.709 5.564 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149300 552550271 /nfs/dbraw/zinc/55/02/71/552550271.db2.gz YWZUEMNGIGIHNL-GDLZYMKVSA-N 1 2 538.671 5.942 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149300 552550276 /nfs/dbraw/zinc/55/02/76/552550276.db2.gz YWZUEMNGIGIHNL-GDLZYMKVSA-N 1 2 538.671 5.942 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198342 552570236 /nfs/dbraw/zinc/57/02/36/552570236.db2.gz VSAPGQCVSURUKC-WJOKGBTCSA-N 1 2 548.691 5.178 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006282571 552577761 /nfs/dbraw/zinc/57/77/61/552577761.db2.gz KBTJHZWHVVVOHT-PMERELPUSA-N 1 2 534.664 5.473 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006282571 552577762 /nfs/dbraw/zinc/57/77/62/552577762.db2.gz KBTJHZWHVVVOHT-PMERELPUSA-N 1 2 534.664 5.473 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006300864 552580185 /nfs/dbraw/zinc/58/01/85/552580185.db2.gz KFSVAAWRHKGBMF-PMERELPUSA-N 1 2 518.665 5.224 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006322180 552581452 /nfs/dbraw/zinc/58/14/52/552581452.db2.gz HUFWBBCCDBNVSB-PMERELPUSA-N 1 2 536.655 5.363 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006322082 552581523 /nfs/dbraw/zinc/58/15/23/552581523.db2.gz NBHUCZSEIPQUTQ-LJAQVGFWSA-N 1 2 510.686 5.681 40 0 KKABLO COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000012880677 553425418 /nfs/dbraw/zinc/42/54/18/553425418.db2.gz JMHIBKQWTYJGPN-SSEXGKCCSA-N 1 2 510.638 5.182 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494726 553460303 /nfs/dbraw/zinc/46/03/03/553460303.db2.gz MCQOOGRHZCZLAQ-MHZLTWQESA-N 1 2 500.647 5.572 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494726 553460304 /nfs/dbraw/zinc/46/03/04/553460304.db2.gz MCQOOGRHZCZLAQ-MHZLTWQESA-N 1 2 500.647 5.572 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494647 553460315 /nfs/dbraw/zinc/46/03/15/553460315.db2.gz GJBOAYCQABSHEN-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494647 553460316 /nfs/dbraw/zinc/46/03/16/553460316.db2.gz GJBOAYCQABSHEN-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000013494734 553460388 /nfs/dbraw/zinc/46/03/88/553460388.db2.gz DWEQOMCOOQNBTC-MUUNZHRXSA-N 1 2 526.616 5.254 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000013494734 553460389 /nfs/dbraw/zinc/46/03/89/553460389.db2.gz DWEQOMCOOQNBTC-MUUNZHRXSA-N 1 2 526.616 5.254 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495189 553461629 /nfs/dbraw/zinc/46/16/29/553461629.db2.gz SSLRNGZZTIOITD-AREMUKBSSA-N 1 2 518.662 5.221 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495189 553461630 /nfs/dbraw/zinc/46/16/30/553461630.db2.gz SSLRNGZZTIOITD-AREMUKBSSA-N 1 2 518.662 5.221 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495193 553461641 /nfs/dbraw/zinc/46/16/41/553461641.db2.gz XMXPYYPEALHERM-HHHXNRCGSA-N 1 2 516.646 5.191 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495193 553461642 /nfs/dbraw/zinc/46/16/42/553461642.db2.gz XMXPYYPEALHERM-HHHXNRCGSA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495253 553461993 /nfs/dbraw/zinc/46/19/93/553461993.db2.gz GDLBYLOZEXMTRV-VWLOTQADSA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495253 553461994 /nfs/dbraw/zinc/46/19/94/553461994.db2.gz GDLBYLOZEXMTRV-VWLOTQADSA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495780 553462544 /nfs/dbraw/zinc/46/25/44/553462544.db2.gz HLCOZNCBTOPDLJ-AREMUKBSSA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495780 553462546 /nfs/dbraw/zinc/46/25/46/553462546.db2.gz HLCOZNCBTOPDLJ-AREMUKBSSA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495763 553462613 /nfs/dbraw/zinc/46/26/13/553462613.db2.gz DPKIWBQDMRQJON-SANMLTNESA-N 1 2 514.655 5.095 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495763 553462615 /nfs/dbraw/zinc/46/26/15/553462615.db2.gz DPKIWBQDMRQJON-SANMLTNESA-N 1 2 514.655 5.095 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500974 553466563 /nfs/dbraw/zinc/46/65/63/553466563.db2.gz SJXRJPBOGFXTBR-AREMUKBSSA-N 1 2 520.703 6.024 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500974 553466564 /nfs/dbraw/zinc/46/65/64/553466564.db2.gz SJXRJPBOGFXTBR-AREMUKBSSA-N 1 2 520.703 6.024 40 0 KKABLO O=C(c1cc(-c2ccccc2)oc1-c1ccccc1)[C@@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366005 553614174 /nfs/dbraw/zinc/61/41/74/553614174.db2.gz JTEKZAXKTZZNNV-FIRIVFDPSA-N 1 2 522.645 5.571 40 0 KKABLO CCc1cc([C@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccn3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218711 553614348 /nfs/dbraw/zinc/61/43/48/553614348.db2.gz ONYOPBHJGYQPEJ-NDEPHWFRSA-N 1 2 512.679 5.878 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941322 553643416 /nfs/dbraw/zinc/64/34/16/553643416.db2.gz QRMQBSXBUVBVRB-HKBQPEDESA-N 1 2 532.692 6.163 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941322 553643419 /nfs/dbraw/zinc/64/34/19/553643419.db2.gz QRMQBSXBUVBVRB-HKBQPEDESA-N 1 2 532.692 6.163 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc12 ZINC000020079500 553676670 /nfs/dbraw/zinc/67/66/70/553676670.db2.gz PRGANPYYINHVKI-HKBQPEDESA-N 1 2 532.692 6.081 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc12 ZINC000020079500 553676673 /nfs/dbraw/zinc/67/66/73/553676673.db2.gz PRGANPYYINHVKI-HKBQPEDESA-N 1 2 532.692 6.081 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc12 ZINC000020079497 553676679 /nfs/dbraw/zinc/67/66/79/553676679.db2.gz PRGANPYYINHVKI-WJOKGBTCSA-N 1 2 532.692 6.081 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc12 ZINC000020079497 553676681 /nfs/dbraw/zinc/67/66/81/553676681.db2.gz PRGANPYYINHVKI-WJOKGBTCSA-N 1 2 532.692 6.081 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000020082928 553682980 /nfs/dbraw/zinc/68/29/80/553682980.db2.gz GQMUWHHMAIJSEM-NDEPHWFRSA-N 1 2 524.694 5.834 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000020082928 553682983 /nfs/dbraw/zinc/68/29/83/553682983.db2.gz GQMUWHHMAIJSEM-NDEPHWFRSA-N 1 2 524.694 5.834 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(C)c4OC)cc3n2)cc1 ZINC000022826139 553753093 /nfs/dbraw/zinc/75/30/93/553753093.db2.gz FFVYDYPJEXULTD-UHFFFAOYSA-N 1 2 502.644 5.019 40 0 KKABLO CCCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1 ZINC000022841522 553758782 /nfs/dbraw/zinc/75/87/82/553758782.db2.gz IJAYYLRHMMGZDQ-UHFFFAOYSA-N 1 2 516.671 5.491 40 0 KKABLO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000097955242 553830189 /nfs/dbraw/zinc/83/01/89/553830189.db2.gz YCCPIQFTOOLLBA-BCAGLNGWSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000097955242 553830191 /nfs/dbraw/zinc/83/01/91/553830191.db2.gz YCCPIQFTOOLLBA-BCAGLNGWSA-N 1 2 532.427 5.316 40 0 KKABLO CCc1cc([C@@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054350359 554349528 /nfs/dbraw/zinc/34/95/28/554349528.db2.gz DVJZDEPMAXAHOT-MUUNZHRXSA-N 1 2 516.110 7.128 40 0 KKABLO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000100367985 554354241 /nfs/dbraw/zinc/35/42/41/554354241.db2.gz MHINEXFANKAHER-UHFFFAOYSA-N 1 2 530.324 6.263 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000100372093 554357358 /nfs/dbraw/zinc/35/73/58/554357358.db2.gz MLGLHJGQKUVILU-MUUNZHRXSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000100372093 554357362 /nfs/dbraw/zinc/35/73/62/554357362.db2.gz MLGLHJGQKUVILU-MUUNZHRXSA-N 1 2 540.643 5.481 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057589771 554357768 /nfs/dbraw/zinc/35/77/68/554357768.db2.gz WORPZRXCQDBXFA-AREMUKBSSA-N 1 2 500.622 5.294 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057589771 554357773 /nfs/dbraw/zinc/35/77/73/554357773.db2.gz WORPZRXCQDBXFA-AREMUKBSSA-N 1 2 500.622 5.294 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372525 554357895 /nfs/dbraw/zinc/35/78/95/554357895.db2.gz VAQJJHPNKOQMQW-NDEPHWFRSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372525 554357898 /nfs/dbraw/zinc/35/78/98/554357898.db2.gz VAQJJHPNKOQMQW-NDEPHWFRSA-N 1 2 540.643 5.481 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057594821 554358095 /nfs/dbraw/zinc/35/80/95/554358095.db2.gz KUAOAFIKEXJXPJ-MHZLTWQESA-N 1 2 514.605 5.046 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057594821 554358098 /nfs/dbraw/zinc/35/80/98/554358098.db2.gz KUAOAFIKEXJXPJ-MHZLTWQESA-N 1 2 514.605 5.046 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640734 554361111 /nfs/dbraw/zinc/36/11/11/554361111.db2.gz RTYQWKJAVMJLIQ-RUZDIDTESA-N 1 2 514.630 5.210 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640734 554361108 /nfs/dbraw/zinc/36/11/08/554361108.db2.gz RTYQWKJAVMJLIQ-RUZDIDTESA-N 1 2 514.630 5.210 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640949 554361344 /nfs/dbraw/zinc/36/13/44/554361344.db2.gz MAYMIJACVDLESH-HHHXNRCGSA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640949 554361348 /nfs/dbraw/zinc/36/13/48/554361348.db2.gz MAYMIJACVDLESH-HHHXNRCGSA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640939 554361513 /nfs/dbraw/zinc/36/15/13/554361513.db2.gz BNQLCFIECJOJKO-AREMUKBSSA-N 1 2 504.610 5.321 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640939 554361516 /nfs/dbraw/zinc/36/15/16/554361516.db2.gz BNQLCFIECJOJKO-AREMUKBSSA-N 1 2 504.610 5.321 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641292 554361782 /nfs/dbraw/zinc/36/17/82/554361782.db2.gz HKARTVZIFGNQFG-HSZRJFAPSA-N 1 2 520.659 5.006 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641292 554361784 /nfs/dbraw/zinc/36/17/84/554361784.db2.gz HKARTVZIFGNQFG-HSZRJFAPSA-N 1 2 520.659 5.006 40 0 KKABLO Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc([C@@H]3C(=O)N(C)CC[N@@H+]3C)cc2)n1 ZINC000059185874 554384118 /nfs/dbraw/zinc/38/41/18/554384118.db2.gz CDOOFZZILLRUQH-GDLZYMKVSA-N 1 2 596.757 5.137 40 0 investigational KKABLO Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc([C@@H]3C(=O)N(C)CC[N@H+]3C)cc2)n1 ZINC000059185874 554384122 /nfs/dbraw/zinc/38/41/22/554384122.db2.gz CDOOFZZILLRUQH-GDLZYMKVSA-N 1 2 596.757 5.137 40 0 investigational KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)cc3n2)c(C)c1 ZINC000059331617 554389982 /nfs/dbraw/zinc/38/99/82/554389982.db2.gz CXXYSSYISIOKAZ-UHFFFAOYSA-N 1 2 530.698 5.798 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc5ccccc54)cc3n2)c(C)c1 ZINC000059331621 554390025 /nfs/dbraw/zinc/39/00/25/554390025.db2.gz UXEXIMQKXOYLIX-UHFFFAOYSA-N 1 2 522.678 6.164 40 0 KKABLO S=c1n(C[NH+]2CCC(c3ccccc3)CC2)nc(-c2cccc(Br)c2)n1-c1ccccc1 ZINC000059474559 554396756 /nfs/dbraw/zinc/39/67/56/554396756.db2.gz ALDOIYILYWQXBA-UHFFFAOYSA-N 1 2 505.485 6.670 40 0 KKABLO O=C(C[C@H](c1ccccc1)[NH+]1CCN([C@@H](CC(=O)c2ccc(F)cc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000059662479 554420573 /nfs/dbraw/zinc/42/05/73/554420573.db2.gz IAJIYVYKANKEHQ-MEKGRNQZSA-N 1 2 538.638 6.911 40 0 KKABLO O=C(C[C@H](c1ccccc1)N1CC[NH+]([C@@H](CC(=O)c2ccc(F)cc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000059662479 554420569 /nfs/dbraw/zinc/42/05/69/554420569.db2.gz IAJIYVYKANKEHQ-MEKGRNQZSA-N 1 2 538.638 6.911 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059924277 554475053 /nfs/dbraw/zinc/47/50/53/554475053.db2.gz XLJUPVWECQJLPQ-UHFFFAOYSA-N 1 2 563.001 5.365 40 0 KKABLO O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000060016246 554486967 /nfs/dbraw/zinc/48/69/67/554486967.db2.gz SXULVDPUEJNWSP-UHFFFAOYSA-N 1 2 548.974 5.056 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000064019790 554510492 /nfs/dbraw/zinc/51/04/92/554510492.db2.gz APGPFMWEWCRIEW-NEWJYFPISA-N 1 2 504.373 5.148 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000064019790 554510490 /nfs/dbraw/zinc/51/04/90/554510490.db2.gz APGPFMWEWCRIEW-NEWJYFPISA-N 1 2 504.373 5.148 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101064604 554572507 /nfs/dbraw/zinc/57/25/07/554572507.db2.gz HHXFUJSDCGISHF-SZRJYABBSA-N 1 2 576.450 5.826 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101064604 554572508 /nfs/dbraw/zinc/57/25/08/554572508.db2.gz HHXFUJSDCGISHF-SZRJYABBSA-N 1 2 576.450 5.826 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000102811964 555075096 /nfs/dbraw/zinc/07/50/96/555075096.db2.gz LKLZRYIWPSGWBV-SSVAKIOMSA-N 1 2 518.400 5.008 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000102811964 555075098 /nfs/dbraw/zinc/07/50/98/555075098.db2.gz LKLZRYIWPSGWBV-SSVAKIOMSA-N 1 2 518.400 5.008 40 0 KKABLO CCCCc1[nH+]c2ccccc2n1CC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000103137007 555307192 /nfs/dbraw/zinc/30/71/92/555307192.db2.gz YVQOYMBTESRJIB-AZWXOIEDSA-N 1 2 538.642 7.480 40 0 KKABLO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000103522436 555427021 /nfs/dbraw/zinc/42/70/21/555427021.db2.gz GLLHIFQTIAZWGQ-JTVNFJCOSA-N 1 2 566.872 5.970 40 0 KKABLO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000103522436 555427022 /nfs/dbraw/zinc/42/70/22/555427022.db2.gz GLLHIFQTIAZWGQ-JTVNFJCOSA-N 1 2 566.872 5.970 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1F ZINC000103523047 555427186 /nfs/dbraw/zinc/42/71/86/555427186.db2.gz BJBLNPCNODJRDX-SPOCJGCTSA-N 1 2 558.609 6.124 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1F ZINC000103523047 555427189 /nfs/dbraw/zinc/42/71/89/555427189.db2.gz BJBLNPCNODJRDX-SPOCJGCTSA-N 1 2 558.609 6.124 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000103525268 555427906 /nfs/dbraw/zinc/42/79/06/555427906.db2.gz ZNIIHSNEHDTJTD-RWLYWVGSSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000103525268 555427909 /nfs/dbraw/zinc/42/79/09/555427909.db2.gz ZNIIHSNEHDTJTD-RWLYWVGSSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)cc1OC ZINC000103526205 555428399 /nfs/dbraw/zinc/42/83/99/555428399.db2.gz WUAODBBQPJEWPB-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)cc1OC ZINC000103526205 555428402 /nfs/dbraw/zinc/42/84/02/555428402.db2.gz WUAODBBQPJEWPB-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000103526773 555428724 /nfs/dbraw/zinc/42/87/24/555428724.db2.gz LMOZLHGQLLMZBV-GGVMLGSCSA-N 1 2 579.027 6.469 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000103526773 555428726 /nfs/dbraw/zinc/42/87/26/555428726.db2.gz LMOZLHGQLLMZBV-GGVMLGSCSA-N 1 2 579.027 6.469 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103532160 555432440 /nfs/dbraw/zinc/43/24/40/555432440.db2.gz QHQGFFQVGDYKFW-USLVXBFWSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103532160 555432444 /nfs/dbraw/zinc/43/24/44/555432444.db2.gz QHQGFFQVGDYKFW-USLVXBFWSA-N 1 2 614.654 5.611 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000103537192 555436616 /nfs/dbraw/zinc/43/66/16/555436616.db2.gz SGVWOOUXZZGSKK-DZDVJMQSSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000103537192 555436621 /nfs/dbraw/zinc/43/66/21/555436621.db2.gz SGVWOOUXZZGSKK-DZDVJMQSSA-N 1 2 565.456 6.975 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1Br ZINC000103544744 555440125 /nfs/dbraw/zinc/44/01/25/555440125.db2.gz GLCDHFYSOJXWLM-NIKYWZLZSA-N 1 2 605.488 6.439 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1Br ZINC000103544744 555440128 /nfs/dbraw/zinc/44/01/28/555440128.db2.gz GLCDHFYSOJXWLM-NIKYWZLZSA-N 1 2 605.488 6.439 40 0 KKABLO COc1ccc([C@@H]([NH2+]Cc2ccccc2)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000103616180 555456164 /nfs/dbraw/zinc/45/61/64/555456164.db2.gz MTRCMXSXBNSWIM-MUHROMGBSA-N 1 2 583.794 9.632 40 0 KKABLO COc1ccc([C@@H]([NH2+]Cc2ccccc2)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000103616180 555456168 /nfs/dbraw/zinc/45/61/68/555456168.db2.gz MTRCMXSXBNSWIM-MUHROMGBSA-N 1 2 583.794 9.632 40 0 KKABLO COc1ccc([C@@H]([NH2+]Cc2ccccc2)P(=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000103616176 555456189 /nfs/dbraw/zinc/45/61/89/555456189.db2.gz MTRCMXSXBNSWIM-KQWIOBDYSA-N 1 2 583.794 9.632 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287978 571361458 /nfs/dbraw/zinc/36/14/58/571361458.db2.gz FRFQVSQWJGZNEN-OSZGUBSQSA-N 1 2 614.698 6.474 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287978 571361460 /nfs/dbraw/zinc/36/14/60/571361460.db2.gz FRFQVSQWJGZNEN-OSZGUBSQSA-N 1 2 614.698 6.474 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccn3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288134 571361501 /nfs/dbraw/zinc/36/15/01/571361501.db2.gz NZTUBLJDNCPHMP-GYEXEWKGSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccn3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288134 571361503 /nfs/dbraw/zinc/36/15/03/571361503.db2.gz NZTUBLJDNCPHMP-GYEXEWKGSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccccn3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288134 571361505 /nfs/dbraw/zinc/36/15/05/571361505.db2.gz NZTUBLJDNCPHMP-GYEXEWKGSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccccn3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288134 571361506 /nfs/dbraw/zinc/36/15/06/571361506.db2.gz NZTUBLJDNCPHMP-GYEXEWKGSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288016 571361640 /nfs/dbraw/zinc/36/16/40/571361640.db2.gz INUYKDTWZDTVGN-XKEBTDTJSA-N 1 2 572.636 6.596 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288016 571361641 /nfs/dbraw/zinc/36/16/41/571361641.db2.gz INUYKDTWZDTVGN-XKEBTDTJSA-N 1 2 572.636 6.596 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000104099319 571373779 /nfs/dbraw/zinc/37/37/79/571373779.db2.gz VHSJHNMGXXIYGX-ACZXLBTNSA-N 1 2 570.601 5.406 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000104099319 571373780 /nfs/dbraw/zinc/37/37/80/571373780.db2.gz VHSJHNMGXXIYGX-ACZXLBTNSA-N 1 2 570.601 5.406 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1OC ZINC000104104152 571374010 /nfs/dbraw/zinc/37/40/10/571374010.db2.gz FCBSZUIEBFRWOV-MIARMAKKSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1OC ZINC000104104152 571374011 /nfs/dbraw/zinc/37/40/11/571374011.db2.gz FCBSZUIEBFRWOV-MIARMAKKSA-N 1 2 574.608 5.825 40 0 KKABLO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000104132265 571374555 /nfs/dbraw/zinc/37/45/55/571374555.db2.gz GZBQTBKLJFKHPL-HQMQMYHNSA-N 1 2 575.020 6.050 40 0 KKABLO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000104132265 571374557 /nfs/dbraw/zinc/37/45/57/571374557.db2.gz GZBQTBKLJFKHPL-HQMQMYHNSA-N 1 2 575.020 6.050 40 0 KKABLO O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000104406425 571380889 /nfs/dbraw/zinc/38/08/89/571380889.db2.gz DRTVWGHGSKWTEH-UHFFFAOYSA-N 1 2 551.712 5.376 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)cc1 ZINC000105026071 571389758 /nfs/dbraw/zinc/38/97/58/571389758.db2.gz JUYOUFGBSMHXBF-UHFFFAOYSA-N 1 2 564.715 6.281 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 ZINC000105025993 571389779 /nfs/dbraw/zinc/38/97/79/571389779.db2.gz CKVDRXGZFRYQDY-UHFFFAOYSA-N 1 2 557.507 6.017 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4I)cc3n2)cc1 ZINC000105025985 571389795 /nfs/dbraw/zinc/38/97/95/571389795.db2.gz FPPSITTYWDQOAZ-UHFFFAOYSA-N 1 2 584.487 5.307 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)cc1 ZINC000105313850 571398106 /nfs/dbraw/zinc/39/81/06/571398106.db2.gz JLTJKOCBHCADDK-UHFFFAOYSA-N 1 2 593.540 7.269 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000105314091 571398212 /nfs/dbraw/zinc/39/82/12/571398212.db2.gz ZRHVUHGSHBKBGV-NTEUORMPSA-N 1 2 533.101 6.063 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1 ZINC000105354853 571404179 /nfs/dbraw/zinc/40/41/79/571404179.db2.gz YLWCZYDLYBQXGX-UHFFFAOYSA-N 1 2 536.474 6.134 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000108524521 571426197 /nfs/dbraw/zinc/42/61/97/571426197.db2.gz SVDUGPPDCALLSJ-UHFFFAOYSA-N 1 2 552.071 6.284 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1F)c1ccc(Cl)cc1Cl ZINC000113511151 571439390 /nfs/dbraw/zinc/43/93/90/571439390.db2.gz BTSKBVZPUFCGHF-UHFFFAOYSA-N 1 2 598.527 6.481 40 0 KKABLO Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000138935185 571452550 /nfs/dbraw/zinc/45/25/50/571452550.db2.gz VNOFWBNGJKBUEI-UHFFFAOYSA-N 1 2 515.835 5.595 40 0 KKABLO CCOC(=O)CC[C@@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC ZINC000150382594 571467260 /nfs/dbraw/zinc/46/72/60/571467260.db2.gz HXQMEXBMQABZTD-GSFSDPDBSA-N 1 2 791.026 9.053 40 0 KKABLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382635 571467347 /nfs/dbraw/zinc/46/73/47/571467347.db2.gz QMRLLTMNQJHCEC-KKMSLZIYSA-N 1 2 704.936 8.730 40 0 KKABLO COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382719 571467420 /nfs/dbraw/zinc/46/74/20/571467420.db2.gz RCLCCSBHNWZHCK-NDOUMJCMSA-N 1 2 732.990 9.366 40 0 KKABLO COC(=O)C[C@@H](NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC ZINC000150382729 571467477 /nfs/dbraw/zinc/46/74/77/571467477.db2.gz VPWTVPSLIDITOX-HLFYWILQSA-N 1 2 748.945 7.883 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)c(C)c1 ZINC000161957753 571531835 /nfs/dbraw/zinc/53/18/35/571531835.db2.gz UVWRAFHSCAEELP-NTCAYCPXSA-N 1 2 633.605 7.977 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc2ccccc2c1 ZINC000224645346 571593776 /nfs/dbraw/zinc/59/37/76/571593776.db2.gz VKSZUESFGNDOTO-UHFFFAOYSA-N 1 2 524.617 5.504 40 0 KKABLO CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000225137188 571650846 /nfs/dbraw/zinc/65/08/46/571650846.db2.gz VUPYKHVPJCANJK-WUFINQPMSA-N 1 2 559.139 6.363 40 0 KKABLO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1OC ZINC000225193495 571656528 /nfs/dbraw/zinc/65/65/28/571656528.db2.gz ZCVDIQHGGFCXHJ-URLMMPGGSA-N 1 2 540.693 5.473 40 0 KKABLO O=C(c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225268220 571664657 /nfs/dbraw/zinc/66/46/57/571664657.db2.gz WQKPFSZSQGFJTI-UHFFFAOYSA-N 1 2 507.037 6.431 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225375954 571742637 /nfs/dbraw/zinc/74/26/37/571742637.db2.gz YUPKGVCIAOWFDE-KYJUHHDHSA-N 1 2 523.706 6.437 40 0 KKABLO CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225554883 571916833 /nfs/dbraw/zinc/91/68/33/571916833.db2.gz BMJOYUZGVCQMOF-IHLOFXLRSA-N 1 2 538.721 5.502 40 0 KKABLO CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225554918 571916984 /nfs/dbraw/zinc/91/69/84/571916984.db2.gz BMJOYUZGVCQMOF-XZWHSSHBSA-N 1 2 538.721 5.502 40 0 KKABLO Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225576010 571935725 /nfs/dbraw/zinc/93/57/25/571935725.db2.gz BRMKDVPFVUHUCB-URLMMPGGSA-N 1 2 524.694 5.248 40 0 KKABLO O=C1c2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H](c2ccc(Br)cc2)N1CCCn1cc[nH+]c1 ZINC000225701068 572032159 /nfs/dbraw/zinc/03/21/59/572032159.db2.gz WBTRUQGSTZSFSK-NDEPHWFRSA-N 1 2 570.466 6.332 40 0 in-vitro KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000225709678 572039695 /nfs/dbraw/zinc/03/96/95/572039695.db2.gz PFOYYTZUDGIJIH-ACHIHNKUSA-N 1 2 560.727 6.093 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261364081 572106425 /nfs/dbraw/zinc/10/64/25/572106425.db2.gz JCEYWBXVBUQXPJ-SFHVURJKSA-O 1 2 539.273 5.232 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OCC)c1OC ZINC000261364577 572106884 /nfs/dbraw/zinc/10/68/84/572106884.db2.gz MINMLOVGNFWLEN-AREMUKBSSA-O 1 2 509.652 5.130 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000261364711 572106923 /nfs/dbraw/zinc/10/69/23/572106923.db2.gz NCBBHXNHQBAZPQ-GDLZYMKVSA-O 1 2 578.114 6.183 40 0 KKABLO CCOc1c(Br)cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc1OC ZINC000261364546 572106945 /nfs/dbraw/zinc/10/69/45/572106945.db2.gz MBJUJZZYKDTNON-HHHXNRCGSA-O 1 2 628.956 6.166 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261364410 572107031 /nfs/dbraw/zinc/10/70/31/572107031.db2.gz LHWQTIBPMIGMQI-MHZLTWQESA-O 1 2 536.077 6.636 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000261365624 572107775 /nfs/dbraw/zinc/10/77/75/572107775.db2.gz UGJSTKLNWYVURX-VWLOTQADSA-O 1 2 541.575 6.221 40 0 KKABLO CCOc1cc([C@H]2N(C(=O)c3ccccc3)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Cl)c1OCc1ccccc1 ZINC000261365499 572107861 /nfs/dbraw/zinc/10/78/61/572107861.db2.gz STJUZXZLWBFDNE-HKBQPEDESA-O 1 2 612.131 6.697 40 0 KKABLO COc1cc(OC)c([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)c(OC)c1 ZINC000261365944 572108616 /nfs/dbraw/zinc/10/86/16/572108616.db2.gz WJVLKIOHTHJIGC-MHZLTWQESA-O 1 2 566.059 5.022 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(OCCC)ccc2ccccc21 ZINC000261366283 572109208 /nfs/dbraw/zinc/10/92/08/572109208.db2.gz YNKWKMPXIJHUTQ-NDEPHWFRSA-O 1 2 515.659 5.884 40 0 KKABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408558263 572245600 /nfs/dbraw/zinc/24/56/00/572245600.db2.gz SNVRVZLBZFOJAN-RUZDIDTESA-N 1 2 501.974 5.100 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCCCC1 ZINC000408593333 572269107 /nfs/dbraw/zinc/26/91/07/572269107.db2.gz MKEMVQGEJGHNBV-UHFFFAOYSA-N 1 2 532.710 5.190 40 0 KKABLO O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408619408 572280569 /nfs/dbraw/zinc/28/05/69/572280569.db2.gz HTRHJHKCLUZPBN-VMPITWQZSA-N 1 2 592.976 5.695 40 0 KKABLO Cc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408622418 572282017 /nfs/dbraw/zinc/28/20/17/572282017.db2.gz NOTHAPDOCMPMMJ-UHFFFAOYSA-N 1 2 560.119 5.997 40 0 KKABLO O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408624355 572282999 /nfs/dbraw/zinc/28/29/99/572282999.db2.gz SRFDAXZNLPJFGW-VMPITWQZSA-N 1 2 576.521 5.181 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000408625875 572283607 /nfs/dbraw/zinc/28/36/07/572283607.db2.gz YLLVKLMQEUWJHM-VMPITWQZSA-N 1 2 572.558 5.350 40 0 KKABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000408625971 572283639 /nfs/dbraw/zinc/28/36/39/572283639.db2.gz YWIATVPWYAXPBF-VWLOTQADSA-N 1 2 501.974 5.100 40 0 KKABLO O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408629763 572285416 /nfs/dbraw/zinc/28/54/16/572285416.db2.gz HPLUIQFUNZHZKS-JXMROGBWSA-N 1 2 544.504 5.046 40 0 KKABLO CSc1nc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c(N2CCCC2)n1 ZINC000408636348 572293332 /nfs/dbraw/zinc/29/33/32/572293332.db2.gz ORGFGXDOPNAQMO-UHFFFAOYSA-N 1 2 529.735 5.561 40 0 KKABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500535 572294212 /nfs/dbraw/zinc/29/42/12/572294212.db2.gz VIQAPDIHYVQBSY-FTJBHMTQSA-N 1 2 500.647 5.000 40 0 KKABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500535 572294214 /nfs/dbraw/zinc/29/42/14/572294214.db2.gz VIQAPDIHYVQBSY-FTJBHMTQSA-N 1 2 500.647 5.000 40 0 KKABLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@]4(C3)CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)CO4)c2)cs1 ZINC000257207563 572307014 /nfs/dbraw/zinc/30/70/14/572307014.db2.gz BIHYVMXNAIVJKH-ZQAZVOLISA-N 1 2 616.809 5.142 40 0 KKABLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@]4(C3)CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)CO4)c2)cs1 ZINC000257207563 572307016 /nfs/dbraw/zinc/30/70/16/572307016.db2.gz BIHYVMXNAIVJKH-ZQAZVOLISA-N 1 2 616.809 5.142 40 0 KKABLO Cc1sc(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)c4cccc(Cl)c4)C(C)(C)C3)CC2)nc1-c1ccccc1 ZINC000257239179 572310145 /nfs/dbraw/zinc/31/01/45/572310145.db2.gz HOFVYIOWVOVNBJ-UHFFFAOYSA-N 1 2 573.184 5.666 40 0 KKABLO CCn1ccnc1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257310133 572316811 /nfs/dbraw/zinc/31/68/11/572316811.db2.gz UDUPCNZXXJSNJT-GDLZYMKVSA-N 1 2 509.094 5.575 40 0 KKABLO CCn1ccnc1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257310133 572316812 /nfs/dbraw/zinc/31/68/12/572316812.db2.gz UDUPCNZXXJSNJT-GDLZYMKVSA-N 1 2 509.094 5.575 40 0 KKABLO CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408676849 572318800 /nfs/dbraw/zinc/31/88/00/572318800.db2.gz OLYFTVZTHQGASX-UHFFFAOYSA-N 1 2 543.667 6.122 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000257337109 572319645 /nfs/dbraw/zinc/31/96/45/572319645.db2.gz YRKSLRLMMXDMGV-UHFFFAOYSA-N 1 2 544.039 5.253 40 0 KKABLO O=C(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408680049 572320906 /nfs/dbraw/zinc/32/09/06/572320906.db2.gz YCEPCVJYBKKXFA-UHFFFAOYSA-N 1 2 517.604 5.862 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408926798 1071070941 /nfs/dbraw/zinc/07/09/41/1071070941.db2.gz QWUHUJDXFMWTFQ-UHFFFAOYSA-N 1 2 608.686 6.076 40 0 KKABLO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(Cc5ccccc5)CC4)cc3)cc2)c(C)c1 ZINC000408927666 1071192294 /nfs/dbraw/zinc/19/22/94/1071192294.db2.gz YWSOIDURYVPFSE-UHFFFAOYSA-N 1 2 568.743 5.674 40 0 KKABLO COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)cc1 ZINC000408749578 1071683220 /nfs/dbraw/zinc/68/32/20/1071683220.db2.gz QTLJIAMEZUKCJG-UHFFFAOYSA-N 1 2 532.691 5.237 40 0 KKABLO Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000408749396 1071683880 /nfs/dbraw/zinc/68/38/80/1071683880.db2.gz NYVMHBNRYRUYBX-UHFFFAOYSA-N 1 2 594.162 5.629 40 0 KKABLO Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)cc1Cl ZINC000408749258 1071684961 /nfs/dbraw/zinc/68/49/61/1071684961.db2.gz MKYXZHRAQAQHKY-UHFFFAOYSA-N 1 2 594.162 5.629 40 0 KKABLO COc1cc([C@H](CC(=O)NC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138400 1073177551 /nfs/dbraw/zinc/17/75/51/1073177551.db2.gz KUANTSLKGZJSTR-QZFRTWIZSA-N 1 2 788.891 6.210 40 0 KKABLO COc1cc([C@H](CC(=O)NC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138400 1073177553 /nfs/dbraw/zinc/17/75/53/1073177553.db2.gz KUANTSLKGZJSTR-QZFRTWIZSA-N 1 2 788.891 6.210 40 0 KKABLO COc1cc([C@@H](CC(=O)NC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138641 1073179578 /nfs/dbraw/zinc/17/95/78/1073179578.db2.gz OPKKDAJVWIYHHZ-SUYBVONHSA-N 1 2 768.908 6.785 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000001374016 551653087 /nfs/dbraw/zinc/65/30/87/551653087.db2.gz VWUGCIGZDRSTTC-XMMPIXPASA-N 1 2 516.646 5.104 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000001374016 551653088 /nfs/dbraw/zinc/65/30/88/551653088.db2.gz VWUGCIGZDRSTTC-XMMPIXPASA-N 1 2 516.646 5.104 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374210 551653480 /nfs/dbraw/zinc/65/34/80/551653480.db2.gz MKJWHGXUFUXGGM-GDLZYMKVSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374210 551653481 /nfs/dbraw/zinc/65/34/81/551653481.db2.gz MKJWHGXUFUXGGM-GDLZYMKVSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374285 551653493 /nfs/dbraw/zinc/65/34/93/551653493.db2.gz GNAOTGOFMBZUQJ-RUZDIDTESA-N 1 2 502.619 5.225 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374285 551653494 /nfs/dbraw/zinc/65/34/94/551653494.db2.gz GNAOTGOFMBZUQJ-RUZDIDTESA-N 1 2 502.619 5.225 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374493 551654053 /nfs/dbraw/zinc/65/40/53/551654053.db2.gz NPGNPHYNOJYQEE-LJAQVGFWSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374493 551654054 /nfs/dbraw/zinc/65/40/54/551654054.db2.gz NPGNPHYNOJYQEE-LJAQVGFWSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375136 551656330 /nfs/dbraw/zinc/65/63/30/551656330.db2.gz VZPPDDDFRLOATH-HHHXNRCGSA-N 1 2 554.626 5.201 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375136 551656332 /nfs/dbraw/zinc/65/63/32/551656332.db2.gz VZPPDDDFRLOATH-HHHXNRCGSA-N 1 2 554.626 5.201 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375151 551656404 /nfs/dbraw/zinc/65/64/04/551656404.db2.gz WSYJOUTXLWXOJJ-SANMLTNESA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375151 551656406 /nfs/dbraw/zinc/65/64/06/551656406.db2.gz WSYJOUTXLWXOJJ-SANMLTNESA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375451 551656973 /nfs/dbraw/zinc/65/69/73/551656973.db2.gz OXKSTPHJCWPQKW-SANMLTNESA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375451 551656976 /nfs/dbraw/zinc/65/69/76/551656976.db2.gz OXKSTPHJCWPQKW-SANMLTNESA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375413 551656989 /nfs/dbraw/zinc/65/69/89/551656989.db2.gz QBMKMYQZOIHPPM-HSZRJFAPSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375413 551656991 /nfs/dbraw/zinc/65/69/91/551656991.db2.gz QBMKMYQZOIHPPM-HSZRJFAPSA-N 1 2 516.646 5.159 40 0 KKABLO Clc1ccc(CSc2[nH][nH+]c(SCc3ccc(Cl)c(Cl)c3)c3ncnc2-3)cc1Cl ZINC000001692114 551689325 /nfs/dbraw/zinc/68/93/25/551689325.db2.gz VUXXVYNJUYORBR-UHFFFAOYSA-N 1 2 502.279 7.551 40 0 KKABLO O=C(NCC[NH+]1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1)Nc1cccc(-c2ccccc2)c1 ZINC000004723115 552472994 /nfs/dbraw/zinc/47/29/94/552472994.db2.gz ASKOFPWIBGGCEZ-UHFFFAOYSA-N 1 2 519.649 5.992 40 0 KKABLO CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460366 552502634 /nfs/dbraw/zinc/50/26/34/552502634.db2.gz YZYMLQGNRSZFFE-WXKJZWBCSA-N 1 2 626.710 5.571 40 0 KKABLO CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460366 552502636 /nfs/dbraw/zinc/50/26/36/552502636.db2.gz YZYMLQGNRSZFFE-WXKJZWBCSA-N 1 2 626.710 5.571 40 0 KKABLO CC1(C)O[C@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](c3c[nH]c4c3[nH+]cnc4N)[C@@H]2O1 ZINC000005733221 552508131 /nfs/dbraw/zinc/50/81/31/552508131.db2.gz GDNMIKWGAZAXPK-IVLZGPIQSA-N 1 2 548.643 5.509 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006197878 552569546 /nfs/dbraw/zinc/56/95/46/552569546.db2.gz RZNFTSBMSMXBTB-LJAQVGFWSA-N 1 2 538.671 5.805 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006197878 552569547 /nfs/dbraw/zinc/56/95/47/552569547.db2.gz RZNFTSBMSMXBTB-LJAQVGFWSA-N 1 2 538.671 5.805 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198042 552569772 /nfs/dbraw/zinc/56/97/72/552569772.db2.gz DQZAICNDCQOMEQ-MVSFAKPFSA-N 1 2 548.691 5.090 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198042 552569774 /nfs/dbraw/zinc/56/97/74/552569774.db2.gz DQZAICNDCQOMEQ-MVSFAKPFSA-N 1 2 548.691 5.090 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282604 552577753 /nfs/dbraw/zinc/57/77/53/552577753.db2.gz VMINPNWHRNMGAZ-NDEPHWFRSA-N 1 2 512.658 5.073 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006282659 552577771 /nfs/dbraw/zinc/57/77/71/552577771.db2.gz QTUOJOKASDXPTB-MUUNZHRXSA-N 1 2 540.693 5.534 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006282659 552577773 /nfs/dbraw/zinc/57/77/73/552577773.db2.gz QTUOJOKASDXPTB-MUUNZHRXSA-N 1 2 540.693 5.534 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321009 552580818 /nfs/dbraw/zinc/58/08/18/552580818.db2.gz BQJFMFZTNDZCOW-YTTGMZPUSA-N 1 2 546.719 6.471 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321009 552580820 /nfs/dbraw/zinc/58/08/20/552580820.db2.gz BQJFMFZTNDZCOW-YTTGMZPUSA-N 1 2 546.719 6.471 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006409288 552583388 /nfs/dbraw/zinc/58/33/88/552583388.db2.gz RQEFZYQRHLHVFF-GDLZYMKVSA-N 1 2 522.628 5.055 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000006443565 552585720 /nfs/dbraw/zinc/58/57/20/552585720.db2.gz BUYLOWQHIZKXAE-NDEPHWFRSA-N 1 2 541.099 6.066 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000006443565 552585721 /nfs/dbraw/zinc/58/57/21/552585721.db2.gz BUYLOWQHIZKXAE-NDEPHWFRSA-N 1 2 541.099 6.066 40 0 KKABLO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000009266842 553230149 /nfs/dbraw/zinc/23/01/49/553230149.db2.gz HBAJJGLXFFHEFI-LVWCUCSXSA-N 1 2 526.699 5.119 40 0 KKABLO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000009266842 553230150 /nfs/dbraw/zinc/23/01/50/553230150.db2.gz HBAJJGLXFFHEFI-LVWCUCSXSA-N 1 2 526.699 5.119 40 0 KKABLO COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2c(C)[nH+]c3ccccc32)c2ccccc2C)cc1 ZINC000012880662 553425444 /nfs/dbraw/zinc/42/54/44/553425444.db2.gz LVTMLDOOHYXXBL-SSEXGKCCSA-N 1 2 510.638 5.495 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494700 553460280 /nfs/dbraw/zinc/46/02/80/553460280.db2.gz NDGDJTFJSUKEEA-MUUNZHRXSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494700 553460282 /nfs/dbraw/zinc/46/02/82/553460282.db2.gz NDGDJTFJSUKEEA-MUUNZHRXSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494702 553460309 /nfs/dbraw/zinc/46/03/09/553460309.db2.gz NDGDJTFJSUKEEA-NDEPHWFRSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494702 553460310 /nfs/dbraw/zinc/46/03/10/553460310.db2.gz NDGDJTFJSUKEEA-NDEPHWFRSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494760 553460659 /nfs/dbraw/zinc/46/06/59/553460659.db2.gz GEHURXLPGNQTEY-MUUNZHRXSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494760 553460661 /nfs/dbraw/zinc/46/06/61/553460661.db2.gz GEHURXLPGNQTEY-MUUNZHRXSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494998 553461120 /nfs/dbraw/zinc/46/11/20/553461120.db2.gz OSRCAOFREUTMGR-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494998 553461122 /nfs/dbraw/zinc/46/11/22/553461122.db2.gz OSRCAOFREUTMGR-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494994 553461154 /nfs/dbraw/zinc/46/11/54/553461154.db2.gz KIXLIOOEVCSAGG-MHZLTWQESA-N 1 2 514.580 5.303 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494994 553461156 /nfs/dbraw/zinc/46/11/56/553461156.db2.gz KIXLIOOEVCSAGG-MHZLTWQESA-N 1 2 514.580 5.303 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013495065 553461309 /nfs/dbraw/zinc/46/13/09/553461309.db2.gz QSHYZYNMSGNYMX-NDEPHWFRSA-N 1 2 526.616 5.254 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013495065 553461311 /nfs/dbraw/zinc/46/13/11/553461311.db2.gz QSHYZYNMSGNYMX-NDEPHWFRSA-N 1 2 526.616 5.254 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495113 553461330 /nfs/dbraw/zinc/46/13/30/553461330.db2.gz IIQCQHZIIDTWAG-HHHXNRCGSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495113 553461332 /nfs/dbraw/zinc/46/13/32/553461332.db2.gz IIQCQHZIIDTWAG-HHHXNRCGSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495142 553461632 /nfs/dbraw/zinc/46/16/32/553461632.db2.gz MUTJQFZZDRQTRT-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495142 553461633 /nfs/dbraw/zinc/46/16/33/553461633.db2.gz MUTJQFZZDRQTRT-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495148 553461635 /nfs/dbraw/zinc/46/16/35/553461635.db2.gz QFFCRVZMILEIOP-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495148 553461636 /nfs/dbraw/zinc/46/16/36/553461636.db2.gz QFFCRVZMILEIOP-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495249 553461925 /nfs/dbraw/zinc/46/19/25/553461925.db2.gz PSHUGIMTRVGJBR-DEOSSOPVSA-N 1 2 514.630 5.129 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495249 553461927 /nfs/dbraw/zinc/46/19/27/553461927.db2.gz PSHUGIMTRVGJBR-DEOSSOPVSA-N 1 2 514.630 5.129 40 0 KKABLO COc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498730 553464772 /nfs/dbraw/zinc/46/47/72/553464772.db2.gz WEBTXJCNOFYUTN-MHZLTWQESA-N 1 2 500.647 5.428 40 0 KKABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498730 553464774 /nfs/dbraw/zinc/46/47/74/553464774.db2.gz WEBTXJCNOFYUTN-MHZLTWQESA-N 1 2 500.647 5.428 40 0 KKABLO Cc1cc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498964 553464998 /nfs/dbraw/zinc/46/49/98/553464998.db2.gz CVLFMLFTZHNTRU-RUZDIDTESA-N 1 2 502.644 5.234 40 0 KKABLO Cc1cc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498964 553465001 /nfs/dbraw/zinc/46/50/01/553465001.db2.gz CVLFMLFTZHNTRU-RUZDIDTESA-N 1 2 502.644 5.234 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499392 553465580 /nfs/dbraw/zinc/46/55/80/553465580.db2.gz YGAMDIUOHYTTSB-VWLOTQADSA-N 1 2 532.620 5.084 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499392 553465583 /nfs/dbraw/zinc/46/55/83/553465583.db2.gz YGAMDIUOHYTTSB-VWLOTQADSA-N 1 2 532.620 5.084 40 0 KKABLO Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C[N@@H+]5CCc6ccccc6C5)n4)ccc32)c1 ZINC000013565000 553472590 /nfs/dbraw/zinc/47/25/90/553472590.db2.gz RTZSKRRZGKPOPN-UHFFFAOYSA-N 1 2 508.647 5.318 40 0 KKABLO Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C[N@H+]5CCc6ccccc6C5)n4)ccc32)c1 ZINC000013565000 553472592 /nfs/dbraw/zinc/47/25/92/553472592.db2.gz RTZSKRRZGKPOPN-UHFFFAOYSA-N 1 2 508.647 5.318 40 0 KKABLO CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000014162676 553505763 /nfs/dbraw/zinc/50/57/63/553505763.db2.gz YNUKUYAJXDGAKL-UHFFFAOYSA-N 1 2 504.439 6.434 40 0 KKABLO CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000014162676 553505764 /nfs/dbraw/zinc/50/57/64/553505764.db2.gz YNUKUYAJXDGAKL-UHFFFAOYSA-N 1 2 504.439 6.434 40 0 KKABLO O=C(OCCN1CC[NH+](CCOC(=O)C(Cl)(c2ccccc2)c2ccccc2)CC1)C(Cl)(c1ccccc1)c1ccccc1 ZINC000019362058 553613787 /nfs/dbraw/zinc/61/37/87/553613787.db2.gz AXKRCROZFLHEBH-UHFFFAOYSA-N 1 2 631.600 6.056 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972883 553649626 /nfs/dbraw/zinc/64/96/26/553649626.db2.gz RROCSMSHXHAFCV-MUUNZHRXSA-N 1 2 524.694 5.834 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972883 553649629 /nfs/dbraw/zinc/64/96/29/553649629.db2.gz RROCSMSHXHAFCV-MUUNZHRXSA-N 1 2 524.694 5.834 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020079820 553677281 /nfs/dbraw/zinc/67/72/81/553677281.db2.gz YZTRAGLHPWKQOK-SSEXGKCCSA-N 1 2 534.708 6.111 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020079820 553677284 /nfs/dbraw/zinc/67/72/84/553677284.db2.gz YZTRAGLHPWKQOK-SSEXGKCCSA-N 1 2 534.708 6.111 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000020079824 553677383 /nfs/dbraw/zinc/67/73/83/553677383.db2.gz YXYQMWNERGIKIF-WJOKGBTCSA-N 1 2 532.692 6.081 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000020079824 553677385 /nfs/dbraw/zinc/67/73/85/553677385.db2.gz YXYQMWNERGIKIF-WJOKGBTCSA-N 1 2 532.692 6.081 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000020611041 553679034 /nfs/dbraw/zinc/67/90/34/553679034.db2.gz ARDSEJVEHUFWLD-UHFFFAOYSA-N 1 2 514.029 7.049 40 0 KKABLO CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)c1 ZINC000020611062 553679345 /nfs/dbraw/zinc/67/93/45/553679345.db2.gz PUQJOSWRTPFKHV-UHFFFAOYSA-N 1 2 501.631 5.933 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000020082819 553682586 /nfs/dbraw/zinc/68/25/86/553682586.db2.gz BUBWALBKHDFXKB-MUUNZHRXSA-N 1 2 506.654 5.412 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000020082819 553682587 /nfs/dbraw/zinc/68/25/87/553682587.db2.gz BUBWALBKHDFXKB-MUUNZHRXSA-N 1 2 506.654 5.412 40 0 KKABLO CCn1c2nnc(SCc3ccc(C)cc3)n2c2sc3c(c2c1=O)CC[N@@H+](Cc1ccccc1)C3 ZINC000095116754 553700329 /nfs/dbraw/zinc/70/03/29/553700329.db2.gz KRVJJEYJCDKXFB-UHFFFAOYSA-N 1 2 501.681 5.285 40 0 KKABLO CCn1c2nnc(SCc3ccc(C)cc3)n2c2sc3c(c2c1=O)CC[N@H+](Cc1ccccc1)C3 ZINC000095116754 553700331 /nfs/dbraw/zinc/70/03/31/553700331.db2.gz KRVJJEYJCDKXFB-UHFFFAOYSA-N 1 2 501.681 5.285 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Cl)ccc4OC)cc3n2)cc1 ZINC000022847562 553760723 /nfs/dbraw/zinc/76/07/23/553760723.db2.gz UEMIGSWCSRFCPS-UHFFFAOYSA-N 1 2 523.062 5.364 40 0 KKABLO CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)cc1 ZINC000022860728 553762673 /nfs/dbraw/zinc/76/26/73/553762673.db2.gz MPNGXNLUMGRXKG-OAQYLSRUSA-N 1 2 526.508 6.847 40 0 KKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000030850237 553857640 /nfs/dbraw/zinc/85/76/40/553857640.db2.gz QPBSQAPGMUKNQV-HHHXNRCGSA-N 1 2 503.027 5.230 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000098000231 554049562 /nfs/dbraw/zinc/04/95/62/554049562.db2.gz NKVHINDRYIMFQH-CPTAHSJISA-N 1 2 567.795 10.184 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000098000231 554049566 /nfs/dbraw/zinc/04/95/66/554049566.db2.gz NKVHINDRYIMFQH-CPTAHSJISA-N 1 2 567.795 10.184 40 0 KKABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000044846010 554304293 /nfs/dbraw/zinc/30/42/93/554304293.db2.gz LJRCISIYXCZKIK-UHFFFAOYSA-N 1 2 509.031 5.182 40 0 KKABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000044883369 554307564 /nfs/dbraw/zinc/30/75/64/554307564.db2.gz QFNXXZXNDRBRPB-UHFFFAOYSA-N 1 2 509.031 5.182 40 0 KKABLO CCc1cc([C@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054105795 554349166 /nfs/dbraw/zinc/34/91/66/554349166.db2.gz XWGGRYIMTQUJSN-LJAQVGFWSA-N 1 2 529.681 6.622 40 0 KKABLO Cc1cc(Br)c(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000054363126 554349845 /nfs/dbraw/zinc/34/98/45/554349845.db2.gz DRFYNXFWVYQAPC-UHFFFAOYSA-N 1 2 519.892 5.507 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371333 554356848 /nfs/dbraw/zinc/35/68/48/554356848.db2.gz FLCUXRVAFGXHLR-SSEXGKCCSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371333 554356850 /nfs/dbraw/zinc/35/68/50/554356850.db2.gz FLCUXRVAFGXHLR-SSEXGKCCSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371264 554356948 /nfs/dbraw/zinc/35/69/48/554356948.db2.gz ZYSOEBMDSAQFOD-LJAQVGFWSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371264 554356950 /nfs/dbraw/zinc/35/69/50/554356950.db2.gz ZYSOEBMDSAQFOD-LJAQVGFWSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371852 554357480 /nfs/dbraw/zinc/35/74/80/554357480.db2.gz UABRSCGNVTXPMK-SSEXGKCCSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371852 554357483 /nfs/dbraw/zinc/35/74/83/554357483.db2.gz UABRSCGNVTXPMK-SSEXGKCCSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372511 554357961 /nfs/dbraw/zinc/35/79/61/554357961.db2.gz ZNPCROPKQNEYST-GDLZYMKVSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372511 554357964 /nfs/dbraw/zinc/35/79/64/554357964.db2.gz ZNPCROPKQNEYST-GDLZYMKVSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375077 554359303 /nfs/dbraw/zinc/35/93/03/554359303.db2.gz XQSQZMGMCDCEGH-MUUNZHRXSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375077 554359305 /nfs/dbraw/zinc/35/93/05/554359305.db2.gz XQSQZMGMCDCEGH-MUUNZHRXSA-N 1 2 540.643 5.481 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000057640694 554360979 /nfs/dbraw/zinc/36/09/79/554360979.db2.gz IDAHGTXWOFNLMI-NDEPHWFRSA-N 1 2 528.607 5.557 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000057640694 554360974 /nfs/dbraw/zinc/36/09/74/554360974.db2.gz IDAHGTXWOFNLMI-NDEPHWFRSA-N 1 2 528.607 5.557 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640729 554360988 /nfs/dbraw/zinc/36/09/88/554360988.db2.gz RTYQWKJAVMJLIQ-VWLOTQADSA-N 1 2 514.630 5.210 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640729 554360993 /nfs/dbraw/zinc/36/09/93/554360993.db2.gz RTYQWKJAVMJLIQ-VWLOTQADSA-N 1 2 514.630 5.210 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640822 554361076 /nfs/dbraw/zinc/36/10/76/554361076.db2.gz RPAPECRRIWELLR-MHZLTWQESA-N 1 2 514.580 5.303 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640822 554361080 /nfs/dbraw/zinc/36/10/80/554361080.db2.gz RPAPECRRIWELLR-MHZLTWQESA-N 1 2 514.580 5.303 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000057640642 554361096 /nfs/dbraw/zinc/36/10/96/554361096.db2.gz JSZAGIWHTJOGNZ-GDLZYMKVSA-N 1 2 522.653 5.287 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000057640642 554361094 /nfs/dbraw/zinc/36/10/94/554361094.db2.gz JSZAGIWHTJOGNZ-GDLZYMKVSA-N 1 2 522.653 5.287 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000057640701 554361148 /nfs/dbraw/zinc/36/11/48/554361148.db2.gz IRTDGVYTWITKFK-GDLZYMKVSA-N 1 2 506.654 5.473 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000057640701 554361151 /nfs/dbraw/zinc/36/11/51/554361151.db2.gz IRTDGVYTWITKFK-GDLZYMKVSA-N 1 2 506.654 5.473 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640832 554361185 /nfs/dbraw/zinc/36/11/85/554361185.db2.gz SVSHJTVXGAPGHS-MUUNZHRXSA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640832 554361187 /nfs/dbraw/zinc/36/11/87/554361187.db2.gz SVSHJTVXGAPGHS-MUUNZHRXSA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641135 554361547 /nfs/dbraw/zinc/36/15/47/554361547.db2.gz VBNGQSIRRHCUKZ-AREMUKBSSA-N 1 2 504.610 5.321 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641135 554361550 /nfs/dbraw/zinc/36/15/50/554361550.db2.gz VBNGQSIRRHCUKZ-AREMUKBSSA-N 1 2 504.610 5.321 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641527 554362304 /nfs/dbraw/zinc/36/23/04/554362304.db2.gz HWZMICMNNPRZCT-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641527 554362308 /nfs/dbraw/zinc/36/23/08/554362308.db2.gz HWZMICMNNPRZCT-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641465 554362344 /nfs/dbraw/zinc/36/23/44/554362344.db2.gz KKMDJUSEHDSYSJ-NDEPHWFRSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641465 554362342 /nfs/dbraw/zinc/36/23/42/554362342.db2.gz KKMDJUSEHDSYSJ-NDEPHWFRSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641587 554362641 /nfs/dbraw/zinc/36/26/41/554362641.db2.gz IIIYZHUQPMNRHV-LJAQVGFWSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641587 554362638 /nfs/dbraw/zinc/36/26/38/554362638.db2.gz IIIYZHUQPMNRHV-LJAQVGFWSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642029 554363017 /nfs/dbraw/zinc/36/30/17/554363017.db2.gz KNUQDSDFCQCNPV-MHZLTWQESA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642029 554363019 /nfs/dbraw/zinc/36/30/19/554363019.db2.gz KNUQDSDFCQCNPV-MHZLTWQESA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641894 554363134 /nfs/dbraw/zinc/36/31/34/554363134.db2.gz NRGOFEIYZARXSB-GDLZYMKVSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641894 554363139 /nfs/dbraw/zinc/36/31/39/554363139.db2.gz NRGOFEIYZARXSB-GDLZYMKVSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642209 554363567 /nfs/dbraw/zinc/36/35/67/554363567.db2.gz BYDCFUZHFKUPEM-SANMLTNESA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642209 554363562 /nfs/dbraw/zinc/36/35/62/554363562.db2.gz BYDCFUZHFKUPEM-SANMLTNESA-N 1 2 502.638 5.929 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000059331624 554389997 /nfs/dbraw/zinc/38/99/97/554389997.db2.gz RJJQDQOCLUUKMS-UHFFFAOYSA-N 1 2 521.090 5.593 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Br)ccc4OC)cc3n2)c(C)c1 ZINC000059331872 554391905 /nfs/dbraw/zinc/39/19/05/554391905.db2.gz SGHHRYGLARGBPI-UHFFFAOYSA-N 1 2 522.447 5.907 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000102370344 554916129 /nfs/dbraw/zinc/91/61/29/554916129.db2.gz NWLVKPXMVABOBZ-AXXJGTDDSA-N 1 2 623.536 7.762 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000102370344 554916131 /nfs/dbraw/zinc/91/61/31/554916131.db2.gz NWLVKPXMVABOBZ-AXXJGTDDSA-N 1 2 623.536 7.762 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000102370353 554916307 /nfs/dbraw/zinc/91/63/07/554916307.db2.gz NWLVKPXMVABOBZ-XMFJDCMESA-N 1 2 623.536 7.762 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000102370353 554916309 /nfs/dbraw/zinc/91/63/09/554916309.db2.gz NWLVKPXMVABOBZ-XMFJDCMESA-N 1 2 623.536 7.762 40 0 KKABLO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[P@](=O)(O[C@H]1C[C@H]3CC[C@]1(C)C3(C)C)[C@H]([NH2+]Cc1ccccc1)c1ccccc1)C2 ZINC000102676399 555004051 /nfs/dbraw/zinc/00/40/51/555004051.db2.gz BATYDYQRHLJKAS-RGFVMMCKSA-N 1 2 549.736 9.131 40 0 KKABLO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[P@@](=O)(O[C@H]1C[C@H]3CC[C@]1(C)C3(C)C)[C@H]([NH2+]Cc1ccccc1)c1ccccc1)C2 ZINC000102676399 555004054 /nfs/dbraw/zinc/00/40/54/555004054.db2.gz BATYDYQRHLJKAS-RGFVMMCKSA-N 1 2 549.736 9.131 40 0 KKABLO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000102896491 555136643 /nfs/dbraw/zinc/13/66/43/555136643.db2.gz FMKKTXZITMUIJJ-VPBXCIAMSA-N 1 2 551.952 5.821 40 0 KKABLO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000102896491 555136646 /nfs/dbraw/zinc/13/66/46/555136646.db2.gz FMKKTXZITMUIJJ-VPBXCIAMSA-N 1 2 551.952 5.821 40 0 KKABLO O=C(c1ccccc1)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103511541 555422279 /nfs/dbraw/zinc/42/22/79/555422279.db2.gz RKZMISDPZMQPAD-IVLKBZHLSA-N 1 2 531.011 6.322 40 0 KKABLO O=C(c1ccccc1)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103511541 555422281 /nfs/dbraw/zinc/42/22/81/555422281.db2.gz RKZMISDPZMQPAD-IVLKBZHLSA-N 1 2 531.011 6.322 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519316 555424913 /nfs/dbraw/zinc/42/49/13/555424913.db2.gz CIXUWJIHVMCUGX-ACZXLBTNSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519316 555424914 /nfs/dbraw/zinc/42/49/14/555424914.db2.gz CIXUWJIHVMCUGX-ACZXLBTNSA-N 1 2 574.608 5.825 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2cccc(OC)c2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103519439 555424957 /nfs/dbraw/zinc/42/49/57/555424957.db2.gz AQRNOAMLJKHOFE-XKEBTDTJSA-N 1 2 570.645 6.076 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2cccc(OC)c2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103519439 555424962 /nfs/dbraw/zinc/42/49/62/555424962.db2.gz AQRNOAMLJKHOFE-XKEBTDTJSA-N 1 2 570.645 6.076 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103520592 555426174 /nfs/dbraw/zinc/42/61/74/555426174.db2.gz NHYKODDUGWTYEY-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103520592 555426176 /nfs/dbraw/zinc/42/61/76/555426176.db2.gz NHYKODDUGWTYEY-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1F ZINC000103523042 555427206 /nfs/dbraw/zinc/42/72/06/555427206.db2.gz BJBLNPCNODJRDX-SOOJPDKZSA-N 1 2 558.609 6.124 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1F ZINC000103523042 555427209 /nfs/dbraw/zinc/42/72/09/555427209.db2.gz BJBLNPCNODJRDX-SOOJPDKZSA-N 1 2 558.609 6.124 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)c1 ZINC000103522926 555427229 /nfs/dbraw/zinc/42/72/29/555427229.db2.gz DTXLLFCDICIPLB-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)c1 ZINC000103522926 555427232 /nfs/dbraw/zinc/42/72/32/555427232.db2.gz DTXLLFCDICIPLB-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103531758 555431787 /nfs/dbraw/zinc/43/17/87/555431787.db2.gz OJMYCQKZQFOINS-ACZXLBTNSA-N 1 2 575.064 6.720 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103531758 555431790 /nfs/dbraw/zinc/43/17/90/555431790.db2.gz OJMYCQKZQFOINS-ACZXLBTNSA-N 1 2 575.064 6.720 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103531520 555431881 /nfs/dbraw/zinc/43/18/81/555431881.db2.gz PLWQDHYCKXVZKF-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103531520 555431884 /nfs/dbraw/zinc/43/18/84/555431884.db2.gz PLWQDHYCKXVZKF-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103531894 555432286 /nfs/dbraw/zinc/43/22/86/555432286.db2.gz UMMQGOHIGAQDJS-WWYHPTGPSA-N 1 2 584.672 6.464 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103531894 555432289 /nfs/dbraw/zinc/43/22/89/555432289.db2.gz UMMQGOHIGAQDJS-WWYHPTGPSA-N 1 2 584.672 6.464 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103532165 555432560 /nfs/dbraw/zinc/43/25/60/555432560.db2.gz QHQGFFQVGDYKFW-RWLYWVGSSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103532165 555432564 /nfs/dbraw/zinc/43/25/64/555432564.db2.gz QHQGFFQVGDYKFW-RWLYWVGSSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000103532637 555432903 /nfs/dbraw/zinc/43/29/03/555432903.db2.gz OREUHWJXLLJEAM-LRXFEKEMSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000103532637 555432904 /nfs/dbraw/zinc/43/29/04/555432904.db2.gz OREUHWJXLLJEAM-LRXFEKEMSA-N 1 2 586.644 5.694 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103535310 555435082 /nfs/dbraw/zinc/43/50/82/555435082.db2.gz ALXHJQCNRVTVDH-GYEXEWKGSA-N 1 2 609.509 7.374 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103535310 555435084 /nfs/dbraw/zinc/43/50/84/555435084.db2.gz ALXHJQCNRVTVDH-GYEXEWKGSA-N 1 2 609.509 7.374 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)c(F)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c1 ZINC000103534963 555435109 /nfs/dbraw/zinc/43/51/09/555435109.db2.gz VYLWJTHGALUMKA-MIARMAKKSA-N 1 2 574.608 5.825 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)c(F)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c1 ZINC000103534963 555435113 /nfs/dbraw/zinc/43/51/13/555435113.db2.gz VYLWJTHGALUMKA-MIARMAKKSA-N 1 2 574.608 5.825 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000103536545 555435877 /nfs/dbraw/zinc/43/58/77/555435877.db2.gz KTRQPGCQCLNHPI-ZMRCCQFYSA-N 1 2 552.845 5.661 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000103536545 555435879 /nfs/dbraw/zinc/43/58/79/555435879.db2.gz KTRQPGCQCLNHPI-ZMRCCQFYSA-N 1 2 552.845 5.661 40 0 KKABLO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103536987 555436214 /nfs/dbraw/zinc/43/62/14/555436214.db2.gz VUIKFZDLADUMFA-AVKZGCRPSA-N 1 2 566.872 5.970 40 0 KKABLO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103536987 555436215 /nfs/dbraw/zinc/43/62/15/555436215.db2.gz VUIKFZDLADUMFA-AVKZGCRPSA-N 1 2 566.872 5.970 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103536743 555436266 /nfs/dbraw/zinc/43/62/66/555436266.db2.gz GUASAZBYALXHIT-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103536743 555436269 /nfs/dbraw/zinc/43/62/69/555436269.db2.gz GUASAZBYALXHIT-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103537947 555436599 /nfs/dbraw/zinc/43/65/99/555436599.db2.gz GJKPHDMNCVZQEB-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103537947 555436604 /nfs/dbraw/zinc/43/66/04/555436604.db2.gz GJKPHDMNCVZQEB-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103537203 555436691 /nfs/dbraw/zinc/43/66/91/555436691.db2.gz SGVWOOUXZZGSKK-PBNWVGGGSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103537203 555436694 /nfs/dbraw/zinc/43/66/94/555436694.db2.gz SGVWOOUXZZGSKK-PBNWVGGGSA-N 1 2 565.456 6.975 40 0 KKABLO COc1cc2[nH+]ccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)c(Cl)c3)c2cc1OC ZINC000103541198 555438378 /nfs/dbraw/zinc/43/83/78/555438378.db2.gz UYAFEHGSUYIFOL-UHFFFAOYSA-N 1 2 535.959 6.194 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103561896 555449099 /nfs/dbraw/zinc/44/90/99/555449099.db2.gz SACHLSJCRCWLQK-ZXYZSCNASA-N 1 2 594.589 6.554 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103561896 555449102 /nfs/dbraw/zinc/44/91/02/555449102.db2.gz SACHLSJCRCWLQK-ZXYZSCNASA-N 1 2 594.589 6.554 40 0 KKABLO CC(C)c1nc(CN(C)C(=O)N[C@H](CC[NH+]2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604139 562847524 /nfs/dbraw/zinc/84/75/24/562847524.db2.gz ZCIGNRJZKPOIKD-KIGLDFBWSA-N 1 2 776.042 6.001 40 0 in-vitro KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000104104156 571374033 /nfs/dbraw/zinc/37/40/33/571374033.db2.gz FCBSZUIEBFRWOV-IZJWOVIGSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000104104156 571374034 /nfs/dbraw/zinc/37/40/34/571374034.db2.gz FCBSZUIEBFRWOV-IZJWOVIGSA-N 1 2 574.608 5.825 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000104185085 571376248 /nfs/dbraw/zinc/37/62/48/571376248.db2.gz WIHWLQRNPNFJCA-NEWJYFPISA-N 1 2 537.925 5.513 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000104185085 571376249 /nfs/dbraw/zinc/37/62/49/571376249.db2.gz WIHWLQRNPNFJCA-NEWJYFPISA-N 1 2 537.925 5.513 40 0 KKABLO CCN(c1ccc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000104404458 571380592 /nfs/dbraw/zinc/38/05/92/571380592.db2.gz LRCXWTJBEDJDAG-UHFFFAOYSA-N 1 2 598.588 5.837 40 0 KKABLO Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)ccc32)cc1 ZINC000104406561 571380899 /nfs/dbraw/zinc/38/08/99/571380899.db2.gz XDUUPPALFSYODA-UHFFFAOYSA-N 1 2 565.739 5.684 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Br)ccc4OC)cc3n2)cc1 ZINC000105026004 571389801 /nfs/dbraw/zinc/38/98/01/571389801.db2.gz KYCPODCGVNPGQJ-UHFFFAOYSA-N 1 2 567.513 5.473 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4I)cc3n2)cc1 ZINC000105026283 571389892 /nfs/dbraw/zinc/38/98/92/571389892.db2.gz YHHLFEYQTXZSFL-UHFFFAOYSA-N 1 2 525.394 5.432 40 0 KKABLO CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)cc1 ZINC000105303090 571392671 /nfs/dbraw/zinc/39/26/71/571392671.db2.gz QZVZLCPHXBJTOR-UHFFFAOYSA-N 1 2 554.562 7.409 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(-c5cc(Cl)cc(Cl)c5)o4)cc3n2)cc1 ZINC000105313909 571398121 /nfs/dbraw/zinc/39/81/21/571398121.db2.gz WCCSKKHITQYHDE-ACCUITESSA-N 1 2 619.578 7.668 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)c(C)c1 ZINC000105314133 571398206 /nfs/dbraw/zinc/39/82/06/571398206.db2.gz ZKGKQWQDFKKIKZ-UHFFFAOYSA-N 1 2 587.149 7.232 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(Br)c4)cc3n2)c(C)c1 ZINC000105313936 571398248 /nfs/dbraw/zinc/39/82/48/571398248.db2.gz BIWBSNZVZULSOX-UHFFFAOYSA-N 1 2 551.514 5.773 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)c(C)c1 ZINC000105313954 571398266 /nfs/dbraw/zinc/39/82/66/571398266.db2.gz CVBQHXYOOQODQM-UHFFFAOYSA-N 1 2 562.696 5.036 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3n2)cc1 ZINC000105320833 571402276 /nfs/dbraw/zinc/40/22/76/571402276.db2.gz IUEXSJXJVDUUIN-UHFFFAOYSA-N 1 2 534.447 7.394 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5c(Br)c4OC)cc3n2)cc1 ZINC000105320865 571402298 /nfs/dbraw/zinc/40/22/98/571402298.db2.gz JTBZPZWTCJFFNV-UHFFFAOYSA-N 1 2 558.480 6.752 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5cc(Cl)cc(Cl)c5)o4)cc3n2)c(C)c1 ZINC000105321018 571402509 /nfs/dbraw/zinc/40/25/09/571402509.db2.gz NYSZXSIXLSBOFM-FMIVXFBMSA-N 1 2 574.512 8.102 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000112241691 571435168 /nfs/dbraw/zinc/43/51/68/571435168.db2.gz FVZNJLDXJRSLMS-JQIJEIRASA-N 1 2 599.160 7.323 40 0 KKABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223199257 571443897 /nfs/dbraw/zinc/44/38/97/571443897.db2.gz QDVQJEJTEASLBD-ZEQRLZLVSA-N 1 2 515.104 5.174 40 0 KKABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CCC[NH+]1CCOCC1 ZINC000223201643 571444132 /nfs/dbraw/zinc/44/41/32/571444132.db2.gz SZHYHQTZJARWMJ-BJKOFHAPSA-N 1 2 517.482 5.343 40 0 KKABLO COC(=O)C[C@@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC ZINC000150382727 571467448 /nfs/dbraw/zinc/46/74/48/571467448.db2.gz VPWTVPSLIDITOX-NCRNUEESSA-N 1 2 748.945 7.883 40 0 KKABLO COC(=O)[C@H](NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000150382745 571467466 /nfs/dbraw/zinc/46/74/66/571467466.db2.gz RFJHGXWOZIXSHT-WZYYJWNZSA-N 1 2 718.963 8.976 40 0 KKABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc2ccccc2c1 ZINC000224317618 571520614 /nfs/dbraw/zinc/52/06/14/571520614.db2.gz ZVJSICSKOUAXQG-UHFFFAOYSA-N 1 2 510.590 5.114 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(-c5cc(Cl)cc(Cl)c5)o4)cc3n2)c(C)c1 ZINC000161958302 571531742 /nfs/dbraw/zinc/53/17/42/571531742.db2.gz VPBROTCTINLMOE-FMIVXFBMSA-N 1 2 633.605 7.977 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224561058 571574901 /nfs/dbraw/zinc/57/49/01/571574901.db2.gz BZTLTQUBEGQZDT-FMIVXFBMSA-N 1 2 532.684 6.803 40 0 KKABLO Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2)cc1 ZINC000224712980 571608521 /nfs/dbraw/zinc/60/85/21/571608521.db2.gz AUKGHJUPVQCNKH-AJQTZOPKSA-N 1 2 545.712 7.216 40 0 KKABLO Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2)cc1 ZINC000224712928 571608527 /nfs/dbraw/zinc/60/85/27/571608527.db2.gz AUKGHJUPVQCNKH-ZWXJPIIXSA-N 1 2 545.712 7.216 40 0 KKABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000224965393 571634597 /nfs/dbraw/zinc/63/45/97/571634597.db2.gz OBFGFMXFWMYNIE-FTJBHMTQSA-N 1 2 504.059 5.777 40 0 KKABLO CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)CC1 ZINC000224993951 571637389 /nfs/dbraw/zinc/63/73/89/571637389.db2.gz GBTBZBZNWKJFCU-JSOSNVBQSA-N 1 2 571.194 7.005 40 0 KKABLO CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000225137114 571650835 /nfs/dbraw/zinc/65/08/35/571650835.db2.gz VUPYKHVPJCANJK-NSOVKSMOSA-N 1 2 559.139 6.363 40 0 KKABLO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000225165140 571653751 /nfs/dbraw/zinc/65/37/51/571653751.db2.gz WOIZPSDVOBPVKT-VMPREFPWSA-N 1 2 524.694 5.772 40 0 KKABLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000225249239 571662429 /nfs/dbraw/zinc/66/24/29/571662429.db2.gz VMBKKDHCDTXBBQ-VSGBNLITSA-N 1 2 561.111 5.354 40 0 KKABLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000225276049 571665516 /nfs/dbraw/zinc/66/55/16/571665516.db2.gz AWSVVYWLADYVMC-FQLXRVMXSA-N 1 2 540.693 5.009 40 0 KKABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc(I)c1O ZINC000261361963 572103633 /nfs/dbraw/zinc/10/36/33/572103633.db2.gz FCQLYIVMFKNPDR-QHCPKHFHSA-O 1 2 585.447 5.110 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc(Cl)c(OC(=O)CC)c(OC)c1 ZINC000261361666 572103744 /nfs/dbraw/zinc/10/37/44/572103744.db2.gz AKXNLQPEJOVMCL-AREMUKBSSA-O 1 2 558.080 5.310 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1Br ZINC000261362762 572104784 /nfs/dbraw/zinc/10/47/84/572104784.db2.gz FATNEXLBFNOXFQ-QHCPKHFHSA-O 1 2 514.469 5.485 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OCC)ccc1Br ZINC000261363960 572105813 /nfs/dbraw/zinc/10/58/13/572105813.db2.gz ISEWDCDAZKEAOQ-QHCPKHFHSA-O 1 2 530.468 5.104 40 0 KKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000261363826 572105823 /nfs/dbraw/zinc/10/58/23/572105823.db2.gz WRKVQQCWGKBFTM-VWLOTQADSA-O 1 2 629.354 5.876 40 0 KKABLO CCCCCCOc1ccccc1[C@H]1N(C(=O)c2ccccc2)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364107 572106464 /nfs/dbraw/zinc/10/64/64/572106464.db2.gz JHJOFIVXZRKCHM-NDEPHWFRSA-O 1 2 527.670 6.025 40 0 KKABLO CCOc1c(Br)cc(Br)cc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364116 572106594 /nfs/dbraw/zinc/10/65/94/572106594.db2.gz JJFCJUKECZDWTM-NRFANRHFSA-O 1 2 581.310 5.086 40 0 KKABLO CCOc1cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)ccc1OC ZINC000261365078 572107358 /nfs/dbraw/zinc/10/73/58/572107358.db2.gz PWIZIHOFBCCSBH-HHHXNRCGSA-O 1 2 550.060 5.403 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261365409 572108072 /nfs/dbraw/zinc/10/80/72/572108072.db2.gz SBMGWBTXAICASP-RUZDIDTESA-O 1 2 586.576 6.225 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1cccc2ccccc21 ZINC000261366389 572108919 /nfs/dbraw/zinc/10/89/19/572108919.db2.gz ZJPRRMQBNUCZOT-QHCPKHFHSA-O 1 2 508.421 5.078 40 0 KKABLO CCCOc1ccc2ccccc2c1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]21 ZINC000261366299 572109283 /nfs/dbraw/zinc/10/92/83/572109283.db2.gz YRLRKSQSJFZEEV-HKBQPEDESA-O 1 2 584.121 6.938 40 0 KKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccccc3Br)nc(NC3CCCCC3)[nH+]2)c1 ZINC000329002766 572148848 /nfs/dbraw/zinc/14/88/48/572148848.db2.gz KIOWQSYPKGJYCV-UHFFFAOYSA-N 1 2 521.381 6.005 40 0 KKABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329016455 572148965 /nfs/dbraw/zinc/14/89/65/572148965.db2.gz NGQYLUPPELYMRD-FQEVSTJZSA-N 1 2 525.369 5.846 40 0 KKABLO CC(C)[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329024317 572149468 /nfs/dbraw/zinc/14/94/68/572149468.db2.gz OZAUDHVZHHPHKV-FQEVSTJZSA-N 1 2 525.369 5.846 40 0 KKABLO CNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329048403 572150874 /nfs/dbraw/zinc/15/08/74/572150874.db2.gz UJVOXHWGJDYDTB-UHFFFAOYSA-N 1 2 507.232 5.453 40 0 KKABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2Cl)c1 ZINC000408549389 572231980 /nfs/dbraw/zinc/23/19/80/572231980.db2.gz YTCRYPSBLKTLNL-UHFFFAOYSA-N 1 2 574.146 6.305 40 0 KKABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408562017 572248592 /nfs/dbraw/zinc/24/85/92/572248592.db2.gz XAFPJJZVMBUWIB-UHFFFAOYSA-N 1 2 610.563 6.350 40 0 KKABLO COC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408563816 572249818 /nfs/dbraw/zinc/24/98/18/572249818.db2.gz AXOPUIJFZAIRBC-UHFFFAOYSA-N 1 2 605.738 5.457 40 0 KKABLO COC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408563816 572249819 /nfs/dbraw/zinc/24/98/19/572249819.db2.gz AXOPUIJFZAIRBC-UHFFFAOYSA-N 1 2 605.738 5.457 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc2Cl)cc1 ZINC000408566227 572253615 /nfs/dbraw/zinc/25/36/15/572253615.db2.gz NJHSTNJCXTUGRB-VMPITWQZSA-N 1 2 558.531 5.355 40 0 KKABLO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408608714 572275657 /nfs/dbraw/zinc/27/56/57/572275657.db2.gz OSJNBLPYOORZJR-JXMROGBWSA-N 1 2 600.184 6.515 40 0 KKABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2Cl)cc1C ZINC000408618003 572279810 /nfs/dbraw/zinc/27/98/10/572279810.db2.gz IOGIVHGVJSRVHZ-RMKNXTFCSA-N 1 2 524.086 5.229 40 0 KKABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000408620767 572281263 /nfs/dbraw/zinc/28/12/63/572281263.db2.gz LTRMCHZKBNMVQH-RMKNXTFCSA-N 1 2 588.557 5.363 40 0 KKABLO CCOc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)[NH+]=C3N=CNN32)ccc1OCc1c(Cl)cccc1Cl ZINC000408622031 572281845 /nfs/dbraw/zinc/28/18/45/572281845.db2.gz AECHECOIEXBFEQ-MHZLTWQESA-N 1 2 564.473 6.451 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cccc(OCc3ccc(C)cc3)c2)c(OC)cc1Cl ZINC000408624149 572282917 /nfs/dbraw/zinc/28/29/17/572282917.db2.gz FRVNYJPHZOQYJH-MHZLTWQESA-N 1 2 546.027 5.417 40 0 KKABLO O=C(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408635944 572292835 /nfs/dbraw/zinc/29/28/35/572292835.db2.gz KFPSDWQKJZMYCN-UHFFFAOYSA-N 1 2 534.059 6.376 40 0 KKABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccc(C(F)(F)F)cc4)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257205341 572306814 /nfs/dbraw/zinc/30/68/14/572306814.db2.gz AYPHFUXPQUHRGR-HHHXNRCGSA-N 1 2 601.691 5.119 40 0 KKABLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)c3cccc(F)c3)C4)n2)cc1 ZINC000257211178 572307413 /nfs/dbraw/zinc/30/74/13/572307413.db2.gz BXTXSYZKZSLUSJ-UHFFFAOYSA-N 1 2 586.755 5.242 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(C(F)(F)F)c2)Cc2ccccc2Cl)C1 ZINC000257213952 572307674 /nfs/dbraw/zinc/30/76/74/572307674.db2.gz CJVDPHHOCIGVSJ-JWQCQUIFSA-N 1 2 518.963 5.743 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(C(F)(F)F)c2)Cc2ccccc2Cl)C1 ZINC000257213952 572307675 /nfs/dbraw/zinc/30/76/75/572307675.db2.gz CJVDPHHOCIGVSJ-JWQCQUIFSA-N 1 2 518.963 5.743 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccc(Oc3ccccc3)cc1)CC2 ZINC000257230449 572309139 /nfs/dbraw/zinc/30/91/39/572309139.db2.gz GCKFHUOZLUSSQV-UHFFFAOYSA-N 1 2 568.139 6.026 40 0 KKABLO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3)[N@H+](CCO)[C@H]2c2cccc(Cl)c2)n1 ZINC000257259773 572311971 /nfs/dbraw/zinc/31/19/71/572311971.db2.gz KZXDZELNYZNFMC-XWGVYQGASA-N 1 2 501.458 5.475 40 0 KKABLO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3)[N@@H+](CCO)[C@H]2c2cccc(Cl)c2)n1 ZINC000257259773 572311972 /nfs/dbraw/zinc/31/19/72/572311972.db2.gz KZXDZELNYZNFMC-XWGVYQGASA-N 1 2 501.458 5.475 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257261419 572312222 /nfs/dbraw/zinc/31/22/22/572312222.db2.gz LHFDHCQZZXMXAL-UHFFFAOYSA-N 1 2 541.611 5.129 40 0 KKABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4cccc5ccccc54)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257273190 572313249 /nfs/dbraw/zinc/31/32/49/572313249.db2.gz NFOYZAJUYHMYJN-GDLZYMKVSA-N 1 2 583.754 5.254 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc(C(C)C)cc4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257284799 572314315 /nfs/dbraw/zinc/31/43/15/572314315.db2.gz PEJJZFICTSTAPV-DITALETJSA-N 1 2 575.775 5.224 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc(C(C)C)cc4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257284799 572314316 /nfs/dbraw/zinc/31/43/16/572314316.db2.gz PEJJZFICTSTAPV-DITALETJSA-N 1 2 575.775 5.224 40 0 KKABLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)c3ccccc3)C4)n2)cc1 ZINC000257290655 572314972 /nfs/dbraw/zinc/31/49/72/572314972.db2.gz QDUWHWXGBBMICR-UHFFFAOYSA-N 1 2 552.766 5.403 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2ccccc2Br)C1 ZINC000257292786 572315137 /nfs/dbraw/zinc/31/51/37/572315137.db2.gz QMYMSACSRFMRIV-JWQCQUIFSA-N 1 2 529.862 5.487 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2ccccc2Br)C1 ZINC000257292786 572315138 /nfs/dbraw/zinc/31/51/38/572315138.db2.gz QMYMSACSRFMRIV-JWQCQUIFSA-N 1 2 529.862 5.487 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3nc4ccc(Cl)cc4s3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257317285 572317581 /nfs/dbraw/zinc/31/75/81/572317581.db2.gz VJCSFQDQWNIRDK-UHFFFAOYSA-N 1 2 547.146 5.234 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(F)c(Cl)c2)Cc2ccccc2Cl)C1 ZINC000257333490 572319178 /nfs/dbraw/zinc/31/91/78/572319178.db2.gz YBTQAQHRKMBJKW-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(F)c(Cl)c2)Cc2ccccc2Cl)C1 ZINC000257333490 572319179 /nfs/dbraw/zinc/31/91/79/572319179.db2.gz YBTQAQHRKMBJKW-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO CCCCOc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257337479 572319607 /nfs/dbraw/zinc/31/96/07/572319607.db2.gz YSYXMRIVRNSPTN-JTSJOTPCSA-N 1 2 571.784 5.083 40 0 KKABLO CCCCOc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257337479 572319608 /nfs/dbraw/zinc/31/96/08/572319608.db2.gz YSYXMRIVRNSPTN-JTSJOTPCSA-N 1 2 571.784 5.083 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2c(C)cccc2C)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408992934 1070358923 /nfs/dbraw/zinc/35/89/23/1070358923.db2.gz VDCXWZZVLHTHEC-JOCHJYFZSA-N 1 2 506.455 5.820 40 0 KKABLO Cc1[nH]c2ccc(NC(=O)COc3cccc([C@@H]4OC[C@@H](c5ccc(Cl)cc5)C[C@H]4C(C)C)c3)cc2[nH+]1 ZINC000585295210 1071047008 /nfs/dbraw/zinc/04/70/08/1071047008.db2.gz PZRFUYMUYMTAEI-PJISXUAISA-N 1 2 518.057 7.060 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370220 1071306902 /nfs/dbraw/zinc/30/69/02/1071306902.db2.gz GATDCOANDSLCMG-LRXFEKEMSA-N 1 2 589.091 7.109 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370220 1071306921 /nfs/dbraw/zinc/30/69/21/1071306921.db2.gz GATDCOANDSLCMG-LRXFEKEMSA-N 1 2 589.091 7.109 40 0 KKABLO CSc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCCCCC1 ZINC000408714564 1071475283 /nfs/dbraw/zinc/47/52/83/1071475283.db2.gz FFNODTMKUNZBMA-UHFFFAOYSA-N 1 2 563.789 5.521 40 0 KKABLO Cc1ccc(C)c(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)c1 ZINC000408749720 1071682208 /nfs/dbraw/zinc/68/22/08/1071682208.db2.gz SHRYZUAZEXPQHX-UHFFFAOYSA-N 1 2 573.744 5.284 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc(Cl)cc4)sc3c2)CC1 ZINC000408748858 1071688811 /nfs/dbraw/zinc/68/88/11/1071688811.db2.gz IIUUHIQFRDCMIY-UHFFFAOYSA-N 1 2 580.135 5.320 40 0 KKABLO CCc1cc([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccn3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298722 551637927 /nfs/dbraw/zinc/63/79/27/551637927.db2.gz SAYXWCIVKQNHQD-MHZLTWQESA-N 1 2 500.643 6.009 40 0 KKABLO COc1ccccc1C[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)[C@H](c1nnnn1Cc1ccc(F)cc1)C(C)C ZINC000001334530 551645374 /nfs/dbraw/zinc/64/53/74/551645374.db2.gz AJHFTDAIMWQMST-PMERELPUSA-N 1 2 586.668 5.127 40 0 KKABLO COc1ccccc1C[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)[C@H](c1nnnn1Cc1ccc(F)cc1)C(C)C ZINC000001334530 551645375 /nfs/dbraw/zinc/64/53/75/551645375.db2.gz AJHFTDAIMWQMST-PMERELPUSA-N 1 2 586.668 5.127 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000001374038 551653032 /nfs/dbraw/zinc/65/30/32/551653032.db2.gz UUFVIQVJMXCFNW-HHHXNRCGSA-N 1 2 536.636 5.008 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000001374038 551653033 /nfs/dbraw/zinc/65/30/33/551653033.db2.gz UUFVIQVJMXCFNW-HHHXNRCGSA-N 1 2 536.636 5.008 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374494 551654038 /nfs/dbraw/zinc/65/40/38/551654038.db2.gz NPGNPHYNOJYQEE-GDLZYMKVSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374494 551654039 /nfs/dbraw/zinc/65/40/39/551654039.db2.gz NPGNPHYNOJYQEE-GDLZYMKVSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374489 551654047 /nfs/dbraw/zinc/65/40/47/551654047.db2.gz QAAHJUWSTAISNV-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374489 551654048 /nfs/dbraw/zinc/65/40/48/551654048.db2.gz QAAHJUWSTAISNV-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374497 551654086 /nfs/dbraw/zinc/65/40/86/551654086.db2.gz KZALWDYSJUWKFW-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374497 551654088 /nfs/dbraw/zinc/65/40/88/551654088.db2.gz KZALWDYSJUWKFW-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374948 551655622 /nfs/dbraw/zinc/65/56/22/551655622.db2.gz ARMYRWJMOJDVDP-AREMUKBSSA-N 1 2 560.605 5.012 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374948 551655624 /nfs/dbraw/zinc/65/56/24/551655624.db2.gz ARMYRWJMOJDVDP-AREMUKBSSA-N 1 2 560.605 5.012 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375294 551656511 /nfs/dbraw/zinc/65/65/11/551656511.db2.gz LGOIBCOWUHKNGM-HHHXNRCGSA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375294 551656514 /nfs/dbraw/zinc/65/65/14/551656514.db2.gz LGOIBCOWUHKNGM-HHHXNRCGSA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375245 551656540 /nfs/dbraw/zinc/65/65/40/551656540.db2.gz QSTCREPKXBKXQT-VWLOTQADSA-N 1 2 514.630 5.129 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375245 551656542 /nfs/dbraw/zinc/65/65/42/551656542.db2.gz QSTCREPKXBKXQT-VWLOTQADSA-N 1 2 514.630 5.129 40 0 KKABLO O[C@H](COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000001703160 551690007 /nfs/dbraw/zinc/69/00/07/551690007.db2.gz KWBDNOAOXOMFHG-NSHDSACASA-N 1 2 519.083 6.169 40 0 KKABLO Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCCCC2)cc1 ZINC000001785103 551699138 /nfs/dbraw/zinc/69/91/38/551699138.db2.gz ZYWLCPVQWYEINX-UHFFFAOYSA-N 1 2 586.006 8.079 40 0 KKABLO CCOC(=O)Nc1ccc(SC[C@@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000003873395 552421388 /nfs/dbraw/zinc/42/13/88/552421388.db2.gz OGPIBXIQNMQSPY-FDDCHVKYSA-N 1 2 508.427 5.819 40 0 in-man KKABLO CC1(C)O[C@H]2[C@@H](c3c[nH]c4c3[nH+]cnc4N)O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O1 ZINC000005733218 552508101 /nfs/dbraw/zinc/50/81/01/552508101.db2.gz GDNMIKWGAZAXPK-YSGRNVAOSA-N 1 2 548.643 5.509 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149545 552550520 /nfs/dbraw/zinc/55/05/20/552550520.db2.gz SCPFIUFRTHTVFM-LJAQVGFWSA-N 1 2 538.671 5.942 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149545 552550522 /nfs/dbraw/zinc/55/05/22/552550522.db2.gz SCPFIUFRTHTVFM-LJAQVGFWSA-N 1 2 538.671 5.942 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198014 552569778 /nfs/dbraw/zinc/56/97/78/552569778.db2.gz DQZAICNDCQOMEQ-IZEXYCQBSA-N 1 2 548.691 5.090 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198014 552569780 /nfs/dbraw/zinc/56/97/80/552569780.db2.gz DQZAICNDCQOMEQ-IZEXYCQBSA-N 1 2 548.691 5.090 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198328 552570200 /nfs/dbraw/zinc/57/02/00/552570200.db2.gz KQIWPTCVKBDAII-SSEXGKCCSA-N 1 2 536.655 5.309 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2cc1C ZINC000006320979 552580750 /nfs/dbraw/zinc/58/07/50/552580750.db2.gz ZYLCQSLFGRCUIK-LJAQVGFWSA-N 1 2 538.721 6.142 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2cc1C ZINC000006320979 552580752 /nfs/dbraw/zinc/58/07/52/552580752.db2.gz ZYLCQSLFGRCUIK-LJAQVGFWSA-N 1 2 538.721 6.142 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321365 552581321 /nfs/dbraw/zinc/58/13/21/552581321.db2.gz VUCVBJXEAORNSA-SSEXGKCCSA-N 1 2 536.655 5.363 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc12 ZINC000006322225 552581505 /nfs/dbraw/zinc/58/15/05/552581505.db2.gz IIZZZPJAVFTAFC-GDLZYMKVSA-N 1 2 538.671 5.860 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc12 ZINC000006322225 552581507 /nfs/dbraw/zinc/58/15/07/552581507.db2.gz IIZZZPJAVFTAFC-GDLZYMKVSA-N 1 2 538.671 5.860 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494776 553460601 /nfs/dbraw/zinc/46/06/01/553460601.db2.gz WBMCNJFFHWHVLT-NDEPHWFRSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494776 553460603 /nfs/dbraw/zinc/46/06/03/553460603.db2.gz WBMCNJFFHWHVLT-NDEPHWFRSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494961 553460996 /nfs/dbraw/zinc/46/09/96/553460996.db2.gz CLFIAQUEMFVYQW-SANMLTNESA-N 1 2 514.580 5.303 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494961 553460997 /nfs/dbraw/zinc/46/09/97/553460997.db2.gz CLFIAQUEMFVYQW-SANMLTNESA-N 1 2 514.580 5.303 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494964 553461112 /nfs/dbraw/zinc/46/11/12/553461112.db2.gz RRUIQUUGJLPBSN-HHHXNRCGSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494964 553461115 /nfs/dbraw/zinc/46/11/15/553461115.db2.gz RRUIQUUGJLPBSN-HHHXNRCGSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495247 553461884 /nfs/dbraw/zinc/46/18/84/553461884.db2.gz PSHUGIMTRVGJBR-XMMPIXPASA-N 1 2 514.630 5.129 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495247 553461886 /nfs/dbraw/zinc/46/18/86/553461886.db2.gz PSHUGIMTRVGJBR-XMMPIXPASA-N 1 2 514.630 5.129 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013495784 553462551 /nfs/dbraw/zinc/46/25/51/553462551.db2.gz PMQAZNIVEYAWCA-SANMLTNESA-N 1 2 514.655 5.177 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013495784 553462552 /nfs/dbraw/zinc/46/25/52/553462552.db2.gz PMQAZNIVEYAWCA-SANMLTNESA-N 1 2 514.655 5.177 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013495793 553462867 /nfs/dbraw/zinc/46/28/67/553462867.db2.gz QIGHELZSGFRJHX-HHHXNRCGSA-N 1 2 528.682 5.371 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013495793 553462869 /nfs/dbraw/zinc/46/28/69/553462869.db2.gz QIGHELZSGFRJHX-HHHXNRCGSA-N 1 2 528.682 5.371 40 0 KKABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498685 553464699 /nfs/dbraw/zinc/46/46/99/553464699.db2.gz LYMYTKBEQZZGKV-HHHXNRCGSA-N 1 2 528.682 5.227 40 0 KKABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498685 553464701 /nfs/dbraw/zinc/46/47/01/553464701.db2.gz LYMYTKBEQZZGKV-HHHXNRCGSA-N 1 2 528.682 5.227 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000013498828 553464920 /nfs/dbraw/zinc/46/49/20/553464920.db2.gz UHZLRJCQWACWQP-HHHXNRCGSA-N 1 2 532.689 5.385 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000013498828 553464921 /nfs/dbraw/zinc/46/49/21/553464921.db2.gz UHZLRJCQWACWQP-HHHXNRCGSA-N 1 2 532.689 5.385 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499403 553465491 /nfs/dbraw/zinc/46/54/91/553465491.db2.gz MFVUPILTGLOKAO-AREMUKBSSA-N 1 2 528.657 5.253 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499403 553465494 /nfs/dbraw/zinc/46/54/94/553465494.db2.gz MFVUPILTGLOKAO-AREMUKBSSA-N 1 2 528.657 5.253 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499396 553465522 /nfs/dbraw/zinc/46/55/22/553465522.db2.gz HTQQJZGSHBZKPN-QHCPKHFHSA-N 1 2 520.659 5.006 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499396 553465525 /nfs/dbraw/zinc/46/55/25/553465525.db2.gz HTQQJZGSHBZKPN-QHCPKHFHSA-N 1 2 520.659 5.006 40 0 KKABLO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000013815412 553492889 /nfs/dbraw/zinc/49/28/89/553492889.db2.gz HBAJJGLXFFHEFI-BHAWFMJASA-N 1 2 526.699 5.119 40 0 KKABLO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000013815412 553492891 /nfs/dbraw/zinc/49/28/91/553492891.db2.gz HBAJJGLXFFHEFI-BHAWFMJASA-N 1 2 526.699 5.119 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000070686506 553605276 /nfs/dbraw/zinc/60/52/76/553605276.db2.gz PNDSHIATOJKPKN-ZNSCEPEASA-N 1 2 562.851 5.117 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000070686506 553605278 /nfs/dbraw/zinc/60/52/78/553605278.db2.gz PNDSHIATOJKPKN-ZNSCEPEASA-N 1 2 562.851 5.117 40 0 KKABLO O=C(c1cc(-c2ccccc2)oc1-c1ccccc1)[C@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366009 553614244 /nfs/dbraw/zinc/61/42/44/553614244.db2.gz JTEKZAXKTZZNNV-CONSDPRKSA-N 1 2 522.645 5.571 40 0 KKABLO O=C(c1cc(-c2ccccc2)oc1-c1ccccc1)[C@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366006 553614255 /nfs/dbraw/zinc/61/42/55/553614255.db2.gz JTEKZAXKTZZNNV-JSOSNVBQSA-N 1 2 522.645 5.571 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019941323 553643433 /nfs/dbraw/zinc/64/34/33/553643433.db2.gz DMRWXPVHOJQHOD-LJAQVGFWSA-N 1 2 520.681 5.802 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019941323 553643436 /nfs/dbraw/zinc/64/34/36/553643436.db2.gz DMRWXPVHOJQHOD-LJAQVGFWSA-N 1 2 520.681 5.802 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972887 553649658 /nfs/dbraw/zinc/64/96/58/553649658.db2.gz GCTHGVORHLYHHV-AREMUKBSSA-N 1 2 512.683 5.474 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972887 553649661 /nfs/dbraw/zinc/64/96/61/553649661.db2.gz GCTHGVORHLYHHV-AREMUKBSSA-N 1 2 512.683 5.474 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082334 553681517 /nfs/dbraw/zinc/68/15/17/553681517.db2.gz NYMPHYBSXCYCLE-LJAQVGFWSA-N 1 2 520.681 5.666 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082334 553681519 /nfs/dbraw/zinc/68/15/19/553681519.db2.gz NYMPHYBSXCYCLE-LJAQVGFWSA-N 1 2 520.681 5.666 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000020082646 553682109 /nfs/dbraw/zinc/68/21/09/553682109.db2.gz KRQYDVZNBCFCQI-NDEPHWFRSA-N 1 2 524.694 5.834 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000020082646 553682112 /nfs/dbraw/zinc/68/21/12/553682112.db2.gz KRQYDVZNBCFCQI-NDEPHWFRSA-N 1 2 524.694 5.834 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000020082931 553682840 /nfs/dbraw/zinc/68/28/40/553682840.db2.gz JDUCZYMYAQKRHV-AREMUKBSSA-N 1 2 512.683 5.474 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000020082931 553682843 /nfs/dbraw/zinc/68/28/43/553682843.db2.gz JDUCZYMYAQKRHV-AREMUKBSSA-N 1 2 512.683 5.474 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c12 ZINC000020082944 553682947 /nfs/dbraw/zinc/68/29/47/553682947.db2.gz HZBVMQSQJWEKJW-MUUNZHRXSA-N 1 2 524.644 5.551 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c12 ZINC000020082944 553682949 /nfs/dbraw/zinc/68/29/49/553682949.db2.gz HZBVMQSQJWEKJW-MUUNZHRXSA-N 1 2 524.644 5.551 40 0 KKABLO CCCCCCC(=O)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022446649 553742236 /nfs/dbraw/zinc/74/22/36/553742236.db2.gz LRWSFOSWNAQHHW-UHFFFAOYSA-N 1 2 549.703 6.829 40 0 in-man KKABLO COc1ccc([C@@H](CC(=O)c2ccccc2)N2CC[NH+]([C@@H](CC(=O)c3ccccc3)c3ccc(OC)cc3)CC2)cc1 ZINC000022584767 553747624 /nfs/dbraw/zinc/74/76/24/553747624.db2.gz ZGOIXURTGVYPPF-AQOUDTPCSA-N 1 2 562.710 6.650 40 0 KKABLO COc1ccc([C@@H](CC(=O)c2ccccc2)[NH+]2CCN([C@@H](CC(=O)c3ccccc3)c3ccc(OC)cc3)CC2)cc1 ZINC000022584767 553747625 /nfs/dbraw/zinc/74/76/25/553747625.db2.gz ZGOIXURTGVYPPF-AQOUDTPCSA-N 1 2 562.710 6.650 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 ZINC000022831109 553755050 /nfs/dbraw/zinc/75/50/50/553755050.db2.gz CVXXBDSWKATGJP-UHFFFAOYSA-N 1 2 507.063 5.664 40 0 KKABLO COc1cc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000022838050 553757579 /nfs/dbraw/zinc/75/75/79/553757579.db2.gz LDGIBUMOZJEYAZ-UHFFFAOYSA-N 1 2 513.610 5.095 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4Cl)CC3)cc2c1 ZINC000022869693 553764669 /nfs/dbraw/zinc/76/46/69/553764669.db2.gz ARDYTODMCKLUJH-MUUNZHRXSA-N 1 2 546.119 5.197 40 0 KKABLO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C2CCCCC2)c1C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000098007840 554064564 /nfs/dbraw/zinc/06/45/64/554064564.db2.gz NPGYKIRWFXSPKX-UHFFFAOYSA-N 1 2 596.566 6.642 40 0 KKABLO CCCCCOc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C[NH+]2CCC(Cc4ccccc4)CC2)C3=O)cc1 ZINC000100088086 554209765 /nfs/dbraw/zinc/20/97/65/554209765.db2.gz CFQYNPKWNXBMGJ-UUWRZZSWSA-N 1 2 569.771 6.447 40 0 KKABLO COc1ccc(OC)c(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)c1 ZINC000100271937 554269971 /nfs/dbraw/zinc/26/99/71/554269971.db2.gz LRYGMUGFHXYULK-UHFFFAOYSA-N 1 2 603.770 5.905 40 0 KKABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000044880654 554307242 /nfs/dbraw/zinc/30/72/42/554307242.db2.gz DSNSLRNAFBRDFN-UHFFFAOYSA-N 1 2 509.031 5.182 40 0 KKABLO CCc1cc([C@@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054105792 554349196 /nfs/dbraw/zinc/34/91/96/554349196.db2.gz XWGGRYIMTQUJSN-GDLZYMKVSA-N 1 2 529.681 6.622 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100369246 554355137 /nfs/dbraw/zinc/35/51/37/554355137.db2.gz HZJROFNUWDOVTM-PMERELPUSA-N 1 2 536.680 5.596 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100369246 554355142 /nfs/dbraw/zinc/35/51/42/554355142.db2.gz HZJROFNUWDOVTM-PMERELPUSA-N 1 2 536.680 5.596 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100369254 554355563 /nfs/dbraw/zinc/35/55/63/554355563.db2.gz KEJOAUWMSCDMEX-LJAQVGFWSA-N 1 2 540.643 5.427 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100369254 554355565 /nfs/dbraw/zinc/35/55/65/554355565.db2.gz KEJOAUWMSCDMEX-LJAQVGFWSA-N 1 2 540.643 5.427 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371430 554356837 /nfs/dbraw/zinc/35/68/37/554356837.db2.gz DOSAREBWUUMZHV-PMERELPUSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371430 554356838 /nfs/dbraw/zinc/35/68/38/554356838.db2.gz DOSAREBWUUMZHV-PMERELPUSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371370 554356886 /nfs/dbraw/zinc/35/68/86/554356886.db2.gz GFDCNTVRPJXXIE-GDLZYMKVSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371370 554356888 /nfs/dbraw/zinc/35/68/88/554356888.db2.gz GFDCNTVRPJXXIE-GDLZYMKVSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371432 554356913 /nfs/dbraw/zinc/35/69/13/554356913.db2.gz DOSAREBWUUMZHV-SSEXGKCCSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371432 554356916 /nfs/dbraw/zinc/35/69/16/554356916.db2.gz DOSAREBWUUMZHV-SSEXGKCCSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371948 554357420 /nfs/dbraw/zinc/35/74/20/554357420.db2.gz TVUMMFDYNOTCNC-PMERELPUSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371948 554357423 /nfs/dbraw/zinc/35/74/23/554357423.db2.gz TVUMMFDYNOTCNC-PMERELPUSA-N 1 2 536.680 5.536 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100374534 554358826 /nfs/dbraw/zinc/35/88/26/554358826.db2.gz BIJSBWWTKLDDMA-PMERELPUSA-N 1 2 536.680 5.618 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100374534 554358827 /nfs/dbraw/zinc/35/88/27/554358827.db2.gz BIJSBWWTKLDDMA-PMERELPUSA-N 1 2 536.680 5.618 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640814 554361039 /nfs/dbraw/zinc/36/10/39/554361039.db2.gz AZELIMNGSZBSNN-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640814 554361044 /nfs/dbraw/zinc/36/10/44/554361044.db2.gz AZELIMNGSZBSNN-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000057640698 554361167 /nfs/dbraw/zinc/36/11/67/554361167.db2.gz IRTDGVYTWITKFK-LJAQVGFWSA-N 1 2 506.654 5.473 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000057640698 554361169 /nfs/dbraw/zinc/36/11/69/554361169.db2.gz IRTDGVYTWITKFK-LJAQVGFWSA-N 1 2 506.654 5.473 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641146 554361367 /nfs/dbraw/zinc/36/13/67/554361367.db2.gz HVZUUKHGUJJBIM-HHHXNRCGSA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641146 554361363 /nfs/dbraw/zinc/36/13/63/554361363.db2.gz HVZUUKHGUJJBIM-HHHXNRCGSA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641132 554361422 /nfs/dbraw/zinc/36/14/22/554361422.db2.gz VBNGQSIRRHCUKZ-SANMLTNESA-N 1 2 504.610 5.321 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641132 554361426 /nfs/dbraw/zinc/36/14/26/554361426.db2.gz VBNGQSIRRHCUKZ-SANMLTNESA-N 1 2 504.610 5.321 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640944 554361471 /nfs/dbraw/zinc/36/14/71/554361471.db2.gz MAYMIJACVDLESH-MHZLTWQESA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640944 554361473 /nfs/dbraw/zinc/36/14/73/554361473.db2.gz MAYMIJACVDLESH-MHZLTWQESA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641438 554362169 /nfs/dbraw/zinc/36/21/69/554362169.db2.gz HXNKQMORHBSSHT-SANMLTNESA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641438 554362172 /nfs/dbraw/zinc/36/21/72/554362172.db2.gz HXNKQMORHBSSHT-SANMLTNESA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641470 554362338 /nfs/dbraw/zinc/36/23/38/554362338.db2.gz CMTHAMFPZOJSLQ-SANMLTNESA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641470 554362336 /nfs/dbraw/zinc/36/23/36/554362336.db2.gz CMTHAMFPZOJSLQ-SANMLTNESA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642086 554362971 /nfs/dbraw/zinc/36/29/71/554362971.db2.gz PXHMZUZMDREILY-NDEPHWFRSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642086 554362969 /nfs/dbraw/zinc/36/29/69/554362969.db2.gz PXHMZUZMDREILY-NDEPHWFRSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641913 554363089 /nfs/dbraw/zinc/36/30/89/554363089.db2.gz CYZJIRBRNTWLOS-NDEPHWFRSA-N 1 2 528.607 5.611 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641913 554363086 /nfs/dbraw/zinc/36/30/86/554363086.db2.gz CYZJIRBRNTWLOS-NDEPHWFRSA-N 1 2 528.607 5.611 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642037 554363098 /nfs/dbraw/zinc/36/30/98/554363098.db2.gz DTQJOPLBNTXMAI-RUZDIDTESA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642037 554363095 /nfs/dbraw/zinc/36/30/95/554363095.db2.gz DTQJOPLBNTXMAI-RUZDIDTESA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642403 554363940 /nfs/dbraw/zinc/36/39/40/554363940.db2.gz QKBRNGZUMJNBQG-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642403 554363945 /nfs/dbraw/zinc/36/39/45/554363945.db2.gz QKBRNGZUMJNBQG-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100385036 554364409 /nfs/dbraw/zinc/36/44/09/554364409.db2.gz SRUYMJGYZLQJLT-VWLOTQADSA-N 1 2 572.666 5.063 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100385036 554364411 /nfs/dbraw/zinc/36/44/11/554364411.db2.gz SRUYMJGYZLQJLT-VWLOTQADSA-N 1 2 572.666 5.063 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060016777 554488504 /nfs/dbraw/zinc/48/85/04/554488504.db2.gz ALCMXIZVXMMXGE-UHFFFAOYSA-N 1 2 563.001 5.365 40 0 KKABLO CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1 ZINC000067665431 554533682 /nfs/dbraw/zinc/53/36/82/554533682.db2.gz JSCFLEBEWCTASN-UHFFFAOYSA-N 1 2 570.737 8.522 40 0 in-vitro KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000101064393 554571385 /nfs/dbraw/zinc/57/13/85/554571385.db2.gz ZUEMIEDFYRIAHR-AWTHXPCVSA-N 1 2 576.878 5.426 40 0 KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000101064393 554571387 /nfs/dbraw/zinc/57/13/87/554571387.db2.gz ZUEMIEDFYRIAHR-AWTHXPCVSA-N 1 2 576.878 5.426 40 0 KKABLO C[C@H]1C[C@H](N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000101993985 554864402 /nfs/dbraw/zinc/86/44/02/554864402.db2.gz UJYZBSILMYELGV-QCDSWUKFSA-N 1 2 534.660 5.615 40 0 KKABLO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000103022571 555213548 /nfs/dbraw/zinc/21/35/48/555213548.db2.gz KCPZNGCZFMQZCF-WOXYUUSFSA-N 1 2 617.812 6.063 40 0 KKABLO CCCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2cccnc2)[C@@]2(c3ccccc3NC2=O)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103312196 555358099 /nfs/dbraw/zinc/35/80/99/555358099.db2.gz BDZPJTAIFCPYQM-SPOCJGCTSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2cccnc2)[C@@]2(c3ccccc3NC2=O)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103312196 555358102 /nfs/dbraw/zinc/35/81/02/555358102.db2.gz BDZPJTAIFCPYQM-SPOCJGCTSA-N 1 2 555.634 5.852 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2cccc(OC)c2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103519436 555424892 /nfs/dbraw/zinc/42/48/92/555424892.db2.gz AQRNOAMLJKHOFE-LRXFEKEMSA-N 1 2 570.645 6.076 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2cccc(OC)c2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103519436 555424893 /nfs/dbraw/zinc/42/48/93/555424893.db2.gz AQRNOAMLJKHOFE-LRXFEKEMSA-N 1 2 570.645 6.076 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103521678 555426888 /nfs/dbraw/zinc/42/68/88/555426888.db2.gz NEYJUINPJFJKDW-NIKYWZLZSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103521678 555426892 /nfs/dbraw/zinc/42/68/92/555426892.db2.gz NEYJUINPJFJKDW-NIKYWZLZSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000103525263 555427947 /nfs/dbraw/zinc/42/79/47/555427947.db2.gz ZNIIHSNEHDTJTD-USLVXBFWSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000103525263 555427950 /nfs/dbraw/zinc/42/79/50/555427950.db2.gz ZNIIHSNEHDTJTD-USLVXBFWSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000103526210 555428342 /nfs/dbraw/zinc/42/83/42/555428342.db2.gz WUAODBBQPJEWPB-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000103526210 555428344 /nfs/dbraw/zinc/42/83/44/555428344.db2.gz WUAODBBQPJEWPB-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103527884 555429311 /nfs/dbraw/zinc/42/93/11/555429311.db2.gz VEKHKYBLKOUQSN-GGVMLGSCSA-N 1 2 595.482 6.984 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103527884 555429314 /nfs/dbraw/zinc/42/93/14/555429314.db2.gz VEKHKYBLKOUQSN-GGVMLGSCSA-N 1 2 595.482 6.984 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103529826 555430311 /nfs/dbraw/zinc/43/03/11/555430311.db2.gz TXVNHDUTJPUEOX-NIKYWZLZSA-N 1 2 595.482 6.984 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103529826 555430312 /nfs/dbraw/zinc/43/03/12/555430312.db2.gz TXVNHDUTJPUEOX-NIKYWZLZSA-N 1 2 595.482 6.984 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103530167 555430329 /nfs/dbraw/zinc/43/03/29/555430329.db2.gz ZMFOJBQXCKGMBF-RFMPLWHVSA-N 1 2 584.628 5.602 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103530167 555430331 /nfs/dbraw/zinc/43/03/31/555430331.db2.gz ZMFOJBQXCKGMBF-RFMPLWHVSA-N 1 2 584.628 5.602 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103530163 555430335 /nfs/dbraw/zinc/43/03/35/555430335.db2.gz ZMFOJBQXCKGMBF-AXXJGTDDSA-N 1 2 584.628 5.602 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)=O)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103530163 555430337 /nfs/dbraw/zinc/43/03/37/555430337.db2.gz ZMFOJBQXCKGMBF-AXXJGTDDSA-N 1 2 584.628 5.602 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(F)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103534882 555434733 /nfs/dbraw/zinc/43/47/33/555434733.db2.gz QTWUYFYGPMEWTJ-GYEXEWKGSA-N 1 2 558.609 6.206 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(F)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103534882 555434735 /nfs/dbraw/zinc/43/47/35/555434735.db2.gz QTWUYFYGPMEWTJ-GYEXEWKGSA-N 1 2 558.609 6.206 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103536733 555436374 /nfs/dbraw/zinc/43/63/74/555436374.db2.gz GUASAZBYALXHIT-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103536733 555436379 /nfs/dbraw/zinc/43/63/79/555436379.db2.gz GUASAZBYALXHIT-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288055 571361614 /nfs/dbraw/zinc/36/16/14/571361614.db2.gz BSKCIARFZJDADB-OSZGUBSQSA-N 1 2 614.698 6.474 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288055 571361615 /nfs/dbraw/zinc/36/16/15/571361615.db2.gz BSKCIARFZJDADB-OSZGUBSQSA-N 1 2 614.698 6.474 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287973 571361618 /nfs/dbraw/zinc/36/16/18/571361618.db2.gz FRFQVSQWJGZNEN-FBMCJCTKSA-N 1 2 614.698 6.474 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287973 571361619 /nfs/dbraw/zinc/36/16/19/571361619.db2.gz FRFQVSQWJGZNEN-FBMCJCTKSA-N 1 2 614.698 6.474 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103528685 571361710 /nfs/dbraw/zinc/36/17/10/571361710.db2.gz STOAPNMOTXHAIM-KCQQKVKYSA-N 1 2 556.618 5.686 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103528685 571361711 /nfs/dbraw/zinc/36/17/11/571361711.db2.gz STOAPNMOTXHAIM-KCQQKVKYSA-N 1 2 556.618 5.686 40 0 KKABLO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000104132846 571374582 /nfs/dbraw/zinc/37/45/82/571374582.db2.gz BOKJXXZRQBPMRC-HQMQMYHNSA-N 1 2 558.565 5.536 40 0 KKABLO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000104132846 571374584 /nfs/dbraw/zinc/37/45/84/571374584.db2.gz BOKJXXZRQBPMRC-HQMQMYHNSA-N 1 2 558.565 5.536 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3n2)cc1 ZINC000105025990 571389744 /nfs/dbraw/zinc/38/97/44/571389744.db2.gz OOXNYHWMRJRBMO-UHFFFAOYSA-N 1 2 557.507 6.017 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cc(Br)cc(Br)c4OC)cc3n2)cc1 ZINC000105025906 571389816 /nfs/dbraw/zinc/38/98/16/571389816.db2.gz MDTRGJSLGHTTBL-KPKJPENVSA-N 1 2 613.354 6.761 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)cc3n2)c(C)c1 ZINC000105313922 571398119 /nfs/dbraw/zinc/39/81/19/571398119.db2.gz YOYFZRIEYWRXBR-UHFFFAOYSA-N 1 2 541.508 6.317 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3n2)c(C)c1 ZINC000105314001 571398220 /nfs/dbraw/zinc/39/82/20/571398220.db2.gz DBXNTETZJKHQAE-UHFFFAOYSA-N 1 2 571.534 6.326 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(I)cc4)cc3n2)c(C)c1 ZINC000105313943 571398317 /nfs/dbraw/zinc/39/83/17/571398317.db2.gz PLINZZSWVCXGLA-UHFFFAOYSA-N 1 2 598.514 5.615 40 0 KKABLO O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000105355336 571404214 /nfs/dbraw/zinc/40/42/14/571404214.db2.gz NRGSISGDIZYJFG-NTCAYCPXSA-N 1 2 532.471 7.228 40 0 KKABLO Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223170968 571440292 /nfs/dbraw/zinc/44/02/92/571440292.db2.gz XQJQSUBTUDXOBQ-SXOMAYOGSA-N 1 2 524.134 5.146 40 0 KKABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223199156 571443849 /nfs/dbraw/zinc/44/38/49/571443849.db2.gz QDVQJEJTEASLBD-BJKOFHAPSA-N 1 2 515.104 5.174 40 0 KKABLO CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382873 571467438 /nfs/dbraw/zinc/46/74/38/571467438.db2.gz AUNVCPABFDBZRA-CRKOEVGVSA-N 1 2 797.033 9.658 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000150428366 571491995 /nfs/dbraw/zinc/49/19/95/571491995.db2.gz XSWDFWVEFIXRBE-IZJWOVIGSA-N 1 2 633.498 6.356 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000150428366 571491996 /nfs/dbraw/zinc/49/19/96/571491996.db2.gz XSWDFWVEFIXRBE-IZJWOVIGSA-N 1 2 633.498 6.356 40 0 KKABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CSc1ccc(Cl)cc1 ZINC000224390412 571536287 /nfs/dbraw/zinc/53/62/87/571536287.db2.gz BUQWVZUXMLYJDG-UHFFFAOYSA-N 1 2 511.043 5.328 40 0 KKABLO COc1ccc(-c2nnc(SCCN3CC[NH+](CCSc4nnc(-c5ccc(OC)cc5)n4-c4ccccc4)CC3)n2-c2ccccc2)cc1 ZINC000163588807 571537242 /nfs/dbraw/zinc/53/72/42/571537242.db2.gz MHXXOYXHOOJTNI-UHFFFAOYSA-N 1 2 704.926 6.701 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(Cl)cc1 ZINC000224503714 571562150 /nfs/dbraw/zinc/56/21/50/571562150.db2.gz DYSYQAYMGCUOHG-UHFFFAOYSA-N 1 2 509.002 5.004 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1C(C)C ZINC000224569923 571576771 /nfs/dbraw/zinc/57/67/71/571576771.db2.gz VPUFEINZDNNNDO-UHFFFAOYSA-N 1 2 516.638 5.474 40 0 KKABLO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000215940948 571588802 /nfs/dbraw/zinc/58/88/02/571588802.db2.gz WFFQHFFPKBASDB-UHFFFAOYSA-N 1 2 571.102 6.160 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000225079994 571645089 /nfs/dbraw/zinc/64/50/89/571645089.db2.gz WBKTUDMOJNSHQE-SAIUNTKASA-N 1 2 588.737 6.133 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000225080071 571645107 /nfs/dbraw/zinc/64/51/07/571645107.db2.gz WBKTUDMOJNSHQE-LQJZCPKCSA-N 1 2 588.737 6.133 40 0 KKABLO Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000225651948 571999714 /nfs/dbraw/zinc/99/97/14/571999714.db2.gz LWSRAMQOOZEVNT-WDYNHAJCSA-N 1 2 524.694 5.248 40 0 KKABLO Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225691164 572026261 /nfs/dbraw/zinc/02/62/61/572026261.db2.gz SASMZNSWRQDDIU-WDYNHAJCSA-N 1 2 524.694 5.248 40 0 KKABLO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccccc3C[NH+]3CCOCC3)c2)cc1 ZINC000225778574 572066441 /nfs/dbraw/zinc/06/64/41/572066441.db2.gz USLJCUOFIINGKP-UHFFFAOYSA-N 1 2 501.696 5.534 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc(Cl)cc(Br)c1OC(=O)CC ZINC000261361581 572103490 /nfs/dbraw/zinc/10/34/90/572103490.db2.gz ABFXTFCUQYCLED-HSZRJFAPSA-O 1 2 578.896 5.284 40 0 KKABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc(I)c1O ZINC000261361962 572103777 /nfs/dbraw/zinc/10/37/77/572103777.db2.gz FCQLYIVMFKNPDR-HSZRJFAPSA-O 1 2 585.447 5.110 40 0 KKABLO CCCCCCOc1ccccc1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCCCC)n[n+]21 ZINC000261362332 572104119 /nfs/dbraw/zinc/10/41/19/572104119.db2.gz CYISPEWUBVDORS-HHHXNRCGSA-O 1 2 507.680 5.901 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@H]1c1ccccc1OCc1ccccc1 ZINC000261363344 572105024 /nfs/dbraw/zinc/10/50/24/572105024.db2.gz GXFJWWXEZGXCHL-HKBQPEDESA-O 1 2 582.105 6.575 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000261363345 572105174 /nfs/dbraw/zinc/10/51/74/572105174.db2.gz GXFJWWXEZGXCHL-WJOKGBTCSA-O 1 2 582.105 6.575 40 0 KKABLO CCOc1cc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OCc1ccccc1 ZINC000261363934 572105773 /nfs/dbraw/zinc/10/57/73/572105773.db2.gz IPJVZHOXHGWHQX-NDEPHWFRSA-O 1 2 529.642 5.140 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)cc(Br)c1OC(C)=O ZINC000261364617 572106899 /nfs/dbraw/zinc/10/68/99/572106899.db2.gz MNZWHIWUYCECFE-VWLOTQADSA-O 1 2 606.950 6.064 40 0 KKABLO O=c1[nH]c(SCc2ccccc2F)n[n+]2c1-c1ccccc1N[C@H]2c1cc(O)ccc1Br ZINC000261364963 572107312 /nfs/dbraw/zinc/10/73/12/572107312.db2.gz OYZYDCMIKVRMLU-OAQYLSRUSA-O 1 2 512.384 5.009 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cc(Br)c(O)c(OCC)c1 ZINC000261365641 572107907 /nfs/dbraw/zinc/10/79/07/572107907.db2.gz UJMIPBDGZVKDBX-FQEVSTJZSA-O 1 2 583.326 5.631 40 0 KKABLO CC(=O)Oc1ccc(Br)c([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)c1 ZINC000261365432 572108052 /nfs/dbraw/zinc/10/80/52/572108052.db2.gz SFJYCVJHFKNNFY-SANMLTNESA-O 1 2 578.468 5.030 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(C)nn(-c2ccccc2)c1Cl ZINC000261366067 572108332 /nfs/dbraw/zinc/10/83/32/572108332.db2.gz XEODLGSRAKBWEA-SANMLTNESA-O 1 2 536.081 5.480 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc(Cl)cc(OC)c1OC(=O)CC ZINC000261365867 572108350 /nfs/dbraw/zinc/10/83/50/572108350.db2.gz VYARSFUHFZMDFE-AREMUKBSSA-O 1 2 558.080 5.310 40 0 KKABLO CC(C)(C)c1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc(C(C)(C)C)c1O ZINC000261366374 572109254 /nfs/dbraw/zinc/10/92/54/572109254.db2.gz ZHWTVDMIXFDZRB-HHHXNRCGSA-O 1 2 562.159 7.355 40 0 KKABLO OCCCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328979993 572147338 /nfs/dbraw/zinc/14/73/38/572147338.db2.gz GKAMIJLQLCUQHO-UHFFFAOYSA-N 1 2 506.834 5.096 40 0 KKABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2Cl)cc1C ZINC000408546079 572221504 /nfs/dbraw/zinc/22/15/04/572221504.db2.gz QIOHJOPNTWEIMU-UHFFFAOYSA-N 1 2 574.146 6.305 40 0 KKABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1ccccc1F ZINC000408559475 572246737 /nfs/dbraw/zinc/24/67/37/572246737.db2.gz MFOJSPDDTSVUHQ-UHFFFAOYSA-N 1 2 573.690 5.573 40 0 KKABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408561827 572248314 /nfs/dbraw/zinc/24/83/14/572248314.db2.gz VTIMTMVSWXEERX-UHFFFAOYSA-N 1 2 590.145 6.087 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000408611309 572276516 /nfs/dbraw/zinc/27/65/16/572276516.db2.gz TUXZAYGTNGXXQY-RMKNXTFCSA-N 1 2 557.638 5.067 40 0 KKABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(C)c(Cl)c1 ZINC000408622580 572282161 /nfs/dbraw/zinc/28/21/61/572282161.db2.gz PGFVIAMUTCWPBO-JXMROGBWSA-N 1 2 568.139 5.018 40 0 KKABLO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408625528 572283515 /nfs/dbraw/zinc/28/35/15/572283515.db2.gz SUYCNAQHDAOIGJ-VMPITWQZSA-N 1 2 544.504 5.046 40 0 KKABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4nc5ccc(Cl)cc5s4)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257255122 572311533 /nfs/dbraw/zinc/31/15/33/572311533.db2.gz KGEHJITVOUNGDO-RUZDIDTESA-N 1 2 625.216 5.364 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC2 ZINC000257282955 572314104 /nfs/dbraw/zinc/31/41/04/572314104.db2.gz OWASITOVRDWKSK-UHFFFAOYSA-N 1 2 582.166 5.813 40 0 KKABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)c3cccc(F)c3)C4)sc2c1 ZINC000257297987 572315599 /nfs/dbraw/zinc/31/55/99/572315599.db2.gz RJPYMZSAWFVUPF-UHFFFAOYSA-N 1 2 574.744 5.118 40 0 KKABLO Cc1sc(NC(=O)C[N@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)nc1-c1ccc(F)cc1 ZINC000257304454 572316325 /nfs/dbraw/zinc/31/63/25/572316325.db2.gz SLSMYNVZQPNGEJ-WNCULLNHSA-N 1 2 515.626 5.266 40 0 KKABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)nc1-c1ccc(F)cc1 ZINC000257304454 572316326 /nfs/dbraw/zinc/31/63/26/572316326.db2.gz SLSMYNVZQPNGEJ-WNCULLNHSA-N 1 2 515.626 5.266 40 0 KKABLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)c2cccc(F)c2)C3)nc1-c1ccc(F)cc1 ZINC000257340319 572319857 /nfs/dbraw/zinc/31/98/57/572319857.db2.gz ZFMQAYQBTIGOLY-UHFFFAOYSA-N 1 2 588.746 5.681 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2C)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408985168 1070345879 /nfs/dbraw/zinc/34/58/79/1070345879.db2.gz ABERNYOQUIWBPO-JOCHJYFZSA-N 1 2 506.455 5.820 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408992872 1070357201 /nfs/dbraw/zinc/35/72/01/1070357201.db2.gz UVNASVKYIPTIAC-QFIPXVFZSA-N 1 2 506.455 5.820 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000104121951 1070935419 /nfs/dbraw/zinc/93/54/19/1070935419.db2.gz JDYLPBHLJDLZSD-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000104121951 1070935433 /nfs/dbraw/zinc/93/54/33/1070935433.db2.gz JDYLPBHLJDLZSD-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1cccc(OCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000585292227 1071046607 /nfs/dbraw/zinc/04/66/07/1071046607.db2.gz GGBIACVTXCUOJC-OIZHIJAMSA-N 1 2 530.068 7.061 40 0 KKABLO O=C(Nc1ccccc1)[C@@H](NCC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000408734055 1071567750 /nfs/dbraw/zinc/56/77/50/1071567750.db2.gz GRRAWPSOGGRSIP-NSOVKSMOSA-N 1 2 547.486 6.232 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCc4ccc(Cl)cc4)sc3c2)CC1 ZINC000408750284 1071676575 /nfs/dbraw/zinc/67/65/75/1071676575.db2.gz ZGCQRCGYNGFTCQ-UHFFFAOYSA-N 1 2 537.110 5.882 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCC(=O)c4ccc(Cl)cc4)sc3c2)CC1 ZINC000408749713 1071681624 /nfs/dbraw/zinc/68/16/24/1071681624.db2.gz SDZZSQGYICGOKO-UHFFFAOYSA-N 1 2 565.120 5.565 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccc(OC)cc2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000409333743 1072351443 /nfs/dbraw/zinc/35/14/43/1072351443.db2.gz IYLPMPWFTOPBFD-NRFANRHFSA-N 1 2 508.427 5.211 40 0 KKABLO COc1cc([C@@H](CC(=O)NCCn2cc[nH+]c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138823 1073181356 /nfs/dbraw/zinc/18/13/56/1073181356.db2.gz SXCBEXMFBMRBJI-BKMJKUGQSA-N 1 2 649.741 5.140 40 0 KKABLO COc1cccc(C2=C(C(=O)Nc3cc(OC)c(Cl)cc3OC)[C@@H](C)Nc3[nH+]c4ccccc4n32)c1 ZINC000001068766 551602577 /nfs/dbraw/zinc/60/25/77/551602577.db2.gz YLSAFXWKRZPXJM-OAHLLOKOSA-N 1 2 504.974 5.428 40 0 KKABLO CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334469 551645365 /nfs/dbraw/zinc/64/53/65/551645365.db2.gz SFWWBRREUSOLRN-GDLZYMKVSA-N 1 2 572.616 5.012 40 0 KKABLO CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334469 551645367 /nfs/dbraw/zinc/64/53/67/551645367.db2.gz SFWWBRREUSOLRN-GDLZYMKVSA-N 1 2 572.616 5.012 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335477 551645411 /nfs/dbraw/zinc/64/54/11/551645411.db2.gz LVRWKEJMGWHUMS-GDLZYMKVSA-N 1 2 538.652 5.124 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335477 551645413 /nfs/dbraw/zinc/64/54/13/551645413.db2.gz LVRWKEJMGWHUMS-GDLZYMKVSA-N 1 2 538.652 5.124 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374202 551653523 /nfs/dbraw/zinc/65/35/23/551653523.db2.gz WTCQANNEUZZZMV-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374202 551653524 /nfs/dbraw/zinc/65/35/24/551653524.db2.gz WTCQANNEUZZZMV-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374733 551654713 /nfs/dbraw/zinc/65/47/13/551654713.db2.gz OVRIOMKDDUMKSS-MHZLTWQESA-N 1 2 530.579 5.003 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374733 551654716 /nfs/dbraw/zinc/65/47/16/551654716.db2.gz OVRIOMKDDUMKSS-MHZLTWQESA-N 1 2 530.579 5.003 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375497 551657353 /nfs/dbraw/zinc/65/73/53/551657353.db2.gz KKPLKKQAMKTCKV-VWLOTQADSA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375497 551657356 /nfs/dbraw/zinc/65/73/56/551657356.db2.gz KKPLKKQAMKTCKV-VWLOTQADSA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375498 551657377 /nfs/dbraw/zinc/65/73/77/551657377.db2.gz KKPLKKQAMKTCKV-RUZDIDTESA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375498 551657379 /nfs/dbraw/zinc/65/73/79/551657379.db2.gz KKPLKKQAMKTCKV-RUZDIDTESA-N 1 2 500.578 5.065 40 0 KKABLO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000001533058 551684030 /nfs/dbraw/zinc/68/40/30/551684030.db2.gz JJKOTMDDZAJTGQ-DQSJHHFOSA-N 1 2 523.458 7.135 40 0 investigational KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000002343725 552098521 /nfs/dbraw/zinc/09/85/21/552098521.db2.gz HWLZFNGKLIGLMZ-MIPYOGIXSA-N 1 2 544.582 5.674 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000002343725 552098524 /nfs/dbraw/zinc/09/85/24/552098524.db2.gz HWLZFNGKLIGLMZ-MIPYOGIXSA-N 1 2 544.582 5.674 40 0 KKABLO CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460353 552502551 /nfs/dbraw/zinc/50/25/51/552502551.db2.gz YZYMLQGNRSZFFE-RVQNBHMFSA-N 1 2 626.710 5.571 40 0 KKABLO CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460353 552502553 /nfs/dbraw/zinc/50/25/53/552502553.db2.gz YZYMLQGNRSZFFE-RVQNBHMFSA-N 1 2 626.710 5.571 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006197937 552569588 /nfs/dbraw/zinc/56/95/88/552569588.db2.gz AKXWYYPFOAWHQY-LJAQVGFWSA-N 1 2 538.721 6.088 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006197937 552569590 /nfs/dbraw/zinc/56/95/90/552569590.db2.gz AKXWYYPFOAWHQY-LJAQVGFWSA-N 1 2 538.721 6.088 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006198120 552569997 /nfs/dbraw/zinc/56/99/97/552569997.db2.gz RZNFTSBMSMXBTB-GDLZYMKVSA-N 1 2 538.671 5.805 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006198120 552569999 /nfs/dbraw/zinc/56/99/99/552569999.db2.gz RZNFTSBMSMXBTB-GDLZYMKVSA-N 1 2 538.671 5.805 40 0 KKABLO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239475 552572637 /nfs/dbraw/zinc/57/26/37/552572637.db2.gz UQYBROFADVCCQY-LJAQVGFWSA-N 1 2 542.684 5.081 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006282572 552577739 /nfs/dbraw/zinc/57/77/39/552577739.db2.gz QTUOJOKASDXPTB-NDEPHWFRSA-N 1 2 540.693 5.534 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006282572 552577741 /nfs/dbraw/zinc/57/77/41/552577741.db2.gz QTUOJOKASDXPTB-NDEPHWFRSA-N 1 2 540.693 5.534 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006282597 552577783 /nfs/dbraw/zinc/57/77/83/552577783.db2.gz LFYCLAPRDWVHIN-HKBQPEDESA-N 1 2 548.691 5.863 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006282597 552577785 /nfs/dbraw/zinc/57/77/85/552577785.db2.gz LFYCLAPRDWVHIN-HKBQPEDESA-N 1 2 548.691 5.863 40 0 KKABLO Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006301945 552580689 /nfs/dbraw/zinc/58/06/89/552580689.db2.gz LJMRAQSCAVEYGO-SSEXGKCCSA-N 1 2 518.665 5.224 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2cc1C ZINC000006321214 552581092 /nfs/dbraw/zinc/58/10/92/552581092.db2.gz ZYLCQSLFGRCUIK-GDLZYMKVSA-N 1 2 538.721 6.142 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2cc1C ZINC000006321214 552581093 /nfs/dbraw/zinc/58/10/93/552581093.db2.gz ZYLCQSLFGRCUIK-GDLZYMKVSA-N 1 2 538.721 6.142 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006408845 552582929 /nfs/dbraw/zinc/58/29/29/552582929.db2.gz RQEFZYQRHLHVFF-LJAQVGFWSA-N 1 2 522.628 5.055 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c12 ZINC000006443598 552585730 /nfs/dbraw/zinc/58/57/30/552585730.db2.gz KQRIBXUQWZJUME-PMERELPUSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c12 ZINC000006443598 552585731 /nfs/dbraw/zinc/58/57/31/552585731.db2.gz KQRIBXUQWZJUME-PMERELPUSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c12 ZINC000006443917 552586087 /nfs/dbraw/zinc/58/60/87/552586087.db2.gz KQRIBXUQWZJUME-SSEXGKCCSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c12 ZINC000006443917 552586088 /nfs/dbraw/zinc/58/60/88/552586088.db2.gz KQRIBXUQWZJUME-SSEXGKCCSA-N 1 2 536.655 5.912 40 0 KKABLO COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000012880156 553425221 /nfs/dbraw/zinc/42/52/21/553425221.db2.gz SBZODKGEUAZEFW-MUUNZHRXSA-N 1 2 516.667 5.244 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494674 553460274 /nfs/dbraw/zinc/46/02/74/553460274.db2.gz WGWPWNJOAKRJFU-MHZLTWQESA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494674 553460276 /nfs/dbraw/zinc/46/02/76/553460276.db2.gz WGWPWNJOAKRJFU-MHZLTWQESA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494672 553460368 /nfs/dbraw/zinc/46/03/68/553460368.db2.gz WGWPWNJOAKRJFU-HHHXNRCGSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494672 553460370 /nfs/dbraw/zinc/46/03/70/553460370.db2.gz WGWPWNJOAKRJFU-HHHXNRCGSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494813 553460612 /nfs/dbraw/zinc/46/06/12/553460612.db2.gz UNOPAKRNPVKYHD-LJAQVGFWSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494813 553460613 /nfs/dbraw/zinc/46/06/13/553460613.db2.gz UNOPAKRNPVKYHD-LJAQVGFWSA-N 1 2 506.654 5.528 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013494863 553460858 /nfs/dbraw/zinc/46/08/58/553460858.db2.gz HCMJLMOVLVIJIO-MHZLTWQESA-N 1 2 512.614 5.017 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013494863 553460859 /nfs/dbraw/zinc/46/08/59/553460859.db2.gz HCMJLMOVLVIJIO-MHZLTWQESA-N 1 2 512.614 5.017 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495026 553461087 /nfs/dbraw/zinc/46/10/87/553461087.db2.gz AGUXERPXXRYADK-SANMLTNESA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495026 553461089 /nfs/dbraw/zinc/46/10/89/553461089.db2.gz AGUXERPXXRYADK-SANMLTNESA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495128 553461620 /nfs/dbraw/zinc/46/16/20/553461620.db2.gz FCCIFEPELKMRBQ-NDEPHWFRSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495128 553461621 /nfs/dbraw/zinc/46/16/21/553461621.db2.gz FCCIFEPELKMRBQ-NDEPHWFRSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495781 553462483 /nfs/dbraw/zinc/46/24/83/553462483.db2.gz HLCOZNCBTOPDLJ-SANMLTNESA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495781 553462485 /nfs/dbraw/zinc/46/24/85/553462485.db2.gz HLCOZNCBTOPDLJ-SANMLTNESA-N 1 2 512.683 5.589 40 0 KKABLO COc1ccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498769 553464650 /nfs/dbraw/zinc/46/46/50/553464650.db2.gz ZBNMQVCOLBVLJC-HHHXNRCGSA-N 1 2 528.682 5.227 40 0 KKABLO COc1ccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498769 553464652 /nfs/dbraw/zinc/46/46/52/553464652.db2.gz ZBNMQVCOLBVLJC-HHHXNRCGSA-N 1 2 528.682 5.227 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499404 553465453 /nfs/dbraw/zinc/46/54/53/553465453.db2.gz MFVUPILTGLOKAO-SANMLTNESA-N 1 2 528.657 5.253 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499404 553465455 /nfs/dbraw/zinc/46/54/55/553465455.db2.gz MFVUPILTGLOKAO-SANMLTNESA-N 1 2 528.657 5.253 40 0 KKABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 ZINC000013565002 553472694 /nfs/dbraw/zinc/47/26/94/553472694.db2.gz FOHQDWQIPFHBEZ-UHFFFAOYSA-N 1 2 526.637 5.457 40 0 KKABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 ZINC000013565002 553472698 /nfs/dbraw/zinc/47/26/98/553472698.db2.gz FOHQDWQIPFHBEZ-UHFFFAOYSA-N 1 2 526.637 5.457 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3n2)c(C)c1 ZINC000014275843 553508905 /nfs/dbraw/zinc/50/89/05/553508905.db2.gz BZMJKWQCWFBESD-UHFFFAOYSA-N 1 2 514.699 6.134 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)c(C)c1 ZINC000014278570 553510930 /nfs/dbraw/zinc/51/09/30/553510930.db2.gz KXMNRIOWYZCTHH-UHFFFAOYSA-N 1 2 506.050 6.171 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015675830 553534022 /nfs/dbraw/zinc/53/40/22/553534022.db2.gz XCSSUVPLDQCOJR-SFHVURJKSA-N 1 2 504.856 5.343 40 0 biogenic,in-vitro KKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015675830 553534023 /nfs/dbraw/zinc/53/40/23/553534023.db2.gz XCSSUVPLDQCOJR-SFHVURJKSA-N 1 2 504.856 5.343 40 0 biogenic,in-vitro KKABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015707197 553534530 /nfs/dbraw/zinc/53/45/30/553534530.db2.gz NNOJQUMGRVWOND-DEOSSOPVSA-N 1 2 508.538 5.121 40 0 biogenic,in-vitro KKABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015707197 553534532 /nfs/dbraw/zinc/53/45/32/553534532.db2.gz NNOJQUMGRVWOND-DEOSSOPVSA-N 1 2 508.538 5.121 40 0 biogenic,in-vitro KKABLO CCOc1ccc([C@H]2Nc3[nH+]c4ccccc4n3C(C)=C2C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000020176389 553601973 /nfs/dbraw/zinc/60/19/73/553601973.db2.gz WYDOKZMZMNSXLW-AREMUKBSSA-N 1 2 519.001 6.142 40 0 KKABLO O=C(C[N@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000072341224 553650822 /nfs/dbraw/zinc/65/08/22/553650822.db2.gz PKLCBASEWNHJEJ-UHFFFAOYSA-N 1 2 516.642 5.366 40 0 KKABLO O=C(C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000072341224 553650827 /nfs/dbraw/zinc/65/08/27/553650827.db2.gz PKLCBASEWNHJEJ-UHFFFAOYSA-N 1 2 516.642 5.366 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(F)cc5)o4)cc3n2)c(C)c1 ZINC000020611085 553679306 /nfs/dbraw/zinc/67/93/06/553679306.db2.gz CNJMTKBCSJQHDO-DTQAZKPQSA-N 1 2 523.612 6.935 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082331 553681323 /nfs/dbraw/zinc/68/13/23/553681323.db2.gz NYMPHYBSXCYCLE-GDLZYMKVSA-N 1 2 520.681 5.666 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082331 553681325 /nfs/dbraw/zinc/68/13/25/553681325.db2.gz NYMPHYBSXCYCLE-GDLZYMKVSA-N 1 2 520.681 5.666 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020083782 553684800 /nfs/dbraw/zinc/68/48/00/553684800.db2.gz DFAKZFQJUSNYGM-NDEPHWFRSA-N 1 2 522.653 5.113 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020083782 553684803 /nfs/dbraw/zinc/68/48/03/553684803.db2.gz DFAKZFQJUSNYGM-NDEPHWFRSA-N 1 2 522.653 5.113 40 0 KKABLO O=C(C[C@@H](c1ccccc1)N1CC[NH+]([C@@H](CC(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000022584746 553747640 /nfs/dbraw/zinc/74/76/40/553747640.db2.gz KCDOUMKACNPCRR-ACHIHNKUSA-N 1 2 502.658 6.633 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3n2)cc1 ZINC000022835966 553756780 /nfs/dbraw/zinc/75/67/80/553756780.db2.gz HPXGOGXKHOOSQJ-UHFFFAOYSA-N 1 2 511.670 6.640 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000027298016 553825358 /nfs/dbraw/zinc/82/53/58/553825358.db2.gz APGPFMWEWCRIEW-CJRSTVEYSA-N 1 2 504.373 5.148 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000027298016 553825359 /nfs/dbraw/zinc/82/53/59/553825359.db2.gz APGPFMWEWCRIEW-CJRSTVEYSA-N 1 2 504.373 5.148 40 0 KKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943184 553860759 /nfs/dbraw/zinc/86/07/59/553860759.db2.gz GOTUINSWICRYNR-LJQANCHMSA-N 1 2 501.841 6.729 40 0 KKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943184 553860762 /nfs/dbraw/zinc/86/07/62/553860762.db2.gz GOTUINSWICRYNR-LJQANCHMSA-N 1 2 501.841 6.729 40 0 KKABLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccccc2)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000097999596 554044415 /nfs/dbraw/zinc/04/44/15/554044415.db2.gz DNHREJPBNLHGJH-NHLQCZFHSA-N 1 2 597.821 10.193 40 0 KKABLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccccc2)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000097999596 554044417 /nfs/dbraw/zinc/04/44/17/554044417.db2.gz DNHREJPBNLHGJH-NHLQCZFHSA-N 1 2 597.821 10.193 40 0 KKABLO O=C(OCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000053073961 554329590 /nfs/dbraw/zinc/32/95/90/554329590.db2.gz NWGGKKGAFZIVBJ-UHFFFAOYSA-N 1 2 588.552 6.995 40 0 world KKABLO O=C(OCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000053073961 554329594 /nfs/dbraw/zinc/32/95/94/554329594.db2.gz NWGGKKGAFZIVBJ-UHFFFAOYSA-N 1 2 588.552 6.995 40 0 world KKABLO COc1ccc(CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2Cl)c2ccc(F)cc2)cc1OC ZINC000100346525 554330395 /nfs/dbraw/zinc/33/03/95/554330395.db2.gz AXNCKHYWOVYQIZ-UHFFFAOYSA-N 1 2 564.042 5.951 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000100354286 554333355 /nfs/dbraw/zinc/33/33/55/554333355.db2.gz LNTSDTIJLADQLW-HKBQPEDESA-N 1 2 596.732 5.520 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000100354286 554333359 /nfs/dbraw/zinc/33/33/59/554333359.db2.gz LNTSDTIJLADQLW-HKBQPEDESA-N 1 2 596.732 5.520 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372578 554357911 /nfs/dbraw/zinc/35/79/11/554357911.db2.gz FXXLTDJPROGUDO-GDLZYMKVSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372578 554357913 /nfs/dbraw/zinc/35/79/13/554357913.db2.gz FXXLTDJPROGUDO-GDLZYMKVSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100374467 554358809 /nfs/dbraw/zinc/35/88/09/554358809.db2.gz UHLCOBQEKQLCJI-LJAQVGFWSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100374467 554358810 /nfs/dbraw/zinc/35/88/10/554358810.db2.gz UHLCOBQEKQLCJI-LJAQVGFWSA-N 1 2 536.680 5.650 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100374924 554359211 /nfs/dbraw/zinc/35/92/11/554359211.db2.gz IFLLWIROTVTKPC-GDLZYMKVSA-N 1 2 540.643 5.449 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100374924 554359212 /nfs/dbraw/zinc/35/92/12/554359212.db2.gz IFLLWIROTVTKPC-GDLZYMKVSA-N 1 2 540.643 5.449 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100374984 554359220 /nfs/dbraw/zinc/35/92/20/554359220.db2.gz UQRJVQGFYPBXRA-NDEPHWFRSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100374984 554359223 /nfs/dbraw/zinc/35/92/23/554359223.db2.gz UQRJVQGFYPBXRA-NDEPHWFRSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641036 554361444 /nfs/dbraw/zinc/36/14/44/554361444.db2.gz VEQMDDLBFKBJCL-HHHXNRCGSA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641036 554361441 /nfs/dbraw/zinc/36/14/41/554361441.db2.gz VEQMDDLBFKBJCL-HHHXNRCGSA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641561 554362087 /nfs/dbraw/zinc/36/20/87/554362087.db2.gz RUJQLNOVNIOCGM-LJAQVGFWSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641561 554362090 /nfs/dbraw/zinc/36/20/90/554362090.db2.gz RUJQLNOVNIOCGM-LJAQVGFWSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641804 554362533 /nfs/dbraw/zinc/36/25/33/554362533.db2.gz IAHYGRDGIMNLMU-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641804 554362537 /nfs/dbraw/zinc/36/25/37/554362537.db2.gz IAHYGRDGIMNLMU-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641672 554362578 /nfs/dbraw/zinc/36/25/78/554362578.db2.gz FOAPWRSULCHEKH-AREMUKBSSA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641672 554362580 /nfs/dbraw/zinc/36/25/80/554362580.db2.gz FOAPWRSULCHEKH-AREMUKBSSA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641879 554363079 /nfs/dbraw/zinc/36/30/79/554363079.db2.gz TUVCQNBHNHNJQS-LJAQVGFWSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641879 554363077 /nfs/dbraw/zinc/36/30/77/554363077.db2.gz TUVCQNBHNHNJQS-LJAQVGFWSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642213 554363576 /nfs/dbraw/zinc/36/35/76/554363576.db2.gz BYDCFUZHFKUPEM-AREMUKBSSA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642213 554363581 /nfs/dbraw/zinc/36/35/81/554363581.db2.gz BYDCFUZHFKUPEM-AREMUKBSSA-N 1 2 502.638 5.929 40 0 KKABLO CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000059331613 554389974 /nfs/dbraw/zinc/38/99/74/554389974.db2.gz CNKQEQYMKSNRQK-UHFFFAOYSA-N 1 2 516.671 5.409 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)c(C)c1 ZINC000059331871 554391930 /nfs/dbraw/zinc/39/19/30/554391930.db2.gz VKCGXBWNPXXKFH-UHFFFAOYSA-N 1 2 519.649 6.715 40 0 KKABLO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Br)cc3C(F)(F)F)o2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000100451455 554395659 /nfs/dbraw/zinc/39/56/59/554395659.db2.gz CHHYWKQZTVDXRD-LFVJCYFKSA-N 1 2 601.423 6.210 40 0 KKABLO Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000100455093 554396073 /nfs/dbraw/zinc/39/60/73/554396073.db2.gz CXDAXOHKRLSDAW-XHPQRKPJSA-N 1 2 561.469 6.077 40 0 KKABLO COc1ccccc1[C@@H]1N[C@@H](c2ccccc2OC)C2C(=O)C1[C@@H](c1ccccc1OC)[NH2+][C@@H]2c1ccccc1OC ZINC000059844319 554448077 /nfs/dbraw/zinc/44/80/77/554448077.db2.gz ISMZWGPNPCOVDV-HEOWHWMBSA-N 1 2 564.682 5.994 40 0 KKABLO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000060028877 554496666 /nfs/dbraw/zinc/49/66/66/554496666.db2.gz NGTDHGPJUCVCBZ-UHFFFAOYSA-N 1 2 536.657 5.506 40 0 KKABLO CCCOc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308891 555357382 /nfs/dbraw/zinc/35/73/82/555357382.db2.gz AFZHKYXVJZOBBU-XKEBTDTJSA-N 1 2 589.091 7.111 40 0 KKABLO CCCOc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308891 555357387 /nfs/dbraw/zinc/35/73/87/555357387.db2.gz AFZHKYXVJZOBBU-XKEBTDTJSA-N 1 2 589.091 7.111 40 0 KKABLO CCCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000103312186 555358067 /nfs/dbraw/zinc/35/80/67/555358067.db2.gz NVJWCKGKRXFPBN-RFMPLWHVSA-N 1 2 589.091 7.111 40 0 KKABLO CCCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000103312186 555358070 /nfs/dbraw/zinc/35/80/70/555358070.db2.gz NVJWCKGKRXFPBN-RFMPLWHVSA-N 1 2 589.091 7.111 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103510590 555421867 /nfs/dbraw/zinc/42/18/67/555421867.db2.gz HWLZFNGKLIGLMZ-ZXYZSCNASA-N 1 2 544.582 5.674 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103510590 555421870 /nfs/dbraw/zinc/42/18/70/555421870.db2.gz HWLZFNGKLIGLMZ-ZXYZSCNASA-N 1 2 544.582 5.674 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519402 555424877 /nfs/dbraw/zinc/42/48/77/555424877.db2.gz OCLURVDADVZYNI-XWSGIVAFSA-N 1 2 570.645 5.994 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519402 555424878 /nfs/dbraw/zinc/42/48/78/555424878.db2.gz OCLURVDADVZYNI-XWSGIVAFSA-N 1 2 570.645 5.994 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)c(OC)c1 ZINC000103520588 555426208 /nfs/dbraw/zinc/42/62/08/555426208.db2.gz NHYKODDUGWTYEY-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)c(OC)c1 ZINC000103520588 555426210 /nfs/dbraw/zinc/42/62/10/555426210.db2.gz NHYKODDUGWTYEY-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c1 ZINC000103522252 555426798 /nfs/dbraw/zinc/42/67/98/555426798.db2.gz ZBKGLBHREMMWRQ-YCHSVXFSSA-N 1 2 605.488 6.439 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c1 ZINC000103522252 555426803 /nfs/dbraw/zinc/42/68/03/555426803.db2.gz ZBKGLBHREMMWRQ-YCHSVXFSSA-N 1 2 605.488 6.439 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c(OC)c1 ZINC000103525119 555427893 /nfs/dbraw/zinc/42/78/93/555427893.db2.gz YXXNPRGUKZSGPT-MIARMAKKSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c(OC)c1 ZINC000103525119 555427897 /nfs/dbraw/zinc/42/78/97/555427897.db2.gz YXXNPRGUKZSGPT-MIARMAKKSA-N 1 2 574.608 5.825 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103531624 555431931 /nfs/dbraw/zinc/43/19/31/555431931.db2.gz GTDNAVTVVQFCPM-PBNWVGGGSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103531624 555431934 /nfs/dbraw/zinc/43/19/34/555431934.db2.gz GTDNAVTVVQFCPM-PBNWVGGGSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103536551 555435890 /nfs/dbraw/zinc/43/58/90/555435890.db2.gz KTRQPGCQCLNHPI-ICLSSZMYSA-N 1 2 552.845 5.661 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103536551 555435892 /nfs/dbraw/zinc/43/58/92/555435892.db2.gz KTRQPGCQCLNHPI-ICLSSZMYSA-N 1 2 552.845 5.661 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000103536459 555435911 /nfs/dbraw/zinc/43/59/11/555435911.db2.gz HQINTFJHPQGABW-YCHSVXFSSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000103536459 555435912 /nfs/dbraw/zinc/43/59/12/555435912.db2.gz HQINTFJHPQGABW-YCHSVXFSSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103538254 555437116 /nfs/dbraw/zinc/43/71/16/555437116.db2.gz CMEIZLIFTLDCFX-GGVMLGSCSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103538254 555437120 /nfs/dbraw/zinc/43/71/20/555437120.db2.gz CMEIZLIFTLDCFX-GGVMLGSCSA-N 1 2 561.037 6.330 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103543643 555439731 /nfs/dbraw/zinc/43/97/31/555439731.db2.gz BDZOTNDYNXSUND-VZNYXHRGSA-N 1 2 561.037 6.188 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103543643 555439735 /nfs/dbraw/zinc/43/97/35/555439735.db2.gz BDZOTNDYNXSUND-VZNYXHRGSA-N 1 2 561.037 6.188 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccs3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288150 571361632 /nfs/dbraw/zinc/36/16/32/571361632.db2.gz UYDGXMBPUCJLHT-GGVMLGSCSA-N 1 2 560.675 6.519 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccs3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288150 571361633 /nfs/dbraw/zinc/36/16/33/571361633.db2.gz UYDGXMBPUCJLHT-GGVMLGSCSA-N 1 2 560.675 6.519 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288050 571361644 /nfs/dbraw/zinc/36/16/44/571361644.db2.gz BSKCIARFZJDADB-FBMCJCTKSA-N 1 2 614.698 6.474 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288050 571361645 /nfs/dbraw/zinc/36/16/45/571361645.db2.gz BSKCIARFZJDADB-FBMCJCTKSA-N 1 2 614.698 6.474 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1OC ZINC000103529022 571361762 /nfs/dbraw/zinc/36/17/62/571361762.db2.gz SUJODGZTLOJDDP-GGVMLGSCSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1OC ZINC000103529022 571361763 /nfs/dbraw/zinc/36/17/63/571361763.db2.gz SUJODGZTLOJDDP-GGVMLGSCSA-N 1 2 557.606 5.081 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104075952 571372304 /nfs/dbraw/zinc/37/23/04/571372304.db2.gz FZDYDBZLNGWCSE-JJHVGNOZSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104075952 571372305 /nfs/dbraw/zinc/37/23/05/571372305.db2.gz FZDYDBZLNGWCSE-JJHVGNOZSA-N 1 2 586.644 5.694 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)c(C)c1 ZINC000104329812 571379225 /nfs/dbraw/zinc/37/92/25/571379225.db2.gz FRPQRLYWZZIUKS-NTCAYCPXSA-N 1 2 554.094 7.757 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3n2)c(C)c1 ZINC000104329816 571379258 /nfs/dbraw/zinc/37/92/58/571379258.db2.gz IJJBDISTQWAODZ-UHFFFAOYSA-N 1 2 532.019 7.188 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 ZINC000105026053 571389855 /nfs/dbraw/zinc/38/98/55/571389855.db2.gz PMAPMLDISJYJOV-UHFFFAOYSA-N 1 2 543.096 6.509 40 0 KKABLO COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)c(F)c1F ZINC000105309550 571395606 /nfs/dbraw/zinc/39/56/06/571395606.db2.gz VELPJISNERIEKY-UHFFFAOYSA-N 1 2 601.453 6.007 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)cc3n2)c(C)c1 ZINC000105313925 571398142 /nfs/dbraw/zinc/39/81/42/571398142.db2.gz STDZIKWXUMDMJJ-UHFFFAOYSA-N 1 2 541.508 6.317 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)c(C)c1 ZINC000105314108 571398222 /nfs/dbraw/zinc/39/82/22/571398222.db2.gz LVVAJCAMIQHBPP-UHFFFAOYSA-N 1 2 573.122 6.924 40 0 KKABLO CCCCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000105313988 571398276 /nfs/dbraw/zinc/39/82/76/571398276.db2.gz UKCRZSUDTVTGQC-UHFFFAOYSA-N 1 2 544.725 6.189 40 0 KKABLO CCCCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)c1 ZINC000105313991 571398297 /nfs/dbraw/zinc/39/82/97/571398297.db2.gz LBDOFPOZLJNAJG-UHFFFAOYSA-N 1 2 544.725 6.189 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4c(Cl)c(C)c(Cl)c(C)c4Cl)cc3n2)cc1 ZINC000105320869 571402335 /nfs/dbraw/zinc/40/23/35/571402335.db2.gz QIXQIQPFDPKDPP-UHFFFAOYSA-N 1 2 560.913 7.170 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3n2)cc1 ZINC000105320842 571402392 /nfs/dbraw/zinc/40/23/92/571402392.db2.gz ZANLZSQCBJOVMM-UHFFFAOYSA-N 1 2 534.447 7.394 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3n2)c(C)c1 ZINC000105321003 571402453 /nfs/dbraw/zinc/40/24/53/571402453.db2.gz DPXKLBAPKOBEIG-UHFFFAOYSA-N 1 2 548.474 7.703 40 0 KKABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2Cl)c1 ZINC000110098679 571430596 /nfs/dbraw/zinc/43/05/96/571430596.db2.gz JOKWRIXSCVWFFV-UHFFFAOYSA-N 1 2 560.119 5.997 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1F)c1ccccc1F ZINC000113511687 571439564 /nfs/dbraw/zinc/43/95/64/571439564.db2.gz UTDUOAODLGKDHB-UHFFFAOYSA-N 1 2 547.627 5.313 40 0 KKABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CCC[NH+]1CCOCC1 ZINC000223201699 571444193 /nfs/dbraw/zinc/44/41/93/571444193.db2.gz SZHYHQTZJARWMJ-DNQXCXABSA-N 1 2 517.482 5.343 40 0 KKABLO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382720 571467433 /nfs/dbraw/zinc/46/74/33/571467433.db2.gz RCLCCSBHNWZHCK-CXNSMIOJSA-N 1 2 732.990 9.366 40 0 KKABLO CCOC(=O)CNC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382927 571467475 /nfs/dbraw/zinc/46/74/75/571467475.db2.gz XREVOHYOWSIEEX-VQJSHJPSSA-N 1 2 690.909 8.341 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@H]3c4ccccc4C=C[N@@H+]3[C@H](C(=O)c3ccc(Br)cc3)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000150487689 571516655 /nfs/dbraw/zinc/51/66/55/571516655.db2.gz OWJRQVYHNYBVOR-JJHVGNOZSA-N 1 2 665.540 6.457 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@H]3c4ccccc4C=C[N@H+]3[C@H](C(=O)c3ccc(Br)cc3)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000150487689 571516658 /nfs/dbraw/zinc/51/66/58/571516658.db2.gz OWJRQVYHNYBVOR-JJHVGNOZSA-N 1 2 665.540 6.457 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(I)ccc4Cl)cc3n2)c(C)c1 ZINC000161956740 571531699 /nfs/dbraw/zinc/53/16/99/571531699.db2.gz KAVUNWYLVWOHSU-UHFFFAOYSA-N 1 2 632.959 6.268 40 0 KKABLO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000195533819 571563728 /nfs/dbraw/zinc/56/37/28/571563728.db2.gz KCPZNGCZFMQZCF-YHZHOBPQSA-N 1 2 617.812 6.063 40 0 KKABLO O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000215998132 571591263 /nfs/dbraw/zinc/59/12/63/571591263.db2.gz MGZVBAMKQSTDQM-UHFFFAOYSA-N 1 2 546.092 5.688 40 0 KKABLO Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2)cc1 ZINC000224712892 571608565 /nfs/dbraw/zinc/60/85/65/571608565.db2.gz AUKGHJUPVQCNKH-ACHIHNKUSA-N 1 2 545.712 7.216 40 0 KKABLO CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)CC1 ZINC000224993984 571637378 /nfs/dbraw/zinc/63/73/78/571637378.db2.gz GBTBZBZNWKJFCU-IOWSJCHKSA-N 1 2 571.194 7.005 40 0 KKABLO CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)CC1 ZINC000224993917 571637382 /nfs/dbraw/zinc/63/73/82/571637382.db2.gz GBTBZBZNWKJFCU-CONSDPRKSA-N 1 2 571.194 7.005 40 0 KKABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1NC(C)=O ZINC000225324888 571680864 /nfs/dbraw/zinc/68/08/64/571680864.db2.gz GRXWFCQDUOJOQK-WUFINQPMSA-N 1 2 526.666 5.082 40 0 KKABLO Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000225651922 571999788 /nfs/dbraw/zinc/99/97/88/571999788.db2.gz LWSRAMQOOZEVNT-VMPREFPWSA-N 1 2 524.694 5.248 40 0 KKABLO Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000225652000 571999801 /nfs/dbraw/zinc/99/98/01/571999801.db2.gz LWSRAMQOOZEVNT-FQLXRVMXSA-N 1 2 524.694 5.248 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000225709633 572039600 /nfs/dbraw/zinc/03/96/00/572039600.db2.gz PFOYYTZUDGIJIH-ZWXJPIIXSA-N 1 2 560.727 6.093 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261361896 572103667 /nfs/dbraw/zinc/10/36/67/572103667.db2.gz BKSIEROLOMSRMZ-SANMLTNESA-O 1 2 521.707 5.853 40 0 KKABLO CC(C)(C)c1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc(C(C)(C)C)c1O ZINC000261362587 572104158 /nfs/dbraw/zinc/10/41/58/572104158.db2.gz LTOUORPRSBQJGA-MHZLTWQESA-O 1 2 527.714 6.702 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OCC)c1OC ZINC000261364578 572106828 /nfs/dbraw/zinc/10/68/28/572106828.db2.gz MINMLOVGNFWLEN-SANMLTNESA-O 1 2 509.652 5.130 40 0 KKABLO CCC(=O)Oc1c(OC)cc(Br)c(Br)c1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364763 572106832 /nfs/dbraw/zinc/10/68/32/572106832.db2.gz NNHOXJNBTKJPJM-QHCPKHFHSA-O 1 2 639.346 5.011 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2cccc(Br)c2)o1 ZINC000261365082 572107392 /nfs/dbraw/zinc/10/73/92/572107392.db2.gz PWORIKSCEUKAMM-DEOSSOPVSA-O 1 2 538.447 5.575 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000261365643 572108088 /nfs/dbraw/zinc/10/80/88/572108088.db2.gz UJQBONMSWSUUQW-PMERELPUSA-O 1 2 592.141 6.573 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OC)c1OCc1ccccc1 ZINC000261366017 572108661 /nfs/dbraw/zinc/10/86/61/572108661.db2.gz WYDAHQKKBVUAFD-LJAQVGFWSA-O 1 2 543.669 5.530 40 0 KKABLO O=C([O-])[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1)[NH2+]C1(CNC(=O)OCc2ccccc2)COC1 ZINC000306145909 572144977 /nfs/dbraw/zinc/14/49/77/572144977.db2.gz VLEAFHSCQBTLON-XIFFEERXSA-N 1 2 616.718 5.004 40 0 KKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccc(Br)cc3)nc(NC3CCCC3)[nH+]2)c1 ZINC000328979153 572147304 /nfs/dbraw/zinc/14/73/04/572147304.db2.gz GDEBBRZYECQXNM-UHFFFAOYSA-N 1 2 507.354 5.615 40 0 KKABLO OCCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329028568 572150194 /nfs/dbraw/zinc/15/01/94/572150194.db2.gz PVTASVCBSSFQJK-UHFFFAOYSA-N 1 2 504.456 5.036 40 0 KKABLO CCCCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000231430055 572186996 /nfs/dbraw/zinc/18/69/96/572186996.db2.gz YQDBBWMMMHTMRJ-UHFFFAOYSA-N 1 2 514.691 6.115 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cccc(OC)c2OCc2ccccc2)c(OC)cc1Cl ZINC000408555774 572243294 /nfs/dbraw/zinc/24/32/94/572243294.db2.gz IIBOAFSUKBNIGN-SANMLTNESA-N 1 2 562.026 5.117 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccccc2OCc2ccccc2)c(OC)cc1Cl ZINC000408557594 572245147 /nfs/dbraw/zinc/24/51/47/572245147.db2.gz PEFANWZRCRWJGP-AREMUKBSSA-N 1 2 532.000 5.108 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408564653 572250709 /nfs/dbraw/zinc/25/07/09/572250709.db2.gz ZTYYTFSPXSMJHU-VMPITWQZSA-N 1 2 558.531 5.355 40 0 KKABLO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408603741 572273699 /nfs/dbraw/zinc/27/36/99/572273699.db2.gz FSHKSMIYDHATFA-XNTDXEJSSA-N 1 2 581.738 5.562 40 0 KKABLO O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408618724 572280287 /nfs/dbraw/zinc/28/02/87/572280287.db2.gz FHQYRHPBGDNAAH-WEVVVXLNSA-N 1 2 558.531 5.042 40 0 KKABLO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408630451 572286147 /nfs/dbraw/zinc/28/61/47/572286147.db2.gz UUCCIQOQOBWTKI-JXMROGBWSA-N 1 2 544.504 5.046 40 0 KKABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)c5cccc(Cl)c5)C(C)(C)C4)CC3)sc2c1 ZINC000257203567 572306661 /nfs/dbraw/zinc/30/66/61/572306661.db2.gz AQRQUKWLOJKEBI-UHFFFAOYSA-N 1 2 577.172 5.242 40 0 KKABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC000257206322 572306831 /nfs/dbraw/zinc/30/68/31/572306831.db2.gz BCWAICXMZHJYRM-UHFFFAOYSA-N 1 2 527.731 5.217 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257215603 572307790 /nfs/dbraw/zinc/30/77/90/572307790.db2.gz CQVMDDPLDPAXNH-UHFFFAOYSA-N 1 2 570.756 5.157 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc(C(C)C)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257216123 572307906 /nfs/dbraw/zinc/30/79/06/572307906.db2.gz CTEKEEURIPKLRE-FIBWVYCGSA-N 1 2 541.758 5.027 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc(C(C)C)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257216123 572307907 /nfs/dbraw/zinc/30/79/07/572307907.db2.gz CTEKEEURIPKLRE-FIBWVYCGSA-N 1 2 541.758 5.027 40 0 KKABLO Cc1sc(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)Cc4ccccc4)C(C)(C)C3)CC2)nc1-c1ccc(F)cc1 ZINC000257241014 572310279 /nfs/dbraw/zinc/31/02/79/572310279.db2.gz HWHJPRRPRNVHCT-UHFFFAOYSA-N 1 2 570.756 5.293 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2ccc(F)cc2Cl)C1 ZINC000257261939 572312140 /nfs/dbraw/zinc/31/21/40/572312140.db2.gz LJJMMJRWKJMURS-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2ccc(F)cc2Cl)C1 ZINC000257261939 572312141 /nfs/dbraw/zinc/31/21/41/572312141.db2.gz LJJMMJRWKJMURS-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO Cc1cnc(Nc2cc(CC3CCN(C(=O)Cn4c5ccccc5[nH+]c4CC(C)C)CC3)nc(C)n2)s1 ZINC000257273176 572313297 /nfs/dbraw/zinc/31/32/97/572313297.db2.gz NFOBAQGAXJDNEH-UHFFFAOYSA-N 1 2 517.703 5.323 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ncc(Cc4ccccc4F)s3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257322188 572317984 /nfs/dbraw/zinc/31/79/84/572317984.db2.gz WEXZWVLDZGVEGO-UHFFFAOYSA-N 1 2 588.746 5.296 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000106098863 1069715456 /nfs/dbraw/zinc/71/54/56/1069715456.db2.gz HHXFUJSDCGISHF-DJLQPTFLSA-N 1 2 576.450 5.826 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000106098863 1069715462 /nfs/dbraw/zinc/71/54/62/1069715462.db2.gz HHXFUJSDCGISHF-DJLQPTFLSA-N 1 2 576.450 5.826 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101589917 1070930807 /nfs/dbraw/zinc/93/08/07/1070930807.db2.gz AFQLCWMWVKJBCF-GAACBODTSA-N 1 2 560.631 5.655 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101589917 1070930821 /nfs/dbraw/zinc/93/08/21/1070930821.db2.gz AFQLCWMWVKJBCF-GAACBODTSA-N 1 2 560.631 5.655 40 0 KKABLO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(Cc5ccccc5)CC4)cc3)cc2)cc1 ZINC000408923144 1071088194 /nfs/dbraw/zinc/08/81/94/1071088194.db2.gz ADGYXUTXSBFLPB-UHFFFAOYSA-N 1 2 570.715 5.066 40 0 KKABLO CC(C)c1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000408749887 1071680902 /nfs/dbraw/zinc/68/09/02/1071680902.db2.gz URKUPWAFWQKHCU-UHFFFAOYSA-N 1 2 587.771 5.790 40 0 KKABLO Cc1cccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)c1 ZINC000408749962 1071681610 /nfs/dbraw/zinc/68/16/10/1071681610.db2.gz VKXXKPFTPLKHPT-UHFFFAOYSA-N 1 2 516.692 5.537 40 0 KKABLO COc1cc([C@@H](CC(=O)NCCc2c[nH]c[nH+]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138745 1073180773 /nfs/dbraw/zinc/18/07/73/1073180773.db2.gz GACWHOBGUUKCQW-HFZDXXHNSA-N 1 2 649.741 5.209 40 0 KKABLO COc1cc([C@@H](CC(=O)NCCc2c[nH+]c[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138745 1073180779 /nfs/dbraw/zinc/18/07/79/1073180779.db2.gz GACWHOBGUUKCQW-HFZDXXHNSA-N 1 2 649.741 5.209 40 0 KKABLO CC(=O)N1CCN(c2ccc(Oc3cc(N4CCN(C(C)=O)CC4)ccc3C[C@@H]3CO[C@@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC001570003332 1073197835 /nfs/dbraw/zinc/19/78/35/1073197835.db2.gz YMSULVZZXKFFSL-MMEOBGCCSA-N 1 2 733.697 5.830 40 0 KKABLO COc1ccccc1[C@H]1N[C@H](c2ccccc2OC)C2C(=O)C1[C@@H](c1ccccc1OC)[NH2+][C@@H]2c1ccccc1OC ZINC000000852705 551549852 /nfs/dbraw/zinc/54/98/52/551549852.db2.gz ISMZWGPNPCOVDV-YRSICMOKSA-N 1 2 564.682 5.994 40 0 KKABLO CCc1cc([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccn3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298717 551637656 /nfs/dbraw/zinc/63/76/56/551637656.db2.gz SAYXWCIVKQNHQD-HHHXNRCGSA-N 1 2 500.643 6.009 40 0 KKABLO COc1ccc(-c2csc(NC(=O)CSc3[nH+]cnc4c3cnn4-c3ccccc3Cl)n2)cc1 ZINC000001346546 551647003 /nfs/dbraw/zinc/64/70/03/551647003.db2.gz XDWQPZJVLAROHI-UHFFFAOYSA-N 1 2 509.016 5.332 40 0 KKABLO COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccc(OC)c(OC)c3)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000001362167 551648235 /nfs/dbraw/zinc/64/82/35/551648235.db2.gz YRJMMWADZUNGHS-PMERELPUSA-N 1 2 582.705 5.130 40 0 KKABLO COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000001362167 551648239 /nfs/dbraw/zinc/64/82/39/551648239.db2.gz YRJMMWADZUNGHS-PMERELPUSA-N 1 2 582.705 5.130 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001374064 551653073 /nfs/dbraw/zinc/65/30/73/551653073.db2.gz ANNAHMRTQNYQKN-SANMLTNESA-N 1 2 516.646 5.479 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001374064 551653075 /nfs/dbraw/zinc/65/30/75/551653075.db2.gz ANNAHMRTQNYQKN-SANMLTNESA-N 1 2 516.646 5.479 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374717 551654625 /nfs/dbraw/zinc/65/46/25/551654625.db2.gz MOSDFRANALWARR-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374717 551654627 /nfs/dbraw/zinc/65/46/27/551654627.db2.gz MOSDFRANALWARR-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374939 551655639 /nfs/dbraw/zinc/65/56/39/551655639.db2.gz BDBXAWZBMURVED-DEOSSOPVSA-N 1 2 518.662 5.139 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374939 551655640 /nfs/dbraw/zinc/65/56/40/551655640.db2.gz BDBXAWZBMURVED-DEOSSOPVSA-N 1 2 518.662 5.139 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375036 551655977 /nfs/dbraw/zinc/65/59/77/551655977.db2.gz ZIXZDGCCBGTMOW-DEOSSOPVSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375036 551655978 /nfs/dbraw/zinc/65/59/78/551655978.db2.gz ZIXZDGCCBGTMOW-DEOSSOPVSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375100 551656339 /nfs/dbraw/zinc/65/63/39/551656339.db2.gz BYDPDRQCLPSAQT-HHHXNRCGSA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375100 551656340 /nfs/dbraw/zinc/65/63/40/551656340.db2.gz BYDPDRQCLPSAQT-HHHXNRCGSA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375267 551656475 /nfs/dbraw/zinc/65/64/75/551656475.db2.gz ZKYZSGIULXREIQ-MHZLTWQESA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375267 551656477 /nfs/dbraw/zinc/65/64/77/551656477.db2.gz ZKYZSGIULXREIQ-MHZLTWQESA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375441 551656984 /nfs/dbraw/zinc/65/69/84/551656984.db2.gz RWLVVOXVIQFUFD-MUUNZHRXSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375441 551656985 /nfs/dbraw/zinc/65/69/85/551656985.db2.gz RWLVVOXVIQFUFD-MUUNZHRXSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375571 551657268 /nfs/dbraw/zinc/65/72/68/551657268.db2.gz UPCMFEMWWXZHFL-HSZRJFAPSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375571 551657270 /nfs/dbraw/zinc/65/72/70/551657270.db2.gz UPCMFEMWWXZHFL-HSZRJFAPSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375588 551657281 /nfs/dbraw/zinc/65/72/81/551657281.db2.gz KJQQBINXXZSGTB-NDEPHWFRSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375588 551657284 /nfs/dbraw/zinc/65/72/84/551657284.db2.gz KJQQBINXXZSGTB-NDEPHWFRSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375570 551657289 /nfs/dbraw/zinc/65/72/89/551657289.db2.gz UPCMFEMWWXZHFL-QHCPKHFHSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375570 551657290 /nfs/dbraw/zinc/65/72/90/551657290.db2.gz UPCMFEMWWXZHFL-QHCPKHFHSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375592 551657472 /nfs/dbraw/zinc/65/74/72/551657472.db2.gz ZZSUBFXNOPJBRX-AREMUKBSSA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375592 551657475 /nfs/dbraw/zinc/65/74/75/551657475.db2.gz ZZSUBFXNOPJBRX-AREMUKBSSA-N 1 2 536.636 5.062 40 0 KKABLO CCOC(=O)Nc1ccc(SC[C@@H]2CO[C@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000003873398 552421342 /nfs/dbraw/zinc/42/13/42/552421342.db2.gz OGPIBXIQNMQSPY-MBSDFSHPSA-N 1 2 508.427 5.819 40 0 in-man KKABLO O=C(NCC[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1)Nc1cc(Cl)ccc1Cl ZINC000004723117 552473062 /nfs/dbraw/zinc/47/30/62/552473062.db2.gz TZSPUFPSKTVLRL-UHFFFAOYSA-N 1 2 505.233 5.271 40 0 KKABLO CC1(C)O[C@@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](c3c[nH]c4c3[nH+]cnc4N)[C@@H]2O1 ZINC000005733216 552508120 /nfs/dbraw/zinc/50/81/20/552508120.db2.gz GDNMIKWGAZAXPK-XHDJHXHHSA-N 1 2 548.643 5.509 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006014912 552518883 /nfs/dbraw/zinc/51/88/83/552518883.db2.gz PJDMHZVODGPPIW-MUUNZHRXSA-N 1 2 540.643 5.252 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006014912 552518884 /nfs/dbraw/zinc/51/88/84/552518884.db2.gz PJDMHZVODGPPIW-MUUNZHRXSA-N 1 2 540.643 5.252 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149591 552550945 /nfs/dbraw/zinc/55/09/45/552550945.db2.gz YWZUEMNGIGIHNL-LJAQVGFWSA-N 1 2 538.671 5.942 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149591 552550946 /nfs/dbraw/zinc/55/09/46/552550946.db2.gz YWZUEMNGIGIHNL-LJAQVGFWSA-N 1 2 538.671 5.942 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006196751 552568896 /nfs/dbraw/zinc/56/88/96/552568896.db2.gz AHRBIZDFHDMAQU-MHZLTWQESA-N 1 2 542.709 5.564 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006196751 552568898 /nfs/dbraw/zinc/56/88/98/552568898.db2.gz AHRBIZDFHDMAQU-MHZLTWQESA-N 1 2 542.709 5.564 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198300 552570229 /nfs/dbraw/zinc/57/02/29/552570229.db2.gz DQZAICNDCQOMEQ-GRKNLSHJSA-N 1 2 548.691 5.090 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198300 552570230 /nfs/dbraw/zinc/57/02/30/552570230.db2.gz DQZAICNDCQOMEQ-GRKNLSHJSA-N 1 2 548.691 5.090 40 0 KKABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282833 552577945 /nfs/dbraw/zinc/57/79/45/552577945.db2.gz XPILKGDZSBKDIB-NDEPHWFRSA-N 1 2 512.658 5.073 40 0 KKABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282898 552578145 /nfs/dbraw/zinc/57/81/45/552578145.db2.gz XPILKGDZSBKDIB-MUUNZHRXSA-N 1 2 512.658 5.073 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006300686 552580228 /nfs/dbraw/zinc/58/02/28/552580228.db2.gz XTPSBBBWAGPSEA-LJAQVGFWSA-N 1 2 510.686 5.681 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000006301144 552580401 /nfs/dbraw/zinc/58/04/01/552580401.db2.gz LJOWBTNCHARUQZ-GDLZYMKVSA-N 1 2 538.602 5.337 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000006301144 552580402 /nfs/dbraw/zinc/58/04/02/552580402.db2.gz LJOWBTNCHARUQZ-GDLZYMKVSA-N 1 2 538.602 5.337 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000006320933 552580773 /nfs/dbraw/zinc/58/07/73/552580773.db2.gz RQUOIZMVNGOAGY-LJAQVGFWSA-N 1 2 538.671 5.860 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000006320933 552580776 /nfs/dbraw/zinc/58/07/76/552580776.db2.gz RQUOIZMVNGOAGY-LJAQVGFWSA-N 1 2 538.671 5.860 40 0 KKABLO CC(C)(C)[C@@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000008442456 553043652 /nfs/dbraw/zinc/04/36/52/553043652.db2.gz FCSMPNCJPCLUFF-DGWZTRNLSA-N 1 2 521.069 5.358 40 0 KKABLO CCc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000008835492 553162195 /nfs/dbraw/zinc/16/21/95/553162195.db2.gz RPGPMXUNVPRSGW-UHFFFAOYSA-N 1 2 500.672 5.573 40 0 KKABLO CCOc1cc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc(OCC)c1OCC ZINC000009886555 553314390 /nfs/dbraw/zinc/31/43/90/553314390.db2.gz NDKZMUQDESPOKG-UHFFFAOYSA-N 1 2 531.657 6.024 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013494745 553460515 /nfs/dbraw/zinc/46/05/15/553460515.db2.gz HNYTZQWDIBBDDT-GDLZYMKVSA-N 1 2 522.653 5.310 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013494745 553460516 /nfs/dbraw/zinc/46/05/16/553460516.db2.gz HNYTZQWDIBBDDT-GDLZYMKVSA-N 1 2 522.653 5.310 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494847 553460631 /nfs/dbraw/zinc/46/06/31/553460631.db2.gz AOOYNZAEIWMBIH-MHZLTWQESA-N 1 2 500.647 5.490 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494847 553460632 /nfs/dbraw/zinc/46/06/32/553460632.db2.gz AOOYNZAEIWMBIH-MHZLTWQESA-N 1 2 500.647 5.490 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494843 553460679 /nfs/dbraw/zinc/46/06/79/553460679.db2.gz BLLYJLPRLBGNJE-SANMLTNESA-N 1 2 502.663 5.520 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494843 553460681 /nfs/dbraw/zinc/46/06/81/553460681.db2.gz BLLYJLPRLBGNJE-SANMLTNESA-N 1 2 502.663 5.520 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495033 553461004 /nfs/dbraw/zinc/46/10/04/553461004.db2.gz GBBAXSJKXCENEY-HHHXNRCGSA-N 1 2 528.607 5.611 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495033 553461006 /nfs/dbraw/zinc/46/10/06/553461006.db2.gz GBBAXSJKXCENEY-HHHXNRCGSA-N 1 2 528.607 5.611 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495024 553461166 /nfs/dbraw/zinc/46/11/66/553461166.db2.gz AGUXERPXXRYADK-AREMUKBSSA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495024 553461167 /nfs/dbraw/zinc/46/11/67/553461167.db2.gz AGUXERPXXRYADK-AREMUKBSSA-N 1 2 502.638 5.929 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495195 553461660 /nfs/dbraw/zinc/46/16/60/553461660.db2.gz FIVRAIDOSANTRC-NDEPHWFRSA-N 1 2 530.673 5.581 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495195 553461661 /nfs/dbraw/zinc/46/16/61/553461661.db2.gz FIVRAIDOSANTRC-NDEPHWFRSA-N 1 2 530.673 5.581 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495187 553461668 /nfs/dbraw/zinc/46/16/68/553461668.db2.gz SSLRNGZZTIOITD-SANMLTNESA-N 1 2 518.662 5.221 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495187 553461670 /nfs/dbraw/zinc/46/16/70/553461670.db2.gz SSLRNGZZTIOITD-SANMLTNESA-N 1 2 518.662 5.221 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495219 553461936 /nfs/dbraw/zinc/46/19/36/553461936.db2.gz HVOILQHWZDAFOE-XMMPIXPASA-N 1 2 514.630 5.210 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495219 553461938 /nfs/dbraw/zinc/46/19/38/553461938.db2.gz HVOILQHWZDAFOE-XMMPIXPASA-N 1 2 514.630 5.210 40 0 KKABLO Cc1cc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498965 553464981 /nfs/dbraw/zinc/46/49/81/553464981.db2.gz CVLFMLFTZHNTRU-VWLOTQADSA-N 1 2 502.644 5.234 40 0 KKABLO Cc1cc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498965 553464983 /nfs/dbraw/zinc/46/49/83/553464983.db2.gz CVLFMLFTZHNTRU-VWLOTQADSA-N 1 2 502.644 5.234 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499680 553465791 /nfs/dbraw/zinc/46/57/91/553465791.db2.gz IRFZNCKYVJXUDZ-DEOSSOPVSA-N 1 2 502.644 5.378 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499680 553465793 /nfs/dbraw/zinc/46/57/93/553465793.db2.gz IRFZNCKYVJXUDZ-DEOSSOPVSA-N 1 2 502.644 5.378 40 0 KKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500838 553466291 /nfs/dbraw/zinc/46/62/91/553466291.db2.gz JKJHMYJLKPCNNC-HSZRJFAPSA-N 1 2 520.609 5.071 40 0 KKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500838 553466294 /nfs/dbraw/zinc/46/62/94/553466294.db2.gz JKJHMYJLKPCNNC-HSZRJFAPSA-N 1 2 520.609 5.071 40 0 KKABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000013565001 553472660 /nfs/dbraw/zinc/47/26/60/553472660.db2.gz BNOUGVQUUOAVOK-UHFFFAOYSA-N 1 2 522.674 5.627 40 0 KKABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000013565001 553472663 /nfs/dbraw/zinc/47/26/63/553472663.db2.gz BNOUGVQUUOAVOK-UHFFFAOYSA-N 1 2 522.674 5.627 40 0 KKABLO O=C(NCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000016385456 553562038 /nfs/dbraw/zinc/56/20/38/553562038.db2.gz SKMYKVRXBXNKEX-UHFFFAOYSA-N 1 2 505.233 5.271 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2cc1C ZINC000019973238 553651761 /nfs/dbraw/zinc/65/17/61/553651761.db2.gz XWLLKMZQGGXSFJ-HHHXNRCGSA-N 1 2 526.710 5.782 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2cc1C ZINC000019973238 553651762 /nfs/dbraw/zinc/65/17/62/553651762.db2.gz XWLLKMZQGGXSFJ-HHHXNRCGSA-N 1 2 526.710 5.782 40 0 KKABLO C[NH+](C)C(n1cc2c(c1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2)n1cc2c(c1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 ZINC000082190478 553675804 /nfs/dbraw/zinc/67/58/04/553675804.db2.gz DFHWUWIOMAVDCH-UHFFFAOYSA-N 1 2 676.598 9.477 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020079494 553676621 /nfs/dbraw/zinc/67/66/21/553676621.db2.gz WHSRDHFODFIHPE-SSEXGKCCSA-N 1 2 534.708 6.111 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020079494 553676623 /nfs/dbraw/zinc/67/66/23/553676623.db2.gz WHSRDHFODFIHPE-SSEXGKCCSA-N 1 2 534.708 6.111 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020079491 553676664 /nfs/dbraw/zinc/67/66/64/553676664.db2.gz WHSRDHFODFIHPE-PMERELPUSA-N 1 2 534.708 6.111 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020079491 553676665 /nfs/dbraw/zinc/67/66/65/553676665.db2.gz WHSRDHFODFIHPE-PMERELPUSA-N 1 2 534.708 6.111 40 0 KKABLO CCOC(=O)[C@@H]([NH3+])Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 ZINC000094313243 553697197 /nfs/dbraw/zinc/69/71/97/553697197.db2.gz LSSGNEFHGVQOPA-AWEZNQCLSA-N 1 2 804.926 5.036 40 0 in-vitro KKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000030850243 553857745 /nfs/dbraw/zinc/85/77/45/553857745.db2.gz QPBSQAPGMUKNQV-MHZLTWQESA-N 1 2 503.027 5.230 40 0 KKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943187 553860671 /nfs/dbraw/zinc/86/06/71/553860671.db2.gz GOTUINSWICRYNR-IBGZPJMESA-N 1 2 501.841 6.729 40 0 KKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030943187 553860676 /nfs/dbraw/zinc/86/06/76/553860676.db2.gz GOTUINSWICRYNR-IBGZPJMESA-N 1 2 501.841 6.729 40 0 KKABLO O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000097983722 554011342 /nfs/dbraw/zinc/01/13/42/554011342.db2.gz YIMZNKQNICNZMK-HVSYGWDASA-N 1 2 533.461 7.464 40 0 KKABLO O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000097983722 554011344 /nfs/dbraw/zinc/01/13/44/554011344.db2.gz YIMZNKQNICNZMK-HVSYGWDASA-N 1 2 533.461 7.464 40 0 KKABLO Cc1nn2c(nc(C)c(Cc3ccccc3)c2N2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1-c1ccccc1 ZINC000098048086 554159530 /nfs/dbraw/zinc/15/95/30/554159530.db2.gz FRSBAMQIOINHQT-UHFFFAOYSA-N 1 2 556.541 7.233 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371748 554357299 /nfs/dbraw/zinc/35/72/99/554357299.db2.gz OLDYYMQMUZEJQF-GDLZYMKVSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371748 554357301 /nfs/dbraw/zinc/35/73/01/554357301.db2.gz OLDYYMQMUZEJQF-GDLZYMKVSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372575 554357969 /nfs/dbraw/zinc/35/79/69/554357969.db2.gz FXXLTDJPROGUDO-LJAQVGFWSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372575 554357974 /nfs/dbraw/zinc/35/79/74/554357974.db2.gz FXXLTDJPROGUDO-LJAQVGFWSA-N 1 2 536.680 5.536 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057594810 554358158 /nfs/dbraw/zinc/35/81/58/554358158.db2.gz XXAOLFXZKVCGIU-AREMUKBSSA-N 1 2 516.621 5.076 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057594810 554358163 /nfs/dbraw/zinc/35/81/63/554358163.db2.gz XXAOLFXZKVCGIU-AREMUKBSSA-N 1 2 516.621 5.076 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375040 554359113 /nfs/dbraw/zinc/35/91/13/554359113.db2.gz BPUDJBFEQYURBS-GDLZYMKVSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375040 554359114 /nfs/dbraw/zinc/35/91/14/554359114.db2.gz BPUDJBFEQYURBS-GDLZYMKVSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375099 554359176 /nfs/dbraw/zinc/35/91/76/554359176.db2.gz GMADJEVYGXEIOP-LJAQVGFWSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375099 554359179 /nfs/dbraw/zinc/35/91/79/554359179.db2.gz GMADJEVYGXEIOP-LJAQVGFWSA-N 1 2 536.680 5.536 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100375121 554359248 /nfs/dbraw/zinc/35/92/48/554359248.db2.gz DHUBJANSTVXKKY-LJAQVGFWSA-N 1 2 538.652 5.124 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100375121 554359249 /nfs/dbraw/zinc/35/92/49/554359249.db2.gz DHUBJANSTVXKKY-LJAQVGFWSA-N 1 2 538.652 5.124 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000100375307 554359560 /nfs/dbraw/zinc/35/95/60/554359560.db2.gz XCZZQQMWUQCQBK-SANMLTNESA-N 1 2 544.656 5.301 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000100375307 554359562 /nfs/dbraw/zinc/35/95/62/554359562.db2.gz XCZZQQMWUQCQBK-SANMLTNESA-N 1 2 544.656 5.301 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640815 554361030 /nfs/dbraw/zinc/36/10/30/554361030.db2.gz LUWDWCQYKNWBPC-LJAQVGFWSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640815 554361026 /nfs/dbraw/zinc/36/10/26/554361026.db2.gz LUWDWCQYKNWBPC-LJAQVGFWSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641567 554362680 /nfs/dbraw/zinc/36/26/80/554362680.db2.gz VLCVAYIGWGAFDN-LJAQVGFWSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641567 554362676 /nfs/dbraw/zinc/36/26/76/554362676.db2.gz VLCVAYIGWGAFDN-LJAQVGFWSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642030 554363146 /nfs/dbraw/zinc/36/31/46/554363146.db2.gz KNUQDSDFCQCNPV-HHHXNRCGSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642030 554363151 /nfs/dbraw/zinc/36/31/51/554363151.db2.gz KNUQDSDFCQCNPV-HHHXNRCGSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642100 554363480 /nfs/dbraw/zinc/36/34/80/554363480.db2.gz FPTMHRSQIVGALM-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642100 554363475 /nfs/dbraw/zinc/36/34/75/554363475.db2.gz FPTMHRSQIVGALM-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc([C@H]3C(=O)N(C)CC[N@@H+]3C)cc2)n1 ZINC000059185873 554384075 /nfs/dbraw/zinc/38/40/75/554384075.db2.gz CDOOFZZILLRUQH-LJAQVGFWSA-N 1 2 596.757 5.137 40 0 KKABLO Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc([C@H]3C(=O)N(C)CC[N@H+]3C)cc2)n1 ZINC000059185873 554384079 /nfs/dbraw/zinc/38/40/79/554384079.db2.gz CDOOFZZILLRUQH-LJAQVGFWSA-N 1 2 596.757 5.137 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3n2)c(C)c1 ZINC000059294205 554387514 /nfs/dbraw/zinc/38/75/14/554387514.db2.gz FOQSWUFDVMGODB-UHFFFAOYSA-N 1 2 527.713 6.977 40 0 KKABLO O=C(C[C@H](c1ccccc1)N1CC[NH+]([C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000059662472 554420714 /nfs/dbraw/zinc/42/07/14/554420714.db2.gz NDNNUORLJRSGFI-ROJLCIKYSA-N 1 2 571.548 7.939 40 0 KKABLO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000060016126 554486508 /nfs/dbraw/zinc/48/65/08/554486508.db2.gz LCRRGUKFOLPYAY-UHFFFAOYSA-N 1 2 548.974 5.056 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589826 554801976 /nfs/dbraw/zinc/80/19/76/554801976.db2.gz GVRBTXXOBMXJLS-SPOCJGCTSA-N 1 2 623.492 6.900 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589826 554801977 /nfs/dbraw/zinc/80/19/77/554801977.db2.gz GVRBTXXOBMXJLS-SPOCJGCTSA-N 1 2 623.492 6.900 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000102370348 554916314 /nfs/dbraw/zinc/91/63/14/554916314.db2.gz NWLVKPXMVABOBZ-RFMPLWHVSA-N 1 2 623.536 7.762 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000102370348 554916316 /nfs/dbraw/zinc/91/63/16/554916316.db2.gz NWLVKPXMVABOBZ-RFMPLWHVSA-N 1 2 623.536 7.762 40 0 KKABLO CCOC(=O)c1c2cc(N(c3cc[nH+]cc3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2oc1-c1ccccc1 ZINC000102625748 554987979 /nfs/dbraw/zinc/98/79/79/554987979.db2.gz WCMWTHXXCIEWCE-UHFFFAOYSA-N 1 2 554.668 7.496 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@@H]1[C@@]2(C(=O)Nc3ccc(Cl)cc32)[N@H+]2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102812245 555075263 /nfs/dbraw/zinc/07/52/63/555075263.db2.gz PNDSHIATOJKPKN-OEZPAIJMSA-N 1 2 562.851 5.117 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@@H]1[C@@]2(C(=O)Nc3ccc(Cl)cc32)[N@@H+]2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102812245 555075266 /nfs/dbraw/zinc/07/52/66/555075266.db2.gz PNDSHIATOJKPKN-OEZPAIJMSA-N 1 2 562.851 5.117 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@H]1[C@@]2(C(=O)Nc3ccc(Cl)cc32)[N@H+]2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102812248 555075289 /nfs/dbraw/zinc/07/52/89/555075289.db2.gz PNDSHIATOJKPKN-OHIQVNEGSA-N 1 2 562.851 5.117 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@H]1[C@@]2(C(=O)Nc3ccc(Cl)cc32)[N@@H+]2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102812248 555075292 /nfs/dbraw/zinc/07/52/92/555075292.db2.gz PNDSHIATOJKPKN-OHIQVNEGSA-N 1 2 562.851 5.117 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102868520 555097864 /nfs/dbraw/zinc/09/78/64/555097864.db2.gz RHUJKEVBYIBCED-CJRSTVEYSA-N 1 2 571.477 5.878 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102868520 555097866 /nfs/dbraw/zinc/09/78/66/555097866.db2.gz RHUJKEVBYIBCED-CJRSTVEYSA-N 1 2 571.477 5.878 40 0 KKABLO COC(=O)C1CC[NH+](CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@H]3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000102968500 555180990 /nfs/dbraw/zinc/18/09/90/555180990.db2.gz JIOMKYCHPCDJIQ-QPYIMVNWSA-N 1 2 540.491 6.001 40 0 KKABLO CCCOc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308889 555357311 /nfs/dbraw/zinc/35/73/11/555357311.db2.gz AFZHKYXVJZOBBU-LRXFEKEMSA-N 1 2 589.091 7.111 40 0 KKABLO CCCOc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308889 555357312 /nfs/dbraw/zinc/35/73/12/555357312.db2.gz AFZHKYXVJZOBBU-LRXFEKEMSA-N 1 2 589.091 7.111 40 0 KKABLO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103522441 555427313 /nfs/dbraw/zinc/42/73/13/555427313.db2.gz GLLHIFQTIAZWGQ-AVKZGCRPSA-N 1 2 566.872 5.970 40 0 KKABLO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103522441 555427316 /nfs/dbraw/zinc/42/73/16/555427316.db2.gz GLLHIFQTIAZWGQ-AVKZGCRPSA-N 1 2 566.872 5.970 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103523124 555427593 /nfs/dbraw/zinc/42/75/93/555427593.db2.gz DONVODVJWMZPAL-LRXFEKEMSA-N 1 2 570.645 6.076 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103523124 555427598 /nfs/dbraw/zinc/42/75/98/555427598.db2.gz DONVODVJWMZPAL-LRXFEKEMSA-N 1 2 570.645 6.076 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103525123 555427921 /nfs/dbraw/zinc/42/79/21/555427921.db2.gz YXXNPRGUKZSGPT-IZJWOVIGSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103525123 555427925 /nfs/dbraw/zinc/42/79/25/555427925.db2.gz YXXNPRGUKZSGPT-IZJWOVIGSA-N 1 2 574.608 5.825 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103531901 555432226 /nfs/dbraw/zinc/43/22/26/555432226.db2.gz UMMQGOHIGAQDJS-RWLYWVGSSA-N 1 2 584.672 6.464 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103531901 555432230 /nfs/dbraw/zinc/43/22/30/555432230.db2.gz UMMQGOHIGAQDJS-RWLYWVGSSA-N 1 2 584.672 6.464 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000103532632 555432900 /nfs/dbraw/zinc/43/29/00/555432900.db2.gz OREUHWJXLLJEAM-HATVSKDLSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000103532632 555432901 /nfs/dbraw/zinc/43/29/01/555432901.db2.gz OREUHWJXLLJEAM-HATVSKDLSA-N 1 2 586.644 5.694 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103533650 555434062 /nfs/dbraw/zinc/43/40/62/555434062.db2.gz MLDICEQIRNJFDZ-GYEXEWKGSA-N 1 2 575.064 6.720 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103533650 555434066 /nfs/dbraw/zinc/43/40/66/555434066.db2.gz MLDICEQIRNJFDZ-GYEXEWKGSA-N 1 2 575.064 6.720 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(F)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103534969 555435119 /nfs/dbraw/zinc/43/51/19/555435119.db2.gz VYLWJTHGALUMKA-IZJWOVIGSA-N 1 2 574.608 5.825 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(F)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103534969 555435121 /nfs/dbraw/zinc/43/51/21/555435121.db2.gz VYLWJTHGALUMKA-IZJWOVIGSA-N 1 2 574.608 5.825 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103535074 555435155 /nfs/dbraw/zinc/43/51/55/555435155.db2.gz AJXGNGZZVCYLQA-PBNWVGGGSA-N 1 2 583.446 7.114 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103535074 555435157 /nfs/dbraw/zinc/43/51/57/555435157.db2.gz AJXGNGZZVCYLQA-PBNWVGGGSA-N 1 2 583.446 7.114 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103536766 555436251 /nfs/dbraw/zinc/43/62/51/555436251.db2.gz MMXUILCWEYLKHK-XKEBTDTJSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103536766 555436253 /nfs/dbraw/zinc/43/62/53/555436253.db2.gz MMXUILCWEYLKHK-XKEBTDTJSA-N 1 2 586.644 5.694 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103543652 555439673 /nfs/dbraw/zinc/43/96/73/555439673.db2.gz BDZOTNDYNXSUND-MIPYOGIXSA-N 1 2 561.037 6.188 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103543652 555439678 /nfs/dbraw/zinc/43/96/78/555439678.db2.gz BDZOTNDYNXSUND-MIPYOGIXSA-N 1 2 561.037 6.188 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288005 571361444 /nfs/dbraw/zinc/36/14/44/571361444.db2.gz XOKGYGURRAUQBS-XKEBTDTJSA-N 1 2 589.091 7.111 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288005 571361446 /nfs/dbraw/zinc/36/14/46/571361446.db2.gz XOKGYGURRAUQBS-XKEBTDTJSA-N 1 2 589.091 7.111 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288012 571361466 /nfs/dbraw/zinc/36/14/66/571361466.db2.gz INUYKDTWZDTVGN-LRXFEKEMSA-N 1 2 572.636 6.596 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288012 571361467 /nfs/dbraw/zinc/36/14/67/571361467.db2.gz INUYKDTWZDTVGN-LRXFEKEMSA-N 1 2 572.636 6.596 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc(OC)c3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288102 571361584 /nfs/dbraw/zinc/36/15/84/571361584.db2.gz HEZOLSWARVYMRV-CYPQMOBWSA-N 1 2 584.672 6.466 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc(OC)c3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288102 571361585 /nfs/dbraw/zinc/36/15/85/571361585.db2.gz HEZOLSWARVYMRV-CYPQMOBWSA-N 1 2 584.672 6.466 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288000 571361596 /nfs/dbraw/zinc/36/15/96/571361596.db2.gz XOKGYGURRAUQBS-LRXFEKEMSA-N 1 2 589.091 7.111 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288000 571361597 /nfs/dbraw/zinc/36/15/97/571361597.db2.gz XOKGYGURRAUQBS-LRXFEKEMSA-N 1 2 589.091 7.111 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104199544 571376754 /nfs/dbraw/zinc/37/67/54/571376754.db2.gz HDRFRGPJLXUDNG-VZNYXHRGSA-N 1 2 544.582 5.674 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104199544 571376755 /nfs/dbraw/zinc/37/67/55/571376755.db2.gz HDRFRGPJLXUDNG-VZNYXHRGSA-N 1 2 544.582 5.674 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104199540 571376785 /nfs/dbraw/zinc/37/67/85/571376785.db2.gz HDRFRGPJLXUDNG-ZXYZSCNASA-N 1 2 544.582 5.674 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104199540 571376786 /nfs/dbraw/zinc/37/67/86/571376786.db2.gz HDRFRGPJLXUDNG-ZXYZSCNASA-N 1 2 544.582 5.674 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1 ZINC000105026059 571389835 /nfs/dbraw/zinc/38/98/35/571389835.db2.gz WAWQCWZOMVOXAM-UHFFFAOYSA-N 1 2 538.677 5.864 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(I)c4)cc3n2)cc1 ZINC000105026288 571389930 /nfs/dbraw/zinc/38/99/30/571389930.db2.gz PBXXHTAPOMEINY-UHFFFAOYSA-N 1 2 525.394 5.432 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000105313857 571398077 /nfs/dbraw/zinc/39/80/77/571398077.db2.gz CSPQLWMHRZFSID-UHFFFAOYSA-N 1 2 573.122 6.924 40 0 KKABLO CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1Cl ZINC000105313974 571398262 /nfs/dbraw/zinc/39/82/62/571398262.db2.gz MIIUMVOCKSNONN-UHFFFAOYSA-N 1 2 551.116 6.062 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3n2)c(C)c1 ZINC000105314186 571398307 /nfs/dbraw/zinc/39/83/07/571398307.db2.gz CVLRUZZWULBRSD-UHFFFAOYSA-N 1 2 544.769 6.303 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4I)cc3n2)c(C)c1 ZINC000105320937 571402302 /nfs/dbraw/zinc/40/23/02/571402302.db2.gz HVFVBIZKDZEMFK-UHFFFAOYSA-N 1 2 539.421 5.740 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3n2)c(C)c1 ZINC000105321009 571402425 /nfs/dbraw/zinc/40/24/25/571402425.db2.gz HHFORTYWEXURJS-UHFFFAOYSA-N 1 2 538.504 7.657 40 0 KKABLO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000105322610 571403112 /nfs/dbraw/zinc/40/31/12/571403112.db2.gz GVJZRPPPKUMJCL-UHFFFAOYSA-N 1 2 575.323 8.135 40 0 KKABLO Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(N4CC[NH+](Cc5ccccc5Cl)CC4)c(Cl)c3)o2)cc1C ZINC000108310159 571423108 /nfs/dbraw/zinc/42/31/08/571423108.db2.gz YFVHFHGOOKNVBJ-UHFFFAOYSA-N 1 2 593.580 7.319 40 0 KKABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2Cl)cc1 ZINC000109692047 571429861 /nfs/dbraw/zinc/42/98/61/571429861.db2.gz BNJRRUWJNKHXPM-UHFFFAOYSA-N 1 2 560.119 5.997 40 0 KKABLO CCOC(=O)[C@H](C)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382638 571467328 /nfs/dbraw/zinc/46/73/28/571467328.db2.gz QMRLLTMNQJHCEC-ZMEFLVBSSA-N 1 2 704.936 8.730 40 0 KKABLO O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382730 571467459 /nfs/dbraw/zinc/46/74/59/571467459.db2.gz BEHNBKWCWKCQRR-NNRGRWLXSA-N 1 2 793.045 10.396 40 0 KKABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224222268 571500269 /nfs/dbraw/zinc/50/02/69/571500269.db2.gz APGXRBHNEJJGIP-UHFFFAOYSA-N 1 2 536.628 5.628 40 0 KKABLO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000161926413 571531317 /nfs/dbraw/zinc/53/13/17/571531317.db2.gz ZDILWALKGKYPJQ-UHFFFAOYSA-N 1 2 634.416 8.009 40 0 KKABLO O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000161934675 571531616 /nfs/dbraw/zinc/53/16/16/571531616.db2.gz BGAGFZFLCCYXDF-JXMROGBWSA-N 1 2 660.454 8.409 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3n2)c(C)c1 ZINC000161957901 571531770 /nfs/dbraw/zinc/53/17/70/571531770.db2.gz XZENBXYUQAPEQQ-GXDHUFHOSA-N 1 2 633.605 7.977 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cccc(Cl)c1 ZINC000224492870 571559358 /nfs/dbraw/zinc/55/93/58/571559358.db2.gz QYBVBKIYKQMHNU-UHFFFAOYSA-N 1 2 509.002 5.004 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CSc1ccc(Cl)cc1 ZINC000224678288 571601631 /nfs/dbraw/zinc/60/16/31/571601631.db2.gz RKBQDQHYMBCVBK-UHFFFAOYSA-N 1 2 525.070 5.718 40 0 KKABLO Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224678881 571601778 /nfs/dbraw/zinc/60/17/78/571601778.db2.gz PLKKAQDQXOKFJZ-ROJLCIKYSA-N 1 2 545.712 7.216 40 0 KKABLO COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000224062417 571605020 /nfs/dbraw/zinc/60/50/20/571605020.db2.gz PLLKOHVTCJRYBT-WUFINQPMSA-N 1 2 548.112 5.794 40 0 KKABLO Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NC(=O)C(C)C ZINC000224100962 571610068 /nfs/dbraw/zinc/61/00/68/571610068.db2.gz LAZIQBOHJNEDBR-VMPREFPWSA-N 1 2 538.721 6.018 40 0 KKABLO O=C(c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224947805 571632826 /nfs/dbraw/zinc/63/28/26/571632826.db2.gz FOCWWABJQPRHPZ-RMKNXTFCSA-N 1 2 528.450 6.242 40 0 KKABLO CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)CC1 ZINC000224994023 571637355 /nfs/dbraw/zinc/63/73/55/571637355.db2.gz GBTBZBZNWKJFCU-FIRIVFDPSA-N 1 2 571.194 7.005 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)cc1 ZINC000225616757 571966908 /nfs/dbraw/zinc/96/69/08/571966908.db2.gz GSKRTGMPQDWHNK-NSOVKSMOSA-N 1 2 528.657 5.079 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(I)c(O)c(I)c1 ZINC000261362892 572104772 /nfs/dbraw/zinc/10/47/72/572104772.db2.gz NLRJLIFBBWZPMM-LJQANCHMSA-O 1 2 647.300 5.306 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC2CCCC2)cc1 ZINC000261361591 572103841 /nfs/dbraw/zinc/10/38/41/572103841.db2.gz ACYKWGIJZFYGNW-MHZLTWQESA-O 1 2 505.664 5.654 40 0 KKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000261363042 572104639 /nfs/dbraw/zinc/10/46/39/572104639.db2.gz FRTDTPCBFAGPSR-QHCPKHFHSA-O 1 2 524.420 5.185 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)ccc1OCc1ccccc1 ZINC000261363032 572104857 /nfs/dbraw/zinc/10/48/57/572104857.db2.gz OWHHYBDTJRLAKH-AREMUKBSSA-O 1 2 564.485 5.504 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261363172 572105059 /nfs/dbraw/zinc/10/50/59/572105059.db2.gz GFZSQYMETCUSRE-XMMPIXPASA-O 1 2 543.978 6.015 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261363170 572105123 /nfs/dbraw/zinc/10/51/23/572105123.db2.gz GFZSQYMETCUSRE-DEOSSOPVSA-O 1 2 543.978 6.015 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Cl)c1Cl ZINC000261363358 572105355 /nfs/dbraw/zinc/10/53/55/572105355.db2.gz GYGLWBCSLKVNCH-QHCPKHFHSA-O 1 2 504.463 6.029 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cc(OC)c(O)c(Br)c1Br ZINC000261364686 572106995 /nfs/dbraw/zinc/10/69/95/572106995.db2.gz MYBKAVAXSREOLU-QGZVFWFLSA-O 1 2 620.141 5.223 40 0 KKABLO O=c1[nH]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000261365047 572107152 /nfs/dbraw/zinc/10/71/52/572107152.db2.gz PPWZRIDWRGJOQT-DEOSSOPVSA-O 1 2 500.007 5.445 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(OC(C)=O)ccc2ccccc21 ZINC000261365052 572107250 /nfs/dbraw/zinc/10/72/50/572107250.db2.gz PQAHPIYOIZJKTR-MHZLTWQESA-O 1 2 515.615 5.021 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc(Cl)cc(OC)c1OC(=O)CC ZINC000261365868 572108567 /nfs/dbraw/zinc/10/85/67/572108567.db2.gz VYARSFUHFZMDFE-SANMLTNESA-O 1 2 558.080 5.310 40 0 KKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3cccc(Br)c3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000329055462 572150917 /nfs/dbraw/zinc/15/09/17/572150917.db2.gz VOOINQYXAXEOHT-UHFFFAOYSA-N 1 2 521.381 6.005 40 0 KKABLO CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)C3OC2[C@@H](c2ccc(CC)cc2)[NH2+][C@H]3c2ccc(CC)cc2)cc1 ZINC000230026532 572179493 /nfs/dbraw/zinc/17/94/93/572179493.db2.gz MZRKKWVWDVYUNW-KAAOULNTSA-N 1 2 544.783 8.161 40 0 KKABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408558267 572245646 /nfs/dbraw/zinc/24/56/46/572245646.db2.gz SNVRVZLBZFOJAN-VWLOTQADSA-N 1 2 501.974 5.100 40 0 KKABLO O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408574718 572259808 /nfs/dbraw/zinc/25/98/08/572259808.db2.gz KMDVBHAJTJZGKK-JXMROGBWSA-N 1 2 544.504 5.046 40 0 KKABLO O=C(c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408616260 572278642 /nfs/dbraw/zinc/27/86/42/572278642.db2.gz FMTSLQQVKCLTIW-SFQUDFHCSA-N 1 2 551.712 5.553 40 0 KKABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000408617267 572279472 /nfs/dbraw/zinc/27/94/72/572279472.db2.gz AJBFOFBHKPVTHK-RMKNXTFCSA-N 1 2 588.557 5.363 40 0 KKABLO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408624387 572283054 /nfs/dbraw/zinc/28/30/54/572283054.db2.gz TWDAQROFVLTKON-QPJJXVBHSA-N 1 2 602.982 5.151 40 0 KKABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2ccccc2Oc2cccc(Cl)c2)CCO1)N1CCOCC1 ZINC000257217127 572307912 /nfs/dbraw/zinc/30/79/12/572307912.db2.gz CXONPWIQZSOFOY-PMERELPUSA-N 1 2 571.501 5.685 40 0 KKABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2ccccc2Oc2cccc(Cl)c2)CCO1)N1CCOCC1 ZINC000257217127 572307913 /nfs/dbraw/zinc/30/79/13/572307913.db2.gz CXONPWIQZSOFOY-PMERELPUSA-N 1 2 571.501 5.685 40 0 KKABLO Cc1sc(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)c4cccc(Cl)c4)C(C)(C)C3)CC2)nc1-c1ccc(F)cc1 ZINC000257224693 572308623 /nfs/dbraw/zinc/30/86/23/572308623.db2.gz FCXIXWJPWSLGDV-UHFFFAOYSA-N 1 2 591.174 5.805 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257229928 572309124 /nfs/dbraw/zinc/30/91/24/572309124.db2.gz GAAJMOZCELITFG-UHFFFAOYSA-N 1 2 561.748 5.550 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2cc(Br)ccc2F)C1 ZINC000257234868 572309686 /nfs/dbraw/zinc/30/96/86/572309686.db2.gz GVKOCQCISDESOC-JWQCQUIFSA-N 1 2 547.852 5.626 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2cc(Br)ccc2F)C1 ZINC000257234868 572309688 /nfs/dbraw/zinc/30/96/88/572309688.db2.gz GVKOCQCISDESOC-JWQCQUIFSA-N 1 2 547.852 5.626 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccc(Oc3cccnc3)cc1)CC2 ZINC000257241687 572310351 /nfs/dbraw/zinc/31/03/51/572310351.db2.gz HZDCJFUMJUWXKO-UHFFFAOYSA-N 1 2 569.127 5.421 40 0 KKABLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)c2ccccc2)C3)nc1-c1ccc(F)cc1 ZINC000257295569 572315369 /nfs/dbraw/zinc/31/53/69/572315369.db2.gz QYXHZYFUBKIERU-UHFFFAOYSA-N 1 2 570.756 5.542 40 0 KKABLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)CC(C)C)C3)nc1-c1ccc(F)cc1 ZINC000257298065 572315621 /nfs/dbraw/zinc/31/56/21/572315621.db2.gz RJYQNRXHXBMLNH-UHFFFAOYSA-N 1 2 550.766 5.139 40 0 KKABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@@H]1Oc1ccc(F)cc1 ZINC000257302944 572316120 /nfs/dbraw/zinc/31/61/20/572316120.db2.gz SFBQDLIZQOVYHS-LMSSTIIKSA-N 1 2 506.643 5.886 40 0 KKABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@@H]1Oc1ccc(F)cc1 ZINC000257302944 572316121 /nfs/dbraw/zinc/31/61/21/572316121.db2.gz SFBQDLIZQOVYHS-LMSSTIIKSA-N 1 2 506.643 5.886 40 0 KKABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccc(OCc5ccccc5)cc4)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257303435 572316219 /nfs/dbraw/zinc/31/62/19/572316219.db2.gz SHFZKUSWEZSCSX-MGBGTMOVSA-N 1 2 639.818 5.680 40 0 KKABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccccc4C(F)(F)F)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257322856 572318225 /nfs/dbraw/zinc/31/82/25/572318225.db2.gz WHSQONGGHHJEHQ-RUZDIDTESA-N 1 2 601.691 5.119 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4cccc5ccccc54)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257333808 572319205 /nfs/dbraw/zinc/31/92/05/572319205.db2.gz YDDFQOAIGDWXOK-ZBWWXOROSA-N 1 2 583.754 5.254 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4cccc5ccccc54)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257333808 572319206 /nfs/dbraw/zinc/31/92/06/572319206.db2.gz YDDFQOAIGDWXOK-ZBWWXOROSA-N 1 2 583.754 5.254 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000225596301 1071311947 /nfs/dbraw/zinc/31/19/47/1071311947.db2.gz JZWBWRDDIYVTHR-VSGBNLITSA-N 1 2 528.657 5.079 40 0 KKABLO CN(c1ccc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000408713533 1071479495 /nfs/dbraw/zinc/47/94/95/1071479495.db2.gz BBKZPPZHPYOVQB-UHFFFAOYSA-N 1 2 599.753 6.413 40 0 KKABLO COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000408712093 1071490213 /nfs/dbraw/zinc/49/02/13/1071490213.db2.gz ZERZDUOJHAVQCT-UHFFFAOYSA-N 1 2 564.085 6.385 40 0 KKABLO Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)c(C)c1 ZINC000408750285 1071676671 /nfs/dbraw/zinc/67/66/71/1071676671.db2.gz ZGDRIMBGPBXSID-UHFFFAOYSA-N 1 2 573.744 5.284 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCc4ccccc4)sc3c2)CC1 ZINC000408749282 1071685652 /nfs/dbraw/zinc/68/56/52/1071685652.db2.gz NBZLEUIQMRPFOT-UHFFFAOYSA-N 1 2 502.665 5.229 40 0 KKABLO Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)cc1 ZINC000408749778 1071682330 /nfs/dbraw/zinc/68/23/30/1071682330.db2.gz UEHYHXPYCJGZOP-UHFFFAOYSA-N 1 2 544.702 5.220 40 0 KKABLO S=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000409334623 1072344931 /nfs/dbraw/zinc/34/49/31/1072344931.db2.gz LISYYAVKAQOGBM-UHFFFAOYSA-N 1 2 503.631 5.845 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccccc2OC)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000409332264 1072362500 /nfs/dbraw/zinc/36/25/00/1072362500.db2.gz CWXPVNDDWPFGRT-NRFANRHFSA-N 1 2 508.427 5.211 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccccc2OC)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000409332267 1072362553 /nfs/dbraw/zinc/36/25/53/1072362553.db2.gz CWXPVNDDWPFGRT-OAQYLSRUSA-N 1 2 508.427 5.211 40 0 KKABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2Cl)c1C ZINC000409411144 1072798889 /nfs/dbraw/zinc/79/88/89/1072798889.db2.gz DEHRSIRQXNYFNJ-UHFFFAOYSA-N 1 2 574.146 6.305 40 0 KKABLO COc1cc([C@@H](CC(=O)NC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138401 1073177604 /nfs/dbraw/zinc/17/76/04/1073177604.db2.gz KUANTSLKGZJSTR-SICUDWHYSA-N 1 2 788.891 6.210 40 0 KKABLO COc1cc([C@@H](CC(=O)NC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138401 1073177609 /nfs/dbraw/zinc/17/76/09/1073177609.db2.gz KUANTSLKGZJSTR-SICUDWHYSA-N 1 2 788.891 6.210 40 0 KKABLO COc1cc([C@H](CC(=O)NCCSCc2[nH]c[nH+]c2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139033 1073183327 /nfs/dbraw/zinc/18/33/27/1073183327.db2.gz BAMJJOTYYBSLNN-CUNXSJBXSA-N 1 2 709.862 6.209 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335481 551645377 /nfs/dbraw/zinc/64/53/77/551645377.db2.gz QMSFABHADTVFRB-SANMLTNESA-N 1 2 532.645 5.316 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335481 551645379 /nfs/dbraw/zinc/64/53/79/551645379.db2.gz QMSFABHADTVFRB-SANMLTNESA-N 1 2 532.645 5.316 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374177 551653052 /nfs/dbraw/zinc/65/30/52/551653052.db2.gz AOXBXUQBSLWZJF-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374177 551653053 /nfs/dbraw/zinc/65/30/53/551653053.db2.gz AOXBXUQBSLWZJF-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374722 551654597 /nfs/dbraw/zinc/65/45/97/551654597.db2.gz WIAGTDNGLYPDRS-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374722 551654598 /nfs/dbraw/zinc/65/45/98/551654598.db2.gz WIAGTDNGLYPDRS-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375230 551656535 /nfs/dbraw/zinc/65/65/35/551656535.db2.gz IHBOSGINEXRPKK-XMMPIXPASA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375230 551656537 /nfs/dbraw/zinc/65/65/37/551656537.db2.gz IHBOSGINEXRPKK-XMMPIXPASA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375266 551656589 /nfs/dbraw/zinc/65/65/89/551656589.db2.gz RGBPUJZLIQIJFG-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375266 551656591 /nfs/dbraw/zinc/65/65/91/551656591.db2.gz RGBPUJZLIQIJFG-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375183 551656599 /nfs/dbraw/zinc/65/65/99/551656599.db2.gz AQUYQCUQKQHGSJ-HHHXNRCGSA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375183 551656601 /nfs/dbraw/zinc/65/66/01/551656601.db2.gz AQUYQCUQKQHGSJ-HHHXNRCGSA-N 1 2 512.683 5.589 40 0 KKABLO CCOC(=O)C1CC[NH+]([C@@H](c2cc(CC)sc2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000002551859 552129216 /nfs/dbraw/zinc/12/92/16/552129216.db2.gz MRKOGXDDXAWCQE-RUZDIDTESA-N 1 2 511.087 6.581 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198070 552569722 /nfs/dbraw/zinc/56/97/22/552569722.db2.gz KQIWPTCVKBDAII-PMERELPUSA-N 1 2 536.655 5.309 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006197968 552569749 /nfs/dbraw/zinc/56/97/49/552569749.db2.gz RQAAAMSTSIJKDZ-YTTGMZPUSA-N 1 2 546.719 6.417 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006197968 552569752 /nfs/dbraw/zinc/56/97/52/552569752.db2.gz RQAAAMSTSIJKDZ-YTTGMZPUSA-N 1 2 546.719 6.417 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198358 552570178 /nfs/dbraw/zinc/57/01/78/552570178.db2.gz CCYBFINYXKWKQP-SSEXGKCCSA-N 1 2 518.665 5.169 40 0 KKABLO COc1cc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239517 552572922 /nfs/dbraw/zinc/57/29/22/552572922.db2.gz VVCMWOKGUUKZGJ-MUUNZHRXSA-N 1 2 544.631 5.055 40 0 KKABLO COc1cc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239517 552572923 /nfs/dbraw/zinc/57/29/23/552572923.db2.gz VVCMWOKGUUKZGJ-MUUNZHRXSA-N 1 2 544.631 5.055 40 0 KKABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006321382 552581265 /nfs/dbraw/zinc/58/12/65/552581265.db2.gz JZVFSBCUQAQLQY-WJOKGBTCSA-N 1 2 548.691 5.232 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006405753 552582455 /nfs/dbraw/zinc/58/24/55/552582455.db2.gz HUFWBBCCDBNVSB-SSEXGKCCSA-N 1 2 536.655 5.363 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000006442264 552584846 /nfs/dbraw/zinc/58/48/46/552584846.db2.gz KYAGTYHJRACPAQ-LJAQVGFWSA-N 1 2 510.686 5.681 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000006442400 552584851 /nfs/dbraw/zinc/58/48/51/552584851.db2.gz MNEZKAHKPCWRTO-PMERELPUSA-N 1 2 518.665 5.224 40 0 KKABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1ccccc1)OCO3 ZINC000006446413 552589114 /nfs/dbraw/zinc/58/91/14/552589114.db2.gz DVYGFTZRACQXLK-PMERELPUSA-N 1 2 548.647 5.193 40 0 KKABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1ccccc1)OCO3 ZINC000006446413 552589116 /nfs/dbraw/zinc/58/91/16/552589116.db2.gz DVYGFTZRACQXLK-PMERELPUSA-N 1 2 548.647 5.193 40 0 KKABLO CC(C)(C)[C@@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000008442454 553043727 /nfs/dbraw/zinc/04/37/27/553043727.db2.gz FCSMPNCJPCLUFF-MZKUHISZSA-N 1 2 521.069 5.358 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)cc1 ZINC000008900384 553181376 /nfs/dbraw/zinc/18/13/76/553181376.db2.gz SPGGCKXTZHARGE-UHFFFAOYSA-N 1 2 501.484 5.392 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494824 553460648 /nfs/dbraw/zinc/46/06/48/553460648.db2.gz VCVUQLDMEGJIPI-NDEPHWFRSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494824 553460650 /nfs/dbraw/zinc/46/06/50/553460650.db2.gz VCVUQLDMEGJIPI-NDEPHWFRSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495035 553461032 /nfs/dbraw/zinc/46/10/32/553461032.db2.gz GBBAXSJKXCENEY-MHZLTWQESA-N 1 2 528.607 5.611 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495035 553461034 /nfs/dbraw/zinc/46/10/34/553461034.db2.gz GBBAXSJKXCENEY-MHZLTWQESA-N 1 2 528.607 5.611 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495169 553461614 /nfs/dbraw/zinc/46/16/14/553461614.db2.gz HOVJQOWPLKVWAM-SANMLTNESA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495169 553461616 /nfs/dbraw/zinc/46/16/16/553461616.db2.gz HOVJQOWPLKVWAM-SANMLTNESA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495171 553461626 /nfs/dbraw/zinc/46/16/26/553461626.db2.gz VNDOQTBLZAOHOV-HHHXNRCGSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495171 553461627 /nfs/dbraw/zinc/46/16/27/553461627.db2.gz VNDOQTBLZAOHOV-HHHXNRCGSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495167 553461644 /nfs/dbraw/zinc/46/16/44/553461644.db2.gz HOVJQOWPLKVWAM-AREMUKBSSA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495167 553461645 /nfs/dbraw/zinc/46/16/45/553461645.db2.gz HOVJQOWPLKVWAM-AREMUKBSSA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495144 553461691 /nfs/dbraw/zinc/46/16/91/553461691.db2.gz MUTJQFZZDRQTRT-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495144 553461693 /nfs/dbraw/zinc/46/16/93/553461693.db2.gz MUTJQFZZDRQTRT-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495760 553462501 /nfs/dbraw/zinc/46/25/01/553462501.db2.gz WHQFQDMJVBDPSI-RUZDIDTESA-N 1 2 502.619 5.225 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495760 553462504 /nfs/dbraw/zinc/46/25/04/553462504.db2.gz WHQFQDMJVBDPSI-RUZDIDTESA-N 1 2 502.619 5.225 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500836 553466180 /nfs/dbraw/zinc/46/61/80/553466180.db2.gz XPXHKHDFFPDMFO-HHHXNRCGSA-N 1 2 530.604 5.237 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500836 553466183 /nfs/dbraw/zinc/46/61/83/553466183.db2.gz XPXHKHDFFPDMFO-HHHXNRCGSA-N 1 2 530.604 5.237 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500804 553466227 /nfs/dbraw/zinc/46/62/27/553466227.db2.gz AAVJGFOWNPQDCO-HHHXNRCGSA-N 1 2 512.614 5.098 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500804 553466228 /nfs/dbraw/zinc/46/62/28/553466228.db2.gz AAVJGFOWNPQDCO-HHHXNRCGSA-N 1 2 512.614 5.098 40 0 KKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCCC3)cc2c1 ZINC000013501248 553466480 /nfs/dbraw/zinc/46/64/80/553466480.db2.gz YXFUNIMQKRKEEW-UHFFFAOYSA-N 1 2 502.688 5.861 40 0 KKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCCC3)cc2c1 ZINC000013501248 553466481 /nfs/dbraw/zinc/46/64/81/553466481.db2.gz YXFUNIMQKRKEEW-UHFFFAOYSA-N 1 2 502.688 5.861 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019941551 553644997 /nfs/dbraw/zinc/64/49/97/553644997.db2.gz DTIPZHDAVZHBAE-PMERELPUSA-N 1 2 518.665 5.772 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019941551 553645000 /nfs/dbraw/zinc/64/50/00/553645000.db2.gz DTIPZHDAVZHBAE-PMERELPUSA-N 1 2 518.665 5.772 40 0 KKABLO Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2n1Cc1[nH+]ccc(OCC(F)(F)F)c1C ZINC000077303529 553662019 /nfs/dbraw/zinc/66/20/19/553662019.db2.gz GUWVDDXKNHBOLX-KDXMTYKHSA-N 1 2 572.531 5.681 40 0 in-vitro KKABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000020493505 553666332 /nfs/dbraw/zinc/66/63/32/553666332.db2.gz DTJYOTJCAZTJQF-UHFFFAOYSA-N 1 2 509.031 5.182 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020611051 553679315 /nfs/dbraw/zinc/67/93/15/553679315.db2.gz SCWVDJAYWGONLG-QGZVFWFLSA-N 1 2 512.441 6.288 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000020082644 553682099 /nfs/dbraw/zinc/68/20/99/553682099.db2.gz KRQYDVZNBCFCQI-MUUNZHRXSA-N 1 2 524.694 5.834 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000020082644 553682102 /nfs/dbraw/zinc/68/21/02/553682102.db2.gz KRQYDVZNBCFCQI-MUUNZHRXSA-N 1 2 524.694 5.834 40 0 KKABLO Cc1ccc([C@@H](CC(=O)c2ccccc2)N2CC[NH+]([C@H](CC(=O)c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000022584763 553747605 /nfs/dbraw/zinc/74/76/05/553747605.db2.gz WBOZSTZDMYHSEE-KKLWWLSJSA-N 1 2 530.712 7.249 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 ZINC000022831115 553754981 /nfs/dbraw/zinc/75/49/81/553754981.db2.gz WAENICOVBYEQSZ-UHFFFAOYSA-N 1 2 507.063 5.284 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 ZINC000022831104 553755027 /nfs/dbraw/zinc/75/50/27/553755027.db2.gz GKVOMFDJOAFLRU-UHFFFAOYSA-N 1 2 507.063 5.664 40 0 KKABLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000022840135 553758354 /nfs/dbraw/zinc/75/83/54/553758354.db2.gz DXLSOJRFDNEQDF-UHFFFAOYSA-N 1 2 515.629 6.861 40 0 KKABLO CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1Br ZINC000022846761 553760371 /nfs/dbraw/zinc/76/03/71/553760371.db2.gz CYAKVIWPNIWJTI-UHFFFAOYSA-N 1 2 522.447 5.989 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4Cl)CC3)cc2c1 ZINC000022869610 553764674 /nfs/dbraw/zinc/76/46/74/553764674.db2.gz ARDYTODMCKLUJH-NDEPHWFRSA-N 1 2 546.119 5.197 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000022869684 553764735 /nfs/dbraw/zinc/76/47/35/553764735.db2.gz VFPHXDNSXSVSJR-MUUNZHRXSA-N 1 2 546.119 5.197 40 0 KKABLO Cc1ccc(C(=O)C[C@H](c2ccccc2)N2CC[NH+]([C@H](CC(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000022942816 553768477 /nfs/dbraw/zinc/76/84/77/553768477.db2.gz CPTMPBSMUACENK-KKLWWLSJSA-N 1 2 530.712 7.249 40 0 KKABLO S=c1sc2c(ncnc2N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1-c1ccccc1 ZINC000033354380 553929496 /nfs/dbraw/zinc/92/94/96/553929496.db2.gz VTYTYJJJUDGUPF-XMMPIXPASA-N 1 2 530.122 6.776 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000034795865 554008871 /nfs/dbraw/zinc/00/88/71/554008871.db2.gz LKLZRYIWPSGWBV-FJJKMLSJSA-N 1 2 518.400 5.008 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000034795865 554008874 /nfs/dbraw/zinc/00/88/74/554008874.db2.gz LKLZRYIWPSGWBV-FJJKMLSJSA-N 1 2 518.400 5.008 40 0 KKABLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccccc2)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000097999597 554044392 /nfs/dbraw/zinc/04/43/92/554044392.db2.gz DNHREJPBNLHGJH-KCEIAVMRSA-N 1 2 597.821 10.193 40 0 KKABLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccccc2)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000097999597 554044395 /nfs/dbraw/zinc/04/43/95/554044395.db2.gz DNHREJPBNLHGJH-KCEIAVMRSA-N 1 2 597.821 10.193 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371367 554356857 /nfs/dbraw/zinc/35/68/57/554356857.db2.gz GFDCNTVRPJXXIE-LJAQVGFWSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371367 554356859 /nfs/dbraw/zinc/35/68/59/554356859.db2.gz GFDCNTVRPJXXIE-LJAQVGFWSA-N 1 2 540.643 5.481 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100375124 554359283 /nfs/dbraw/zinc/35/92/83/554359283.db2.gz DHUBJANSTVXKKY-GDLZYMKVSA-N 1 2 538.652 5.124 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100375124 554359286 /nfs/dbraw/zinc/35/92/86/554359286.db2.gz DHUBJANSTVXKKY-GDLZYMKVSA-N 1 2 538.652 5.124 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641565 554362185 /nfs/dbraw/zinc/36/21/85/554362185.db2.gz RUJQLNOVNIOCGM-GDLZYMKVSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641565 554362181 /nfs/dbraw/zinc/36/21/81/554362181.db2.gz RUJQLNOVNIOCGM-GDLZYMKVSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641807 554362527 /nfs/dbraw/zinc/36/25/27/554362527.db2.gz IAHYGRDGIMNLMU-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641807 554362525 /nfs/dbraw/zinc/36/25/25/554362525.db2.gz IAHYGRDGIMNLMU-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641583 554362686 /nfs/dbraw/zinc/36/26/86/554362686.db2.gz JVZMBXYLPBBNHU-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641583 554362689 /nfs/dbraw/zinc/36/26/89/554362689.db2.gz JVZMBXYLPBBNHU-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642001 554362983 /nfs/dbraw/zinc/36/29/83/554362983.db2.gz BFFPMEJBSVQRKM-RUZDIDTESA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642001 554362981 /nfs/dbraw/zinc/36/29/81/554362981.db2.gz BFFPMEJBSVQRKM-RUZDIDTESA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641952 554363059 /nfs/dbraw/zinc/36/30/59/554363059.db2.gz JMPXXDQLJOSCSG-GDLZYMKVSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641952 554363062 /nfs/dbraw/zinc/36/30/62/554363062.db2.gz JMPXXDQLJOSCSG-GDLZYMKVSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642218 554363452 /nfs/dbraw/zinc/36/34/52/554363452.db2.gz VTFMIINMBXUONK-MHZLTWQESA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642218 554363448 /nfs/dbraw/zinc/36/34/48/554363448.db2.gz VTFMIINMBXUONK-MHZLTWQESA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642392 554363505 /nfs/dbraw/zinc/36/35/05/554363505.db2.gz VIRSKBPYFPKLSG-MUUNZHRXSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642392 554363507 /nfs/dbraw/zinc/36/35/07/554363507.db2.gz VIRSKBPYFPKLSG-MUUNZHRXSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642111 554363632 /nfs/dbraw/zinc/36/36/32/554363632.db2.gz QTJGRIXTRDJULD-NDEPHWFRSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642111 554363627 /nfs/dbraw/zinc/36/36/27/554363627.db2.gz QTJGRIXTRDJULD-NDEPHWFRSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642161 554363722 /nfs/dbraw/zinc/36/37/22/554363722.db2.gz QXUWKQSEPVRKNG-VWLOTQADSA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642161 554363719 /nfs/dbraw/zinc/36/37/19/554363719.db2.gz QXUWKQSEPVRKNG-VWLOTQADSA-N 1 2 502.663 5.439 40 0 KKABLO COc1cc2cc(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383184 554364121 /nfs/dbraw/zinc/36/41/21/554364121.db2.gz ZEAHKYWJQFXIMQ-LJAQVGFWSA-N 1 2 574.682 5.165 40 0 KKABLO COc1cc2cc(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383184 554364123 /nfs/dbraw/zinc/36/41/23/554364123.db2.gz ZEAHKYWJQFXIMQ-LJAQVGFWSA-N 1 2 574.682 5.165 40 0 KKABLO CCCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)c1 ZINC000059331615 554389992 /nfs/dbraw/zinc/38/99/92/554389992.db2.gz YECHHWCIPBKJGP-UHFFFAOYSA-N 1 2 530.698 5.799 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3n2)c(C)c1 ZINC000059331873 554391954 /nfs/dbraw/zinc/39/19/54/554391954.db2.gz YHJHUGAVFUXWAA-UHFFFAOYSA-N 1 2 525.697 6.949 40 0 KKABLO CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000059924421 554475323 /nfs/dbraw/zinc/47/53/23/554475323.db2.gz NYDMRHDONVHBBC-UHFFFAOYSA-N 1 2 529.449 5.075 40 0 KKABLO CCOC(=O)c1oc2ccc(Cl)cc2c1C[NH+](Cc1c2cc(Cl)ccc2oc1C(=O)OCC)Cc1ccc(OC)cc1 ZINC000060044060 554497634 /nfs/dbraw/zinc/49/76/34/554497634.db2.gz OGCIELSGOJPUSV-UHFFFAOYSA-N 1 2 610.490 8.050 40 0 KKABLO O=C(CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)OCc1ccccc1 ZINC000100986668 554548659 /nfs/dbraw/zinc/54/86/59/554548659.db2.gz OYGBFGYZQKQGRJ-UHFFFAOYSA-N 1 2 530.447 6.686 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101589829 554801970 /nfs/dbraw/zinc/80/19/70/554801970.db2.gz GVRBTXXOBMXJLS-MIARMAKKSA-N 1 2 623.492 6.900 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101589829 554801971 /nfs/dbraw/zinc/80/19/71/554801971.db2.gz GVRBTXXOBMXJLS-MIARMAKKSA-N 1 2 623.492 6.900 40 0 KKABLO C[C@@H]1C[C@H](N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000101993979 554864375 /nfs/dbraw/zinc/86/43/75/554864375.db2.gz UJYZBSILMYELGV-RNAHPLFWSA-N 1 2 534.660 5.615 40 0 KKABLO Cc1ccc(N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)[C@@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000101994010 554864738 /nfs/dbraw/zinc/86/47/38/554864738.db2.gz NQGJPWNSWPMMFJ-WXGMZPBLSA-N 1 2 562.714 6.232 40 0 KKABLO O=C(C(C(=O)c1ccccc1)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]31[NH+]=2)c1ccccc1 ZINC000102416531 554925170 /nfs/dbraw/zinc/92/51/70/554925170.db2.gz WSCAEWNQAUQUOU-GJMXWISPSA-N 1 2 598.746 7.768 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000102550077 554961320 /nfs/dbraw/zinc/96/13/20/554961320.db2.gz UIOGEXJBGYNMDY-NEWJYFPISA-N 1 2 555.915 5.652 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000102550077 554961321 /nfs/dbraw/zinc/96/13/21/554961321.db2.gz UIOGEXJBGYNMDY-NEWJYFPISA-N 1 2 555.915 5.652 40 0 KKABLO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[P@](=O)(O[C@H]1C[C@H]3CC[C@]1(C)C3(C)C)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1)C2 ZINC000102676401 555004170 /nfs/dbraw/zinc/00/41/70/555004170.db2.gz BATYDYQRHLJKAS-VRVKEGDVSA-N 1 2 549.736 9.131 40 0 KKABLO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[P@@](=O)(O[C@H]1C[C@H]3CC[C@]1(C)C3(C)C)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1)C2 ZINC000102676401 555004173 /nfs/dbraw/zinc/00/41/73/555004173.db2.gz BATYDYQRHLJKAS-VRVKEGDVSA-N 1 2 549.736 9.131 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102896538 555136637 /nfs/dbraw/zinc/13/66/37/555136637.db2.gz GYCBCDBJLGBZEQ-CJRSTVEYSA-N 1 2 572.370 6.166 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102896538 555136638 /nfs/dbraw/zinc/13/66/38/555136638.db2.gz GYCBCDBJLGBZEQ-CJRSTVEYSA-N 1 2 572.370 6.166 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519410 555424971 /nfs/dbraw/zinc/42/49/71/555424971.db2.gz OCLURVDADVZYNI-RFMPLWHVSA-N 1 2 570.645 5.994 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519410 555424976 /nfs/dbraw/zinc/42/49/76/555424976.db2.gz OCLURVDADVZYNI-RFMPLWHVSA-N 1 2 570.645 5.994 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103522250 555426817 /nfs/dbraw/zinc/42/68/17/555426817.db2.gz ZBKGLBHREMMWRQ-GCZHVTBPSA-N 1 2 605.488 6.439 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103522250 555426821 /nfs/dbraw/zinc/42/68/21/555426821.db2.gz ZBKGLBHREMMWRQ-GCZHVTBPSA-N 1 2 605.488 6.439 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1F ZINC000103523050 555427218 /nfs/dbraw/zinc/42/72/18/555427218.db2.gz BJBLNPCNODJRDX-MIARMAKKSA-N 1 2 558.609 6.124 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1F ZINC000103523050 555427221 /nfs/dbraw/zinc/42/72/21/555427221.db2.gz BJBLNPCNODJRDX-MIARMAKKSA-N 1 2 558.609 6.124 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103522929 555427271 /nfs/dbraw/zinc/42/72/71/555427271.db2.gz DTXLLFCDICIPLB-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103522929 555427275 /nfs/dbraw/zinc/42/72/75/555427275.db2.gz DTXLLFCDICIPLB-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000103528432 555429335 /nfs/dbraw/zinc/42/93/35/555429335.db2.gz HSBCWTOZLIASCS-DZDVJMQSSA-N 1 2 599.901 7.629 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000103528432 555429337 /nfs/dbraw/zinc/42/93/37/555429337.db2.gz HSBCWTOZLIASCS-DZDVJMQSSA-N 1 2 599.901 7.629 40 0 KKABLO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000103528983 555429717 /nfs/dbraw/zinc/42/97/17/555429717.db2.gz CMQFWLSIKUZOSE-CXSMSNRLSA-N 1 2 534.399 5.156 40 0 KKABLO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000103528983 555429719 /nfs/dbraw/zinc/42/97/19/555429719.db2.gz CMQFWLSIKUZOSE-CXSMSNRLSA-N 1 2 534.399 5.156 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(OC(C)=O)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103530450 555430723 /nfs/dbraw/zinc/43/07/23/555430723.db2.gz UNTDOAXQRNACSU-AXXJGTDDSA-N 1 2 584.628 5.602 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(OC(C)=O)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103530450 555430725 /nfs/dbraw/zinc/43/07/25/555430725.db2.gz UNTDOAXQRNACSU-AXXJGTDDSA-N 1 2 584.628 5.602 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000103530284 555430743 /nfs/dbraw/zinc/43/07/43/555430743.db2.gz VLGFCPJTZUAQFW-NEWJYFPISA-N 1 2 537.925 5.513 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000103530284 555430745 /nfs/dbraw/zinc/43/07/45/555430745.db2.gz VLGFCPJTZUAQFW-NEWJYFPISA-N 1 2 537.925 5.513 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000103531039 555431135 /nfs/dbraw/zinc/43/11/35/555431135.db2.gz PMLQCFRCIHRQEF-GGVMLGSCSA-N 1 2 544.582 5.816 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000103531039 555431138 /nfs/dbraw/zinc/43/11/38/555431138.db2.gz PMLQCFRCIHRQEF-GGVMLGSCSA-N 1 2 544.582 5.816 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103531503 555431900 /nfs/dbraw/zinc/43/19/00/555431900.db2.gz PLWQDHYCKXVZKF-AXXJGTDDSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103531503 555431902 /nfs/dbraw/zinc/43/19/02/555431902.db2.gz PLWQDHYCKXVZKF-AXXJGTDDSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103532354 555432863 /nfs/dbraw/zinc/43/28/63/555432863.db2.gz HCFZZKMJKWNJNM-IZJWOVIGSA-N 1 2 556.618 5.686 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103532354 555432865 /nfs/dbraw/zinc/43/28/65/555432865.db2.gz HCFZZKMJKWNJNM-IZJWOVIGSA-N 1 2 556.618 5.686 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103534889 555434784 /nfs/dbraw/zinc/43/47/84/555434784.db2.gz QTWUYFYGPMEWTJ-ACZXLBTNSA-N 1 2 558.609 6.206 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103534889 555434786 /nfs/dbraw/zinc/43/47/86/555434786.db2.gz QTWUYFYGPMEWTJ-ACZXLBTNSA-N 1 2 558.609 6.206 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288028 571361431 /nfs/dbraw/zinc/36/14/31/571361431.db2.gz GCVAVYPQFCUTGS-CYPQMOBWSA-N 1 2 584.672 6.466 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288028 571361432 /nfs/dbraw/zinc/36/14/32/571361432.db2.gz GCVAVYPQFCUTGS-CYPQMOBWSA-N 1 2 584.672 6.466 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000103528261 571361794 /nfs/dbraw/zinc/36/17/94/571361794.db2.gz KOWNEUAZNSISRI-YUIGLEDNSA-N 1 2 584.672 6.464 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000103528261 571361795 /nfs/dbraw/zinc/36/17/95/571361795.db2.gz KOWNEUAZNSISRI-YUIGLEDNSA-N 1 2 584.672 6.464 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000104100924 571373821 /nfs/dbraw/zinc/37/38/21/571373821.db2.gz COWVBSTZYBBWJT-AXXJGTDDSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000104100924 571373823 /nfs/dbraw/zinc/37/38/23/571373823.db2.gz COWVBSTZYBBWJT-AXXJGTDDSA-N 1 2 586.644 5.694 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104185088 571376214 /nfs/dbraw/zinc/37/62/14/571376214.db2.gz WIHWLQRNPNFJCA-CJRSTVEYSA-N 1 2 537.925 5.513 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104185088 571376215 /nfs/dbraw/zinc/37/62/15/571376215.db2.gz WIHWLQRNPNFJCA-CJRSTVEYSA-N 1 2 537.925 5.513 40 0 KKABLO O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000104406763 571380903 /nfs/dbraw/zinc/38/09/03/571380903.db2.gz UNNHYZHGAJRTHH-UHFFFAOYSA-N 1 2 586.157 6.029 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000105026016 571389839 /nfs/dbraw/zinc/38/98/39/571389839.db2.gz DVHFBORMKBSZBV-UHFFFAOYSA-N 1 2 527.481 6.009 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000105223131 571392247 /nfs/dbraw/zinc/39/22/47/571392247.db2.gz HCSSMSYAIJTSKN-FBMGVBCBSA-N 1 2 550.688 6.362 40 0 KKABLO CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000105303313 571392798 /nfs/dbraw/zinc/39/27/98/571392798.db2.gz RZVPBPSLKXTGQI-UHFFFAOYSA-N 1 2 577.350 6.874 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc5ccccc5c(Br)c4OC)cc3n2)cc1 ZINC000105313903 571398079 /nfs/dbraw/zinc/39/80/79/571398079.db2.gz JMFBNZUBKXCKKW-UHFFFAOYSA-N 1 2 617.573 6.626 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)cc1 ZINC000105313906 571398113 /nfs/dbraw/zinc/39/81/13/571398113.db2.gz RMDBCWNFTFRJHX-UHFFFAOYSA-N 1 2 560.577 5.267 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc5ccccc5cc4OC)cc3n2)c(C)c1 ZINC000105314069 571398214 /nfs/dbraw/zinc/39/82/14/571398214.db2.gz WPFPZPKKJIQZFK-UHFFFAOYSA-N 1 2 552.704 6.172 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)c(C)c1 ZINC000105314080 571398246 /nfs/dbraw/zinc/39/82/46/571398246.db2.gz CYMSMSHIYIYIHO-UHFFFAOYSA-N 1 2 548.716 6.677 40 0 KKABLO CCOc1cc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc(OCC)c1OCC ZINC000105313956 571398270 /nfs/dbraw/zinc/39/82/70/571398270.db2.gz IEVUQYISULLJBX-UHFFFAOYSA-N 1 2 604.777 6.206 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4Br)cc3n2)c(C)c1 ZINC000105313932 571398284 /nfs/dbraw/zinc/39/82/84/571398284.db2.gz FUQZEZPJCKHLHQ-UHFFFAOYSA-N 1 2 551.514 5.773 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4OC)cc3n2)c(C)c1 ZINC000105320989 571402466 /nfs/dbraw/zinc/40/24/66/571402466.db2.gz OHKGOTJOYCILGX-DHZHZOJOSA-N 1 2 538.479 6.851 40 0 KKABLO COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000105322614 571403130 /nfs/dbraw/zinc/40/31/30/571403130.db2.gz JHUQDJNBGOVEHT-UHFFFAOYSA-N 1 2 599.356 7.492 40 0 KKABLO O=C1C[C@@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000105330985 571403316 /nfs/dbraw/zinc/40/33/16/571403316.db2.gz CTNXHLJJUBBZSG-XMMPIXPASA-N 1 2 530.402 5.311 40 0 KKABLO CSc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)C(C)C ZINC000223113289 571432717 /nfs/dbraw/zinc/43/27/17/571432717.db2.gz PJXZKZRNVJGNNN-UHFFFAOYSA-N 1 2 523.724 5.099 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1F)c1ccc(Cl)cc1 ZINC000113516058 571439726 /nfs/dbraw/zinc/43/97/26/571439726.db2.gz PIMFPDIOABNXMI-UHFFFAOYSA-N 1 2 564.082 5.827 40 0 KKABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1CCC[NH+]1CCOCC1 ZINC000223201955 571444232 /nfs/dbraw/zinc/44/42/32/571444232.db2.gz CTRSBFTXYVQDRO-DNQXCXABSA-N 1 2 517.482 5.343 40 0 KKABLO Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223203206 571444485 /nfs/dbraw/zinc/44/44/85/571444485.db2.gz VONXXYOPJPORCA-RPBOFIJWSA-N 1 2 541.515 5.107 40 0 KKABLO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922037 571446593 /nfs/dbraw/zinc/44/65/93/571446593.db2.gz AHKXIQGCXFDYPT-WUPLZFTBSA-N 1 2 527.834 7.662 40 0 KKABLO CCOC(=O)[C@H](C)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382636 571467333 /nfs/dbraw/zinc/46/73/33/571467333.db2.gz QMRLLTMNQJHCEC-OFGIETDASA-N 1 2 704.936 8.730 40 0 KKABLO COC(=O)C[C@H](NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC ZINC000150382728 571467494 /nfs/dbraw/zinc/46/74/94/571467494.db2.gz VPWTVPSLIDITOX-COCZKOEFSA-N 1 2 748.945 7.883 40 0 KKABLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000150383144 571467571 /nfs/dbraw/zinc/46/75/71/571467571.db2.gz LDHMHOFHMJMMKK-CZNDPXEESA-N 1 2 648.785 5.630 40 0 KKABLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000150383144 571467572 /nfs/dbraw/zinc/46/75/72/571467572.db2.gz LDHMHOFHMJMMKK-CZNDPXEESA-N 1 2 648.785 5.630 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224549805 571572248 /nfs/dbraw/zinc/57/22/48/571572248.db2.gz FFAPPTUPHAXHBZ-JXMROGBWSA-N 1 2 505.058 6.097 40 0 KKABLO COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2)cc1 ZINC000224747498 571613459 /nfs/dbraw/zinc/61/34/59/571613459.db2.gz FXUBMYMMAIWNBL-ACHIHNKUSA-N 1 2 561.711 6.916 40 0 KKABLO Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1Br ZINC000224935934 571631681 /nfs/dbraw/zinc/63/16/81/571631681.db2.gz QVNBVTJWHZIQJM-FTJBHMTQSA-N 1 2 532.511 6.186 40 0 KKABLO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NC(=O)C(C)(C)C ZINC000225108946 571648171 /nfs/dbraw/zinc/64/81/71/571648171.db2.gz BAGXXTBLDXFXNQ-FQLXRVMXSA-N 1 2 568.747 6.109 40 0 KKABLO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000225165247 571653760 /nfs/dbraw/zinc/65/37/60/571653760.db2.gz WOIZPSDVOBPVKT-FQLXRVMXSA-N 1 2 524.694 5.772 40 0 KKABLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000225249202 571662403 /nfs/dbraw/zinc/66/24/03/571662403.db2.gz VMBKKDHCDTXBBQ-WUFINQPMSA-N 1 2 561.111 5.354 40 0 KKABLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000225275963 571665505 /nfs/dbraw/zinc/66/55/05/571665505.db2.gz AWSVVYWLADYVMC-VMPREFPWSA-N 1 2 540.693 5.009 40 0 KKABLO Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000225651971 571999645 /nfs/dbraw/zinc/99/96/45/571999645.db2.gz LWSRAMQOOZEVNT-URLMMPGGSA-N 1 2 524.694 5.248 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(I)c(O)c(I)c1 ZINC000261362888 572104692 /nfs/dbraw/zinc/10/46/92/572104692.db2.gz NLRJLIFBBWZPMM-IBGZPJMESA-O 1 2 647.300 5.306 40 0 KKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2cccc(Br)c2)o1 ZINC000261361727 572103684 /nfs/dbraw/zinc/10/36/84/572103684.db2.gz AQAZWSDYXOWSHB-HSZRJFAPSA-O 1 2 524.420 5.185 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261362903 572104701 /nfs/dbraw/zinc/10/47/01/572104701.db2.gz NNJCNLFHRKZURM-RUZDIDTESA-O 1 2 507.680 5.463 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc2c(cc1Br)OCO2 ZINC000261362764 572104817 /nfs/dbraw/zinc/10/48/17/572104817.db2.gz FAVQPFXHNSNKBU-DEOSSOPVSA-O 1 2 558.478 5.214 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3)n[n+]2[C@H]1c1ccc(Br)s1 ZINC000261362675 572104876 /nfs/dbraw/zinc/10/48/76/572104876.db2.gz DRVRXKYXTMQQJB-QFIPXVFZSA-O 1 2 526.461 5.166 40 0 KKABLO O=c1[nH]c(SCc2ccc(Cl)cc2)n[n+]2c1-c1ccccc1N[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000261363424 572105038 /nfs/dbraw/zinc/10/50/38/572105038.db2.gz HDKCIOJYBOJKOZ-DEOSSOPVSA-O 1 2 500.007 5.445 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)ccc1OCc1ccccc1 ZINC000261363976 572106384 /nfs/dbraw/zinc/10/63/84/572106384.db2.gz IVOOABODXHVTOA-HHHXNRCGSA-O 1 2 534.061 5.785 40 0 KKABLO CCOc1cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)ccc1OC(C)=O ZINC000261364660 572106851 /nfs/dbraw/zinc/10/68/51/572106851.db2.gz MTRHUXRLWXCBGJ-MUUNZHRXSA-O 1 2 578.070 5.320 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261364409 572106928 /nfs/dbraw/zinc/10/69/28/572106928.db2.gz LHWQTIBPMIGMQI-HHHXNRCGSA-O 1 2 536.077 6.636 40 0 KKABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)c(Br)c(Br)c1O ZINC000261365701 572108391 /nfs/dbraw/zinc/10/83/91/572108391.db2.gz USOWZWSNSOLSHA-JOCHJYFZSA-O 1 2 603.316 5.641 40 0 KKABLO COc1ccc2ccccc2c1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]21 ZINC000261366313 572108967 /nfs/dbraw/zinc/10/89/67/572108967.db2.gz YTOOXAKCTZPFLU-GDLZYMKVSA-O 1 2 556.067 6.158 40 0 KKABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCCO)n1 ZINC000328981703 572147183 /nfs/dbraw/zinc/14/71/83/572147183.db2.gz GVLLCNLTRKAIDE-UHFFFAOYSA-N 1 2 502.415 5.787 40 0 KKABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329024319 572149698 /nfs/dbraw/zinc/14/96/98/572149698.db2.gz OZAUDHVZHHPHKV-HXUWFJFHSA-N 1 2 525.369 5.846 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cccc(OC)c2OCc2ccc(Cl)cc2)c(OC)cc1Cl ZINC000408554950 572242313 /nfs/dbraw/zinc/24/23/13/572242313.db2.gz GMBWQKBCBGGJSQ-SANMLTNESA-N 1 2 596.471 5.770 40 0 KKABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557465 572244914 /nfs/dbraw/zinc/24/49/14/572244914.db2.gz MXPYDGRJBFKICK-UHFFFAOYSA-N 1 2 576.118 5.697 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccccc2OCc2ccccc2)c(OC)cc1Cl ZINC000408557595 572245207 /nfs/dbraw/zinc/24/52/07/572245207.db2.gz PEFANWZRCRWJGP-SANMLTNESA-N 1 2 532.000 5.108 40 0 KKABLO COC(=O)c1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CC[N@H+](C)C2 ZINC000408607706 572275263 /nfs/dbraw/zinc/27/52/63/572275263.db2.gz NGNFQUMZHVHJBA-UHFFFAOYSA-N 1 2 605.738 5.179 40 0 KKABLO COC(=O)c1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408607706 572275264 /nfs/dbraw/zinc/27/52/64/572275264.db2.gz NGNFQUMZHVHJBA-UHFFFAOYSA-N 1 2 605.738 5.179 40 0 KKABLO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408620673 572281228 /nfs/dbraw/zinc/28/12/28/572281228.db2.gz QIYWLFHPQSMCIS-JXMROGBWSA-N 1 2 544.504 5.046 40 0 KKABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000408624256 572282989 /nfs/dbraw/zinc/28/29/89/572282989.db2.gz RYJGZRHDYVEITB-JXMROGBWSA-N 1 2 600.612 5.967 40 0 KKABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Br)cc1Cl ZINC000408664644 572310923 /nfs/dbraw/zinc/31/09/23/572310923.db2.gz CTJPGXRSUXRNHJ-UHFFFAOYSA-N 1 2 501.808 5.287 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257254137 572311449 /nfs/dbraw/zinc/31/14/49/572311449.db2.gz KBUOPJHAMSAHDB-UHFFFAOYSA-N 1 2 566.699 5.297 40 0 KKABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000408666318 572311983 /nfs/dbraw/zinc/31/19/83/572311983.db2.gz HHNMBUFQALJDQC-UHFFFAOYSA-N 1 2 501.808 5.287 40 0 KKABLO CCn1ccnc1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257310134 572316822 /nfs/dbraw/zinc/31/68/22/572316822.db2.gz UDUPCNZXXJSNJT-LJAQVGFWSA-N 1 2 509.094 5.575 40 0 KKABLO CCn1ccnc1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257310134 572316823 /nfs/dbraw/zinc/31/68/23/572316823.db2.gz UDUPCNZXXJSNJT-LJAQVGFWSA-N 1 2 509.094 5.575 40 0 KKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@@H]1Oc1ccccc1 ZINC000257318308 572317711 /nfs/dbraw/zinc/31/77/11/572317711.db2.gz VNITVPWYLMSRHR-CUBQBAPOSA-N 1 2 511.663 5.661 40 0 KKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@@H]1Oc1ccccc1 ZINC000257318308 572317713 /nfs/dbraw/zinc/31/77/13/572317713.db2.gz VNITVPWYLMSRHR-CUBQBAPOSA-N 1 2 511.663 5.661 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)c(F)c2)Cc2ccccc2Cl)C1 ZINC000257323772 572318218 /nfs/dbraw/zinc/31/82/18/572318218.db2.gz WLTXWOMEHFHWRS-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)c(F)c2)Cc2ccccc2Cl)C1 ZINC000257323772 572318219 /nfs/dbraw/zinc/31/82/19/572318219.db2.gz WLTXWOMEHFHWRS-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2ccc(Br)cc2F)C1 ZINC000257325925 572318354 /nfs/dbraw/zinc/31/83/54/572318354.db2.gz WVAVNDCOKOENMC-JWQCQUIFSA-N 1 2 547.852 5.626 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2ccc(Br)cc2F)C1 ZINC000257325925 572318355 /nfs/dbraw/zinc/31/83/55/572318355.db2.gz WVAVNDCOKOENMC-JWQCQUIFSA-N 1 2 547.852 5.626 40 0 KKABLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)c5cccc(Cl)c5)C(C)(C)C4)CC3)n2)cc1 ZINC000257328660 572318793 /nfs/dbraw/zinc/31/87/93/572318793.db2.gz XGPNSWGKEIIZHL-UHFFFAOYSA-N 1 2 573.184 5.666 40 0 KKABLO [NH2+]=C1N[C@H](SCc2ccccc2Cl)Nc2sc3c(c21)C[C@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000103516561 1069709766 /nfs/dbraw/zinc/70/97/66/1069709766.db2.gz YIZMOQUFUDSAFF-FAHANXHHSA-N 1 2 534.175 7.869 40 0 KKABLO CC(C)[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)NCCCn3cc[nH+]c3)ccc1O[C@@]2(C)CCc1ccccc1 ZINC000585263512 1070986397 /nfs/dbraw/zinc/98/63/97/1070986397.db2.gz DUADMGCGTCEHNH-UDEXGOHBSA-N 1 2 501.671 5.979 40 0 KKABLO Cc1cnc(Nc2cc(N3CCC(c4cccc(-c5noc(C(F)(F)F)n5)n4)CC3)[nH+]c(C)n2)s1 ZINC000585268066 1071015602 /nfs/dbraw/zinc/01/56/02/1071015602.db2.gz VFKGFBKWLOXHPQ-UHFFFAOYSA-N 1 2 502.526 5.141 40 0 KKABLO CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000585291997 1071041312 /nfs/dbraw/zinc/04/13/12/1071041312.db2.gz ICFLQAVXDSJSOH-HOMRVSDPSA-N 1 2 534.100 5.980 40 0 KKABLO Cc1[nH]c2ccc(NC(=O)COc3cccc([C@@H]4OC[C@@H](c5ccccc5Cl)C[C@H]4C(C)C)c3)cc2[nH+]1 ZINC000585295239 1071044592 /nfs/dbraw/zinc/04/45/92/1071044592.db2.gz RGABEZPUJIEBLW-YJHYVVDTSA-N 1 2 518.057 7.060 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000102370228 1071307403 /nfs/dbraw/zinc/30/74/03/1071307403.db2.gz LIMKTMNBTIRLMK-HDHDNLQWSA-N 1 2 612.682 6.381 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000102370228 1071307418 /nfs/dbraw/zinc/30/74/18/1071307418.db2.gz LIMKTMNBTIRLMK-HDHDNLQWSA-N 1 2 612.682 6.381 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccs3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370283 1071307462 /nfs/dbraw/zinc/30/74/62/1071307462.db2.gz JZSUNOCFUSEVEY-GGVMLGSCSA-N 1 2 560.675 6.517 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccs3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370283 1071307481 /nfs/dbraw/zinc/30/74/81/1071307481.db2.gz JZSUNOCFUSEVEY-GGVMLGSCSA-N 1 2 560.675 6.517 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103531774 1071308475 /nfs/dbraw/zinc/30/84/75/1071308475.db2.gz ATNJGEIPAHIXSH-LRXFEKEMSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103531774 1071308478 /nfs/dbraw/zinc/30/84/78/1071308478.db2.gz ATNJGEIPAHIXSH-LRXFEKEMSA-N 1 2 586.644 5.694 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000150510309 1071327892 /nfs/dbraw/zinc/32/78/92/1071327892.db2.gz PNUXIBNCEKCHLP-CRGGLILNSA-N 1 2 624.922 6.840 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000150510309 1071327909 /nfs/dbraw/zinc/32/79/09/1071327909.db2.gz PNUXIBNCEKCHLP-CRGGLILNSA-N 1 2 624.922 6.840 40 0 KKABLO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2N1C(=O)c1ccccc1 ZINC000408713559 1071480142 /nfs/dbraw/zinc/48/01/42/1071480142.db2.gz HZBSITYFKMZSJK-RUZDIDTESA-N 1 2 551.712 5.374 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2cc(C)cc(C)c2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408986428 1071490239 /nfs/dbraw/zinc/49/02/39/1071490239.db2.gz CGXYRPJWZCYOGS-QFIPXVFZSA-N 1 2 506.455 5.820 40 0 KKABLO COc1cc([C@@H](CC(=O)NC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138399 1073177625 /nfs/dbraw/zinc/17/76/25/1073177625.db2.gz KUANTSLKGZJSTR-NSQMQTOTSA-N 1 2 788.891 6.210 40 0 KKABLO COc1cc([C@@H](CC(=O)NC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138399 1073177627 /nfs/dbraw/zinc/17/76/27/1073177627.db2.gz KUANTSLKGZJSTR-NSQMQTOTSA-N 1 2 788.891 6.210 40 0 KKABLO COc1cc([C@H](CC(=O)NCC(C)(C)[NH+]2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138538 1073178537 /nfs/dbraw/zinc/17/85/37/1073178537.db2.gz CGEFZSVPQWPRNU-CUBQBAPOSA-N 1 2 696.838 5.354 40 0 KKABLO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC[NH+]3CCOCC3)c3nc(-c4ccccc4)cs3)cc12 ZINC000000882196 551556052 /nfs/dbraw/zinc/55/60/52/551556052.db2.gz RFRSHNDRXYHFGZ-UHFFFAOYSA-N 1 2 543.718 5.888 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335482 551645333 /nfs/dbraw/zinc/64/53/33/551645333.db2.gz QMSFABHADTVFRB-AREMUKBSSA-N 1 2 532.645 5.316 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335482 551645335 /nfs/dbraw/zinc/64/53/35/551645335.db2.gz QMSFABHADTVFRB-AREMUKBSSA-N 1 2 532.645 5.316 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001335597 551645503 /nfs/dbraw/zinc/64/55/03/551645503.db2.gz WAXAKIMUXZGAFP-MHZLTWQESA-N 1 2 556.642 5.263 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001335597 551645507 /nfs/dbraw/zinc/64/55/07/551645507.db2.gz WAXAKIMUXZGAFP-MHZLTWQESA-N 1 2 556.642 5.263 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001374065 551653096 /nfs/dbraw/zinc/65/30/96/551653096.db2.gz ANNAHMRTQNYQKN-AREMUKBSSA-N 1 2 516.646 5.479 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001374065 551653098 /nfs/dbraw/zinc/65/30/98/551653098.db2.gz ANNAHMRTQNYQKN-AREMUKBSSA-N 1 2 516.646 5.479 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374512 551654095 /nfs/dbraw/zinc/65/40/95/551654095.db2.gz UIMBPAVFLYJKMA-HHHXNRCGSA-N 1 2 530.579 5.003 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374512 551654097 /nfs/dbraw/zinc/65/40/97/551654097.db2.gz UIMBPAVFLYJKMA-HHHXNRCGSA-N 1 2 530.579 5.003 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375140 551656227 /nfs/dbraw/zinc/65/62/27/551656227.db2.gz RBWNAWJXCVXGPY-AREMUKBSSA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375140 551656228 /nfs/dbraw/zinc/65/62/28/551656228.db2.gz RBWNAWJXCVXGPY-AREMUKBSSA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375279 551656561 /nfs/dbraw/zinc/65/65/61/551656561.db2.gz KKOFBQROFRHZSW-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375279 551656563 /nfs/dbraw/zinc/65/65/63/551656563.db2.gz KKOFBQROFRHZSW-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375491 551657232 /nfs/dbraw/zinc/65/72/32/551657232.db2.gz IFSFVSQZIGYMAI-RUZDIDTESA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375491 551657234 /nfs/dbraw/zinc/65/72/34/551657234.db2.gz IFSFVSQZIGYMAI-RUZDIDTESA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375534 551657302 /nfs/dbraw/zinc/65/73/02/551657302.db2.gz NYEZDWJVQALFNP-AREMUKBSSA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375534 551657304 /nfs/dbraw/zinc/65/73/04/551657304.db2.gz NYEZDWJVQALFNP-AREMUKBSSA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375533 551657360 /nfs/dbraw/zinc/65/73/60/551657360.db2.gz NYEZDWJVQALFNP-SANMLTNESA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375533 551657362 /nfs/dbraw/zinc/65/73/62/551657362.db2.gz NYEZDWJVQALFNP-SANMLTNESA-N 1 2 512.683 5.589 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 ZINC000001857774 551716455 /nfs/dbraw/zinc/71/64/55/551716455.db2.gz PZASHCXGJCTDDR-KPKJPENVSA-N 1 2 524.452 6.542 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000002321614 552094439 /nfs/dbraw/zinc/09/44/39/552094439.db2.gz HDRFRGPJLXUDNG-MIPYOGIXSA-N 1 2 544.582 5.674 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000002321614 552094440 /nfs/dbraw/zinc/09/44/40/552094440.db2.gz HDRFRGPJLXUDNG-MIPYOGIXSA-N 1 2 544.582 5.674 40 0 KKABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000002412004 552113937 /nfs/dbraw/zinc/11/39/37/552113937.db2.gz QPIBBDVPANURMU-ZYQDXHPFSA-N 1 2 534.399 5.156 40 0 KKABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000002412004 552113940 /nfs/dbraw/zinc/11/39/40/552113940.db2.gz QPIBBDVPANURMU-ZYQDXHPFSA-N 1 2 534.399 5.156 40 0 KKABLO COc1cc(CCC2=[NH+]CCc3cc(OC)c(OCc4ccccc4)cc32)ccc1OCc1ccccc1 ZINC000003847471 552420519 /nfs/dbraw/zinc/42/05/19/552420519.db2.gz JSDCPCAXZQBJMJ-UHFFFAOYSA-N 1 2 507.630 6.840 40 0 KKABLO CCOC(=O)Nc1ccc(SC[C@H]2CO[C@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000003873399 552421406 /nfs/dbraw/zinc/42/14/06/552421406.db2.gz OGPIBXIQNMQSPY-JPYJTQIMSA-N 1 2 508.427 5.819 40 0 in-man KKABLO O=C(c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000004216779 552450048 /nfs/dbraw/zinc/45/00/48/552450048.db2.gz SYJKIRZBDWNJSB-UHFFFAOYSA-N 1 2 558.557 5.283 40 0 in-man KKABLO c1ccc(C2=CN(C3CCCCCCCCCCC3)[C@@](c3ccccc3)(C3CCCCCCCCCCC3)C=[NH+]2)cc1 ZINC000005202748 552494770 /nfs/dbraw/zinc/49/47/70/552494770.db2.gz XBSOEZUSRRCCFN-RRHRGVEJSA-N 1 2 566.918 11.861 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149045 552549664 /nfs/dbraw/zinc/54/96/64/552549664.db2.gz QCIRWSDSZMYWDT-MUUNZHRXSA-N 1 2 540.737 6.172 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149045 552549667 /nfs/dbraw/zinc/54/96/67/552549667.db2.gz QCIRWSDSZMYWDT-MUUNZHRXSA-N 1 2 540.737 6.172 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006196901 552569141 /nfs/dbraw/zinc/56/91/41/552569141.db2.gz AHRBIZDFHDMAQU-HHHXNRCGSA-N 1 2 542.709 5.564 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006196901 552569142 /nfs/dbraw/zinc/56/91/42/552569142.db2.gz AHRBIZDFHDMAQU-HHHXNRCGSA-N 1 2 542.709 5.564 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006196922 552569158 /nfs/dbraw/zinc/56/91/58/552569158.db2.gz BVJVFOJGOJFNII-MUUNZHRXSA-N 1 2 512.658 5.073 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198223 552569979 /nfs/dbraw/zinc/56/99/79/552569979.db2.gz RQAAAMSTSIJKDZ-JGCGQSQUSA-N 1 2 546.719 6.417 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198223 552569981 /nfs/dbraw/zinc/56/99/81/552569981.db2.gz RQAAAMSTSIJKDZ-JGCGQSQUSA-N 1 2 546.719 6.417 40 0 KKABLO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239474 552572680 /nfs/dbraw/zinc/57/26/80/552572680.db2.gz VVCMWOKGUUKZGJ-NDEPHWFRSA-N 1 2 544.631 5.055 40 0 KKABLO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239474 552572683 /nfs/dbraw/zinc/57/26/83/552572683.db2.gz VVCMWOKGUUKZGJ-NDEPHWFRSA-N 1 2 544.631 5.055 40 0 KKABLO COc1cc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239518 552572868 /nfs/dbraw/zinc/57/28/68/552572868.db2.gz UQYBROFADVCCQY-GDLZYMKVSA-N 1 2 542.684 5.081 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006301200 552580412 /nfs/dbraw/zinc/58/04/12/552580412.db2.gz KFSVAAWRHKGBMF-SSEXGKCCSA-N 1 2 518.665 5.224 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006408568 552582714 /nfs/dbraw/zinc/58/27/14/552582714.db2.gz FDHTXPWYCWWALW-PMERELPUSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006408568 552582716 /nfs/dbraw/zinc/58/27/16/552582716.db2.gz FDHTXPWYCWWALW-PMERELPUSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006408633 552582763 /nfs/dbraw/zinc/58/27/63/552582763.db2.gz APGQOKBTDHVNIR-LJAQVGFWSA-N 1 2 538.721 6.224 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006408633 552582765 /nfs/dbraw/zinc/58/27/65/552582765.db2.gz APGQOKBTDHVNIR-LJAQVGFWSA-N 1 2 538.721 6.224 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006409337 552583393 /nfs/dbraw/zinc/58/33/93/552583393.db2.gz IICHYTXKKSPLLE-SSEXGKCCSA-N 1 2 546.700 5.767 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006409337 552583395 /nfs/dbraw/zinc/58/33/95/552583395.db2.gz IICHYTXKKSPLLE-SSEXGKCCSA-N 1 2 546.700 5.767 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000006409808 552583654 /nfs/dbraw/zinc/58/36/54/552583654.db2.gz ZJQIMUOPCXUUNC-PMERELPUSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000006409808 552583657 /nfs/dbraw/zinc/58/36/57/552583657.db2.gz ZJQIMUOPCXUUNC-PMERELPUSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000006409940 552583749 /nfs/dbraw/zinc/58/37/49/552583749.db2.gz LANOAWMMTPFKKB-MUUNZHRXSA-N 1 2 541.099 6.066 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000006409940 552583750 /nfs/dbraw/zinc/58/37/50/552583750.db2.gz LANOAWMMTPFKKB-MUUNZHRXSA-N 1 2 541.099 6.066 40 0 KKABLO COc1cccc(C2=C(C(=O)Nc3cc(OC)c(Cl)cc3OC)[C@H](C)Nc3[nH+]c4ccccc4n32)c1 ZINC000008816186 553151796 /nfs/dbraw/zinc/15/17/96/553151796.db2.gz YLSAFXWKRZPXJM-HNNXBMFYSA-N 1 2 504.974 5.428 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494796 553460595 /nfs/dbraw/zinc/46/05/95/553460595.db2.gz FSPAEVLEJAMLBH-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494796 553460597 /nfs/dbraw/zinc/46/05/97/553460597.db2.gz FSPAEVLEJAMLBH-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494992 553461040 /nfs/dbraw/zinc/46/10/40/553461040.db2.gz KIXLIOOEVCSAGG-HHHXNRCGSA-N 1 2 514.580 5.303 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494992 553461042 /nfs/dbraw/zinc/46/10/42/553461042.db2.gz KIXLIOOEVCSAGG-HHHXNRCGSA-N 1 2 514.580 5.303 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494996 553461095 /nfs/dbraw/zinc/46/10/95/553461095.db2.gz OSRCAOFREUTMGR-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494996 553461097 /nfs/dbraw/zinc/46/10/97/553461097.db2.gz OSRCAOFREUTMGR-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495173 553461682 /nfs/dbraw/zinc/46/16/82/553461682.db2.gz VNDOQTBLZAOHOV-MHZLTWQESA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495173 553461683 /nfs/dbraw/zinc/46/16/83/553461683.db2.gz VNDOQTBLZAOHOV-MHZLTWQESA-N 1 2 514.674 5.799 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000013498829 553464959 /nfs/dbraw/zinc/46/49/59/553464959.db2.gz UHZLRJCQWACWQP-MHZLTWQESA-N 1 2 532.689 5.385 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000013498829 553464961 /nfs/dbraw/zinc/46/49/61/553464961.db2.gz UHZLRJCQWACWQP-MHZLTWQESA-N 1 2 532.689 5.385 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499391 553465596 /nfs/dbraw/zinc/46/55/96/553465596.db2.gz YGAMDIUOHYTTSB-RUZDIDTESA-N 1 2 532.620 5.084 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499391 553465598 /nfs/dbraw/zinc/46/55/98/553465598.db2.gz YGAMDIUOHYTTSB-RUZDIDTESA-N 1 2 532.620 5.084 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500837 553466248 /nfs/dbraw/zinc/46/62/48/553466248.db2.gz XPXHKHDFFPDMFO-MHZLTWQESA-N 1 2 530.604 5.237 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500837 553466250 /nfs/dbraw/zinc/46/62/50/553466250.db2.gz XPXHKHDFFPDMFO-MHZLTWQESA-N 1 2 530.604 5.237 40 0 KKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500839 553466281 /nfs/dbraw/zinc/46/62/81/553466281.db2.gz JKJHMYJLKPCNNC-QHCPKHFHSA-N 1 2 520.609 5.071 40 0 KKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500839 553466282 /nfs/dbraw/zinc/46/62/82/553466282.db2.gz JKJHMYJLKPCNNC-QHCPKHFHSA-N 1 2 520.609 5.071 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000013503396 553466934 /nfs/dbraw/zinc/46/69/34/553466934.db2.gz KKCBAPUXHXXGEM-HHHXNRCGSA-N 1 2 528.682 5.390 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000013503396 553466935 /nfs/dbraw/zinc/46/69/35/553466935.db2.gz KKCBAPUXHXXGEM-HHHXNRCGSA-N 1 2 528.682 5.390 40 0 KKABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000013564999 553472711 /nfs/dbraw/zinc/47/27/11/553472711.db2.gz XCUCKNTUHYXJBA-UHFFFAOYSA-N 1 2 522.674 5.627 40 0 KKABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000013564999 553472714 /nfs/dbraw/zinc/47/27/14/553472714.db2.gz XCUCKNTUHYXJBA-UHFFFAOYSA-N 1 2 522.674 5.627 40 0 KKABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1 ZINC000013564994 553472726 /nfs/dbraw/zinc/47/27/26/553472726.db2.gz WCOBMYBTNQTTIB-UHFFFAOYSA-N 1 2 512.610 5.149 40 0 KKABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1 ZINC000013564994 553472729 /nfs/dbraw/zinc/47/27/29/553472729.db2.gz WCOBMYBTNQTTIB-UHFFFAOYSA-N 1 2 512.610 5.149 40 0 KKABLO CCOC(=O)c1c2cc(OC(C)=O)ccc2n(-c2ccccc2)c1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000015319520 553531767 /nfs/dbraw/zinc/53/17/67/553531767.db2.gz IJGHDZJSXYQZPB-UHFFFAOYSA-N 1 2 511.622 5.363 40 0 KKABLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc[n+]([O-])c5)n4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000072132310 553643489 /nfs/dbraw/zinc/64/34/89/553643489.db2.gz OGMQYIIDZDUGEY-UHFFFAOYSA-N 1 2 545.525 5.594 40 0 in-vitro KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941392 553643904 /nfs/dbraw/zinc/64/39/04/553643904.db2.gz JETVKRZECUIWHS-PMERELPUSA-N 1 2 534.708 6.056 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941392 553643905 /nfs/dbraw/zinc/64/39/05/553643905.db2.gz JETVKRZECUIWHS-PMERELPUSA-N 1 2 534.708 6.056 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019941549 553645011 /nfs/dbraw/zinc/64/50/11/553645011.db2.gz MXYURMLHHMKIHR-GDLZYMKVSA-N 1 2 520.681 5.802 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019941549 553645016 /nfs/dbraw/zinc/64/50/16/553645016.db2.gz MXYURMLHHMKIHR-GDLZYMKVSA-N 1 2 520.681 5.802 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000019972892 553649944 /nfs/dbraw/zinc/64/99/44/553649944.db2.gz GCTMSGJLJJUYBH-NDEPHWFRSA-N 1 2 524.644 5.551 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000019972892 553649947 /nfs/dbraw/zinc/64/99/47/553649947.db2.gz GCTMSGJLJJUYBH-NDEPHWFRSA-N 1 2 524.644 5.551 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972980 553650264 /nfs/dbraw/zinc/65/02/64/553650264.db2.gz DFPOLBYEGJMAEI-HHHXNRCGSA-N 1 2 526.710 5.728 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972980 553650266 /nfs/dbraw/zinc/65/02/66/553650266.db2.gz DFPOLBYEGJMAEI-HHHXNRCGSA-N 1 2 526.710 5.728 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000019973025 553650502 /nfs/dbraw/zinc/65/05/02/553650502.db2.gz KQTTYNKVUJLTTJ-NDEPHWFRSA-N 1 2 524.644 5.551 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000019973025 553650504 /nfs/dbraw/zinc/65/05/04/553650504.db2.gz KQTTYNKVUJLTTJ-NDEPHWFRSA-N 1 2 524.644 5.551 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000019973024 553650584 /nfs/dbraw/zinc/65/05/84/553650584.db2.gz KQTTYNKVUJLTTJ-MUUNZHRXSA-N 1 2 524.644 5.551 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000019973024 553650588 /nfs/dbraw/zinc/65/05/88/553650588.db2.gz KQTTYNKVUJLTTJ-MUUNZHRXSA-N 1 2 524.644 5.551 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(Cl)cc4Cl)cc3n2)cc1 ZINC000020611053 553679459 /nfs/dbraw/zinc/67/94/59/553679459.db2.gz JHHQIJOIGCBNFF-UHFFFAOYSA-N 1 2 512.441 6.208 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000020082656 553682390 /nfs/dbraw/zinc/68/23/90/553682390.db2.gz HWFIWIXTNVFPCQ-SANMLTNESA-N 1 2 512.683 5.474 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000020082656 553682392 /nfs/dbraw/zinc/68/23/92/553682392.db2.gz HWFIWIXTNVFPCQ-SANMLTNESA-N 1 2 512.683 5.474 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000020082934 553682826 /nfs/dbraw/zinc/68/28/26/553682826.db2.gz JDUCZYMYAQKRHV-SANMLTNESA-N 1 2 512.683 5.474 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000020082934 553682828 /nfs/dbraw/zinc/68/28/28/553682828.db2.gz JDUCZYMYAQKRHV-SANMLTNESA-N 1 2 512.683 5.474 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Br)ccc4Cl)cc3n2)cc1 ZINC000022836989 553757418 /nfs/dbraw/zinc/75/74/18/553757418.db2.gz GNLSFORKDKKMKO-UHFFFAOYSA-N 1 2 512.839 6.243 40 0 KKABLO O=C(C[C@H](c1ccccc1)N1CC[NH+]([C@@H](CC(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000023468868 553786856 /nfs/dbraw/zinc/78/68/56/553786856.db2.gz KCDOUMKACNPCRR-MEKGRNQZSA-N 1 2 502.658 6.633 40 0 KKABLO O=C(C[C@H](c1ccccc1)[NH+]1CCN([C@@H](CC(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000023468868 553786857 /nfs/dbraw/zinc/78/68/57/553786857.db2.gz KCDOUMKACNPCRR-MEKGRNQZSA-N 1 2 502.658 6.633 40 0 KKABLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccccc2)P(=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000097999595 554044337 /nfs/dbraw/zinc/04/43/37/554044337.db2.gz DNHREJPBNLHGJH-RNGUSUMMSA-N 1 2 597.821 10.193 40 0 KKABLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccccc2)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000097999598 554044372 /nfs/dbraw/zinc/04/43/72/554044372.db2.gz DNHREJPBNLHGJH-HHAOLCRBSA-N 1 2 597.821 10.193 40 0 KKABLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccccc2)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000097999598 554044379 /nfs/dbraw/zinc/04/43/79/554044379.db2.gz DNHREJPBNLHGJH-HHAOLCRBSA-N 1 2 597.821 10.193 40 0 KKABLO CCc1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054350362 554349356 /nfs/dbraw/zinc/34/93/56/554349356.db2.gz DVJZDEPMAXAHOT-NDEPHWFRSA-N 1 2 516.110 7.128 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000100372221 554357278 /nfs/dbraw/zinc/35/72/78/554357278.db2.gz ZVUBOWWEPSUNKN-LJAQVGFWSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000100372221 554357281 /nfs/dbraw/zinc/35/72/81/554357281.db2.gz ZVUBOWWEPSUNKN-LJAQVGFWSA-N 1 2 536.680 5.536 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057594814 554358137 /nfs/dbraw/zinc/35/81/37/554358137.db2.gz XXAOLFXZKVCGIU-SANMLTNESA-N 1 2 516.621 5.076 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057594823 554358174 /nfs/dbraw/zinc/35/81/74/554358174.db2.gz KUAOAFIKEXJXPJ-HHHXNRCGSA-N 1 2 514.605 5.046 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057594814 554358142 /nfs/dbraw/zinc/35/81/42/554358142.db2.gz XXAOLFXZKVCGIU-SANMLTNESA-N 1 2 516.621 5.076 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057594823 554358170 /nfs/dbraw/zinc/35/81/70/554358170.db2.gz KUAOAFIKEXJXPJ-HHHXNRCGSA-N 1 2 514.605 5.046 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100374507 554358797 /nfs/dbraw/zinc/35/87/97/554358797.db2.gz OKSIFMDWTZXNGG-GDLZYMKVSA-N 1 2 540.643 5.563 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100374507 554358798 /nfs/dbraw/zinc/35/87/98/554358798.db2.gz OKSIFMDWTZXNGG-GDLZYMKVSA-N 1 2 540.643 5.563 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100374987 554359272 /nfs/dbraw/zinc/35/92/72/554359272.db2.gz UQRJVQGFYPBXRA-MUUNZHRXSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100374987 554359275 /nfs/dbraw/zinc/35/92/75/554359275.db2.gz UQRJVQGFYPBXRA-MUUNZHRXSA-N 1 2 538.652 5.042 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100374897 554359308 /nfs/dbraw/zinc/35/93/08/554359308.db2.gz VDAJCIAEJZAXQE-MUUNZHRXSA-N 1 2 544.606 5.393 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100374897 554359311 /nfs/dbraw/zinc/35/93/11/554359311.db2.gz VDAJCIAEJZAXQE-MUUNZHRXSA-N 1 2 544.606 5.393 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000057640638 554361101 /nfs/dbraw/zinc/36/11/01/554361101.db2.gz JSZAGIWHTJOGNZ-LJAQVGFWSA-N 1 2 522.653 5.287 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000057640638 554361103 /nfs/dbraw/zinc/36/11/03/554361103.db2.gz JSZAGIWHTJOGNZ-LJAQVGFWSA-N 1 2 522.653 5.287 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000057640691 554361125 /nfs/dbraw/zinc/36/11/25/554361125.db2.gz ZCKACXKQNNRHIY-SSEXGKCCSA-N 1 2 520.681 5.782 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640681 554361135 /nfs/dbraw/zinc/36/11/35/554361135.db2.gz CTTXAMLRMBMCOM-LJAQVGFWSA-N 1 2 506.654 5.587 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000057640691 554361127 /nfs/dbraw/zinc/36/11/27/554361127.db2.gz ZCKACXKQNNRHIY-SSEXGKCCSA-N 1 2 520.681 5.782 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640681 554361132 /nfs/dbraw/zinc/36/11/32/554361132.db2.gz CTTXAMLRMBMCOM-LJAQVGFWSA-N 1 2 506.654 5.587 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641268 554361756 /nfs/dbraw/zinc/36/17/56/554361756.db2.gz RJQBFHQDJVKZBP-VWLOTQADSA-N 1 2 532.620 5.084 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641268 554361758 /nfs/dbraw/zinc/36/17/58/554361758.db2.gz RJQBFHQDJVKZBP-VWLOTQADSA-N 1 2 532.620 5.084 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641289 554361832 /nfs/dbraw/zinc/36/18/32/554361832.db2.gz HKARTVZIFGNQFG-QHCPKHFHSA-N 1 2 520.659 5.006 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641289 554361834 /nfs/dbraw/zinc/36/18/34/554361834.db2.gz HKARTVZIFGNQFG-QHCPKHFHSA-N 1 2 520.659 5.006 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641666 554362494 /nfs/dbraw/zinc/36/24/94/554362494.db2.gz FOAPWRSULCHEKH-SANMLTNESA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641666 554362490 /nfs/dbraw/zinc/36/24/90/554362490.db2.gz FOAPWRSULCHEKH-SANMLTNESA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641742 554362560 /nfs/dbraw/zinc/36/25/60/554362560.db2.gz NWSNBPQTMLTVCD-NDEPHWFRSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641742 554362563 /nfs/dbraw/zinc/36/25/63/554362563.db2.gz NWSNBPQTMLTVCD-NDEPHWFRSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641577 554362587 /nfs/dbraw/zinc/36/25/87/554362587.db2.gz LALDCFOEEUIDBO-SSEXGKCCSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641577 554362589 /nfs/dbraw/zinc/36/25/89/554362589.db2.gz LALDCFOEEUIDBO-SSEXGKCCSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641704 554362666 /nfs/dbraw/zinc/36/26/66/554362666.db2.gz DMPVOISGRDVHDC-HHHXNRCGSA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641704 554362670 /nfs/dbraw/zinc/36/26/70/554362670.db2.gz DMPVOISGRDVHDC-HHHXNRCGSA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641571 554362754 /nfs/dbraw/zinc/36/27/54/554362754.db2.gz VLCVAYIGWGAFDN-GDLZYMKVSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641571 554362760 /nfs/dbraw/zinc/36/27/60/554362760.db2.gz VLCVAYIGWGAFDN-GDLZYMKVSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642408 554363928 /nfs/dbraw/zinc/36/39/28/554363928.db2.gz QKBRNGZUMJNBQG-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642408 554363932 /nfs/dbraw/zinc/36/39/32/554363932.db2.gz QKBRNGZUMJNBQG-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389345 554366149 /nfs/dbraw/zinc/36/61/49/554366149.db2.gz WJGGAMIITPKJHH-DEOSSOPVSA-N 1 2 558.639 5.021 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389345 554366152 /nfs/dbraw/zinc/36/61/52/554366152.db2.gz WJGGAMIITPKJHH-DEOSSOPVSA-N 1 2 558.639 5.021 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)cc4Cl)cc3n2)c(C)c1 ZINC000059331610 554389743 /nfs/dbraw/zinc/38/97/43/554389743.db2.gz AQAVKFYZPDLQIJ-UHFFFAOYSA-N 1 2 521.090 5.972 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5ccccc5c4)cc3n2)c(C)c1 ZINC000059331622 554390006 /nfs/dbraw/zinc/39/00/06/554390006.db2.gz LMGHHSIAWNMTKN-UHFFFAOYSA-N 1 2 522.678 6.164 40 0 KKABLO COc1ccc(Cn2nnnc2[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000100458111 554397224 /nfs/dbraw/zinc/39/72/24/554397224.db2.gz HTUXVYVPONJXKC-SSEXGKCCSA-N 1 2 557.620 6.583 40 0 KKABLO COc1ccc(Cn2nnnc2[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000100458111 554397225 /nfs/dbraw/zinc/39/72/25/554397225.db2.gz HTUXVYVPONJXKC-SSEXGKCCSA-N 1 2 557.620 6.583 40 0 KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000101064395 554571441 /nfs/dbraw/zinc/57/14/41/554571441.db2.gz ZUEMIEDFYRIAHR-NUVJPRFLSA-N 1 2 576.878 5.426 40 0 KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000101064395 554571443 /nfs/dbraw/zinc/57/14/43/554571443.db2.gz ZUEMIEDFYRIAHR-NUVJPRFLSA-N 1 2 576.878 5.426 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000102370382 554916105 /nfs/dbraw/zinc/91/61/05/554916105.db2.gz TWCBHMWSSWIGMU-XMFJDCMESA-N 1 2 589.091 7.109 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000102370382 554916108 /nfs/dbraw/zinc/91/61/08/554916108.db2.gz TWCBHMWSSWIGMU-XMFJDCMESA-N 1 2 589.091 7.109 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000102410449 554923347 /nfs/dbraw/zinc/92/33/47/554923347.db2.gz CSMVTMSJSPXXCQ-VJYSKFHYSA-N 1 2 553.768 9.623 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000102410449 554923349 /nfs/dbraw/zinc/92/33/49/554923349.db2.gz CSMVTMSJSPXXCQ-VJYSKFHYSA-N 1 2 553.768 9.623 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000102812250 555075301 /nfs/dbraw/zinc/07/53/01/555075301.db2.gz PNDSHIATOJKPKN-SSVAKIOMSA-N 1 2 562.851 5.117 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000102812250 555075302 /nfs/dbraw/zinc/07/53/02/555075302.db2.gz PNDSHIATOJKPKN-SSVAKIOMSA-N 1 2 562.851 5.117 40 0 KKABLO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C=Cc3ccccc3[C@@H]21 ZINC000102896486 555136657 /nfs/dbraw/zinc/13/66/57/555136657.db2.gz FMKKTXZITMUIJJ-NGSHPTGOSA-N 1 2 551.952 5.821 40 0 KKABLO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C=Cc3ccccc3[C@@H]21 ZINC000102896486 555136661 /nfs/dbraw/zinc/13/66/61/555136661.db2.gz FMKKTXZITMUIJJ-NGSHPTGOSA-N 1 2 551.952 5.821 40 0 KKABLO CCCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(c3ccccc3NC2=O)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103312202 555358087 /nfs/dbraw/zinc/35/80/87/555358087.db2.gz BDZPJTAIFCPYQM-IZJWOVIGSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(c3ccccc3NC2=O)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103312202 555358088 /nfs/dbraw/zinc/35/80/88/555358088.db2.gz BDZPJTAIFCPYQM-IZJWOVIGSA-N 1 2 555.634 5.852 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103510593 555421943 /nfs/dbraw/zinc/42/19/43/555421943.db2.gz HWLZFNGKLIGLMZ-VZNYXHRGSA-N 1 2 544.582 5.674 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103510593 555421947 /nfs/dbraw/zinc/42/19/47/555421947.db2.gz HWLZFNGKLIGLMZ-VZNYXHRGSA-N 1 2 544.582 5.674 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cc(OC)ccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103523243 555427492 /nfs/dbraw/zinc/42/74/92/555427492.db2.gz NLTDXXIXLCCPPL-AXXJGTDDSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cc(OC)ccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103523243 555427497 /nfs/dbraw/zinc/42/74/97/555427497.db2.gz NLTDXXIXLCCPPL-AXXJGTDDSA-N 1 2 586.644 5.694 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(OC)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103523128 555427612 /nfs/dbraw/zinc/42/76/12/555427612.db2.gz DONVODVJWMZPAL-XKEBTDTJSA-N 1 2 570.645 6.076 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(OC)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103523128 555427615 /nfs/dbraw/zinc/42/76/15/555427615.db2.gz DONVODVJWMZPAL-XKEBTDTJSA-N 1 2 570.645 6.076 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000103526203 555428380 /nfs/dbraw/zinc/42/83/80/555428380.db2.gz WUAODBBQPJEWPB-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000103526203 555428383 /nfs/dbraw/zinc/42/83/83/555428383.db2.gz WUAODBBQPJEWPB-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103528439 555429346 /nfs/dbraw/zinc/42/93/46/555429346.db2.gz HSBCWTOZLIASCS-PBNWVGGGSA-N 1 2 599.901 7.629 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103528439 555429348 /nfs/dbraw/zinc/42/93/48/555429348.db2.gz HSBCWTOZLIASCS-PBNWVGGGSA-N 1 2 599.901 7.629 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000103530599 555430715 /nfs/dbraw/zinc/43/07/15/555430715.db2.gz SJGOZCKXYPTXHE-SPOCJGCTSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000103530599 555430718 /nfs/dbraw/zinc/43/07/18/555430718.db2.gz SJGOZCKXYPTXHE-SPOCJGCTSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c(OC)c1 ZINC000103531510 555431844 /nfs/dbraw/zinc/43/18/44/555431844.db2.gz PLWQDHYCKXVZKF-RFMPLWHVSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c(OC)c1 ZINC000103531510 555431848 /nfs/dbraw/zinc/43/18/48/555431848.db2.gz PLWQDHYCKXVZKF-RFMPLWHVSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103531897 555432336 /nfs/dbraw/zinc/43/23/36/555432336.db2.gz UMMQGOHIGAQDJS-USLVXBFWSA-N 1 2 584.672 6.464 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103531897 555432338 /nfs/dbraw/zinc/43/23/38/555432338.db2.gz UMMQGOHIGAQDJS-USLVXBFWSA-N 1 2 584.672 6.464 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103532345 555432872 /nfs/dbraw/zinc/43/28/72/555432872.db2.gz HCFZZKMJKWNJNM-SPOCJGCTSA-N 1 2 556.618 5.686 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103532345 555432874 /nfs/dbraw/zinc/43/28/74/555432874.db2.gz HCFZZKMJKWNJNM-SPOCJGCTSA-N 1 2 556.618 5.686 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c1 ZINC000103532349 555432895 /nfs/dbraw/zinc/43/28/95/555432895.db2.gz HCFZZKMJKWNJNM-MIARMAKKSA-N 1 2 556.618 5.686 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c1 ZINC000103532349 555432897 /nfs/dbraw/zinc/43/28/97/555432897.db2.gz HCFZZKMJKWNJNM-MIARMAKKSA-N 1 2 556.618 5.686 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000103532812 555433248 /nfs/dbraw/zinc/43/32/48/555433248.db2.gz VUXCVIFVOBXIQC-FDOTVTPFSA-N 1 2 552.845 5.661 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000103532812 555433250 /nfs/dbraw/zinc/43/32/50/555433250.db2.gz VUXCVIFVOBXIQC-FDOTVTPFSA-N 1 2 552.845 5.661 40 0 KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000103533912 555433988 /nfs/dbraw/zinc/43/39/88/555433988.db2.gz OMPBQKVPXHDZAL-WGTZDZHJSA-N 1 2 566.872 5.970 40 0 KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000103533912 555433992 /nfs/dbraw/zinc/43/39/92/555433992.db2.gz OMPBQKVPXHDZAL-WGTZDZHJSA-N 1 2 566.872 5.970 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103535314 555435092 /nfs/dbraw/zinc/43/50/92/555435092.db2.gz ALXHJQCNRVTVDH-ACZXLBTNSA-N 1 2 609.509 7.374 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103535314 555435096 /nfs/dbraw/zinc/43/50/96/555435096.db2.gz ALXHJQCNRVTVDH-ACZXLBTNSA-N 1 2 609.509 7.374 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103543636 555439756 /nfs/dbraw/zinc/43/97/56/555439756.db2.gz BDZOTNDYNXSUND-ZXYZSCNASA-N 1 2 561.037 6.188 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103543636 555439760 /nfs/dbraw/zinc/43/97/60/555439760.db2.gz BDZOTNDYNXSUND-ZXYZSCNASA-N 1 2 561.037 6.188 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104063282 571372105 /nfs/dbraw/zinc/37/21/05/571372105.db2.gz SVSCQAOVTQLVFU-PSWJWLENSA-N 1 2 576.652 6.688 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104063282 571372106 /nfs/dbraw/zinc/37/21/06/571372106.db2.gz SVSCQAOVTQLVFU-PSWJWLENSA-N 1 2 576.652 6.688 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000104100934 571373898 /nfs/dbraw/zinc/37/38/98/571373898.db2.gz COWVBSTZYBBWJT-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000104100934 571373899 /nfs/dbraw/zinc/37/38/99/571373899.db2.gz COWVBSTZYBBWJT-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141701 571374728 /nfs/dbraw/zinc/37/47/28/571374728.db2.gz IPGGCZWBQGQORS-RRKUJKDYSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141701 571374729 /nfs/dbraw/zinc/37/47/29/571374729.db2.gz IPGGCZWBQGQORS-RRKUJKDYSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(O)=C2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141701 571374730 /nfs/dbraw/zinc/37/47/30/571374730.db2.gz IPGGCZWBQGQORS-RRKUJKDYSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(O)=C2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141701 571374731 /nfs/dbraw/zinc/37/47/31/571374731.db2.gz IPGGCZWBQGQORS-RRKUJKDYSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141697 571374743 /nfs/dbraw/zinc/37/47/43/571374743.db2.gz IPGGCZWBQGQORS-OVDCWBHGSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141697 571374744 /nfs/dbraw/zinc/37/47/44/571374744.db2.gz IPGGCZWBQGQORS-OVDCWBHGSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(O)=C2[C@@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141697 571374745 /nfs/dbraw/zinc/37/47/45/571374745.db2.gz IPGGCZWBQGQORS-OVDCWBHGSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(O)=C2[C@@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141697 571374746 /nfs/dbraw/zinc/37/47/46/571374746.db2.gz IPGGCZWBQGQORS-OVDCWBHGSA-N 1 2 566.654 5.426 40 0 KKABLO CCOc1cc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc(OCC)c1OCC ZINC000105025973 571389773 /nfs/dbraw/zinc/38/97/73/571389773.db2.gz MELMEVPQEJFQAK-UHFFFAOYSA-N 1 2 590.750 5.898 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 ZINC000105026045 571389782 /nfs/dbraw/zinc/38/97/82/571389782.db2.gz ZBKCQZATGSNHQZ-UHFFFAOYSA-N 1 2 527.481 6.009 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc5c(Br)cccc45)cc3n2)cc1 ZINC000105026049 571389812 /nfs/dbraw/zinc/38/98/12/571389812.db2.gz QSKGRUXBPDBHRO-UHFFFAOYSA-N 1 2 587.547 6.618 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5c(Br)cccc45)cc3n2)cc1 ZINC000105026310 571389981 /nfs/dbraw/zinc/38/99/81/571389981.db2.gz LGPWBWKYWMJYCH-UHFFFAOYSA-N 1 2 528.454 6.743 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)cc1 ZINC000105313844 571398130 /nfs/dbraw/zinc/39/81/30/571398130.db2.gz YOUIULUVDGFFRT-UHFFFAOYSA-N 1 2 559.095 6.615 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)c(C)c1 ZINC000105314076 571398242 /nfs/dbraw/zinc/39/82/42/571398242.db2.gz OYBPMLCRINBKHP-UHFFFAOYSA-N 1 2 562.743 6.529 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)c(C)c1 ZINC000105314113 571398264 /nfs/dbraw/zinc/39/82/64/571398264.db2.gz IUMJRBVQFKTJAJ-UHFFFAOYSA-N 1 2 573.122 6.924 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3n2)c(C)c1 ZINC000105314129 571398304 /nfs/dbraw/zinc/39/83/04/571398304.db2.gz IWGAYXNRJVAESO-UHFFFAOYSA-N 1 2 607.567 7.577 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3n2)c(C)c1 ZINC000105320986 571402489 /nfs/dbraw/zinc/40/24/89/571402489.db2.gz FCEOQVXPIQDGPK-GXDHUFHOSA-N 1 2 574.512 8.102 40 0 KKABLO Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)c1Cl ZINC000105322626 571403042 /nfs/dbraw/zinc/40/30/42/571403042.db2.gz DTAZZGQLUPDNLW-UHFFFAOYSA-N 1 2 601.789 7.910 40 0 KKABLO O=C1C[C@@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000105330962 571403349 /nfs/dbraw/zinc/40/33/49/571403349.db2.gz DGEQJVDUVOMLKT-XMMPIXPASA-N 1 2 529.509 5.023 40 0 KKABLO Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223171024 571440229 /nfs/dbraw/zinc/44/02/29/571440229.db2.gz XQJQSUBTUDXOBQ-RRPNLBNLSA-N 1 2 524.134 5.146 40 0 KKABLO CCOC(=O)CC[C@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC ZINC000150382593 571467295 /nfs/dbraw/zinc/46/72/95/571467295.db2.gz HXQMEXBMQABZTD-YWPUXERESA-N 1 2 791.026 9.053 40 0 KKABLO COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382717 571467351 /nfs/dbraw/zinc/46/73/51/571467351.db2.gz RCLCCSBHNWZHCK-JCGOJSMZSA-N 1 2 732.990 9.366 40 0 KKABLO CCOC(=O)CNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382929 571467412 /nfs/dbraw/zinc/46/74/12/571467412.db2.gz XREVOHYOWSIEEX-RWYGWLOXSA-N 1 2 690.909 8.341 40 0 KKABLO CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382871 571467431 /nfs/dbraw/zinc/46/74/31/571467431.db2.gz AUNVCPABFDBZRA-JYHRMSDVSA-N 1 2 797.033 9.658 40 0 KKABLO C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)C1 ZINC000224137871 571484219 /nfs/dbraw/zinc/48/42/19/571484219.db2.gz KESUTXMNAMQZNF-WVHIRFKFSA-N 1 2 585.221 7.251 40 0 KKABLO CC(C)c1nc(CN(C)C(=O)N[C@H](CC[NH+]2CCOCC2)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000164431794 571547695 /nfs/dbraw/zinc/54/76/95/571547695.db2.gz ZCIGNRJZKPOIKD-VLSLJKOQSA-N 1 2 776.042 6.001 40 0 KKABLO CC(C)c1nc(CN(C)C(=O)N[C@H](CC[NH+]2CCOCC2)C(=O)N[C@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000164432047 571547699 /nfs/dbraw/zinc/54/76/99/571547699.db2.gz ZCIGNRJZKPOIKD-RWTOGVPBSA-N 1 2 776.042 6.001 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1Cl ZINC000224482063 571556276 /nfs/dbraw/zinc/55/62/76/571556276.db2.gz WSWJGWHDKIGCPL-UHFFFAOYSA-N 1 2 509.002 5.004 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224504456 571562358 /nfs/dbraw/zinc/56/23/58/571562358.db2.gz WUEXZXSQRSGMSD-DQEYMECFSA-N 1 2 518.484 5.878 40 0 KKABLO CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)cc1 ZINC000224921961 571630221 /nfs/dbraw/zinc/63/02/21/571630221.db2.gz QHSVIFLRNCUZJW-UHFFFAOYSA-N 1 2 511.578 5.094 40 0 KKABLO Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1Br ZINC000224935979 571631649 /nfs/dbraw/zinc/63/16/49/571631649.db2.gz QVNBVTJWHZIQJM-IZZNHLLZSA-N 1 2 532.511 6.186 40 0 KKABLO Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1Br ZINC000224936012 571631668 /nfs/dbraw/zinc/63/16/68/571631668.db2.gz QVNBVTJWHZIQJM-CLJLJLNGSA-N 1 2 532.511 6.186 40 0 KKABLO O=c1sc2cc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000224981297 571635895 /nfs/dbraw/zinc/63/58/95/571635895.db2.gz LFONIQMZCFTEOY-UHFFFAOYSA-N 1 2 514.072 5.556 40 0 KKABLO CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000225137232 571650872 /nfs/dbraw/zinc/65/08/72/571650872.db2.gz VUPYKHVPJCANJK-VSGBNLITSA-N 1 2 559.139 6.363 40 0 KKABLO Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225575980 571935819 /nfs/dbraw/zinc/93/58/19/571935819.db2.gz BRMKDVPFVUHUCB-WDYNHAJCSA-N 1 2 524.694 5.248 40 0 KKABLO Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225691191 572026299 /nfs/dbraw/zinc/02/62/99/572026299.db2.gz SASMZNSWRQDDIU-URLMMPGGSA-N 1 2 524.694 5.248 40 0 KKABLO O=C1c2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)N1CCCn1cc[nH+]c1 ZINC000225701043 572032150 /nfs/dbraw/zinc/03/21/50/572032150.db2.gz WBTRUQGSTZSFSK-MUUNZHRXSA-N 1 2 570.466 6.332 40 0 in-vitro KKABLO CCN(c1ccc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000225854808 572077551 /nfs/dbraw/zinc/07/75/51/572077551.db2.gz WVKLHSMUPUBNAW-UHFFFAOYSA-N 1 2 609.817 6.972 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc(Cl)c(OC(=O)CC)c(OC)c1 ZINC000261361667 572103592 /nfs/dbraw/zinc/10/35/92/572103592.db2.gz AKXNLQPEJOVMCL-SANMLTNESA-O 1 2 558.080 5.310 40 0 KKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2cccc(Br)c2)o1 ZINC000261361729 572103798 /nfs/dbraw/zinc/10/37/98/572103798.db2.gz AQAZWSDYXOWSHB-QHCPKHFHSA-O 1 2 524.420 5.185 40 0 KKABLO CCCCOc1ccc2ccccc2c1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCCCC)n[n+]21 ZINC000261361710 572103803 /nfs/dbraw/zinc/10/38/03/572103803.db2.gz APCRRIKDISTUHH-LJAQVGFWSA-O 1 2 529.686 6.274 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261362794 572104716 /nfs/dbraw/zinc/10/47/16/572104716.db2.gz FDLCDJGJJBZWBV-HHHXNRCGSA-O 1 2 535.734 6.243 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261362795 572104833 /nfs/dbraw/zinc/10/48/33/572104833.db2.gz FDLCDJGJJBZWBV-MHZLTWQESA-O 1 2 535.734 6.243 40 0 KKABLO O=c1[nH]c(SCc2ccc(Cl)cc2)n[n+]2c1-c1ccccc1N[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000261363426 572105362 /nfs/dbraw/zinc/10/53/62/572105362.db2.gz HDKCIOJYBOJKOZ-XMMPIXPASA-O 1 2 500.007 5.445 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@@H]1c1cccc(OC2CCCC2)c1 ZINC000261365164 572107172 /nfs/dbraw/zinc/10/71/72/572107172.db2.gz QMROVZMCFGRGHT-GDLZYMKVSA-O 1 2 560.099 6.317 40 0 KKABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)c(Br)c(Br)c1O ZINC000261365702 572108551 /nfs/dbraw/zinc/10/85/51/572108551.db2.gz USOWZWSNSOLSHA-QFIPXVFZSA-O 1 2 603.316 5.641 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)cc(OC)c1OC ZINC000261365882 572108563 /nfs/dbraw/zinc/10/85/63/572108563.db2.gz VZUUTYRMSZDAFJ-VWLOTQADSA-O 1 2 574.521 5.502 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(C)nn(-c2ccccc2)c1Cl ZINC000261366066 572108632 /nfs/dbraw/zinc/10/86/32/572108632.db2.gz XEODLGSRAKBWEA-AREMUKBSSA-O 1 2 536.081 5.480 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1ccc(O)c(OCC)c1 ZINC000261366128 572109084 /nfs/dbraw/zinc/10/90/84/572109084.db2.gz XMWFXTUEBFVFFV-JOCHJYFZSA-O 1 2 532.484 5.648 40 0 KKABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1ccccc1F ZINC000408554544 572241961 /nfs/dbraw/zinc/24/19/61/572241961.db2.gz BUXWAMLHQJLAOX-UHFFFAOYSA-N 1 2 559.663 5.183 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cccc(OC)c2OCc2ccccc2)c(OC)cc1Cl ZINC000408555770 572243262 /nfs/dbraw/zinc/24/32/62/572243262.db2.gz IIBOAFSUKBNIGN-AREMUKBSSA-N 1 2 562.026 5.117 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(C(C)C)cc2)cc1 ZINC000408605530 572274460 /nfs/dbraw/zinc/27/44/60/572274460.db2.gz JDXZNPUUQXBEOH-JXMROGBWSA-N 1 2 531.722 5.171 40 0 KKABLO O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408619295 572280567 /nfs/dbraw/zinc/28/05/67/572280567.db2.gz HDFZIJRSJLFWIQ-QPJJXVBHSA-N 1 2 602.982 5.151 40 0 KKABLO O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408620135 572280893 /nfs/dbraw/zinc/28/08/93/572280893.db2.gz KNFQMXRLAKSZCW-JXMROGBWSA-N 1 2 558.531 5.042 40 0 KKABLO O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408621609 572281619 /nfs/dbraw/zinc/28/16/19/572281619.db2.gz NMNSTICHPYYWFY-QPJJXVBHSA-N 1 2 592.976 5.695 40 0 KKABLO Cc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1NC(=O)c1ccccc1 ZINC000408627469 572284526 /nfs/dbraw/zinc/28/45/26/572284526.db2.gz ZYGZEDUQCSGXCN-UHFFFAOYSA-N 1 2 525.674 5.343 40 0 KKABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408635512 572292541 /nfs/dbraw/zinc/29/25/41/572292541.db2.gz CRFIOBKPIKOGLI-UHFFFAOYSA-N 1 2 593.671 6.362 40 0 KKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500523 572294277 /nfs/dbraw/zinc/29/42/77/572294277.db2.gz UKTVVEPWLROSCO-SHQCIBLASA-N 1 2 518.637 5.261 40 0 KKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500523 572294279 /nfs/dbraw/zinc/29/42/79/572294279.db2.gz UKTVVEPWLROSCO-SHQCIBLASA-N 1 2 518.637 5.261 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ncc(Cc3ccc(F)cc3)s1)CC2 ZINC000257200964 572306404 /nfs/dbraw/zinc/30/64/04/572306404.db2.gz AFNRWHSTVFNNQI-UHFFFAOYSA-N 1 2 591.174 5.420 40 0 KKABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4nc(-c5ccc(F)cc5)cs4)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257204757 572306665 /nfs/dbraw/zinc/30/66/65/572306665.db2.gz AWERVEAHJGVNOF-MUUNZHRXSA-N 1 2 634.799 5.363 40 0 KKABLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@]4(CN(S(=O)(=O)c5ccc(C)cc5)[C@@H](CC(C)C)CO4)C3)c2)cs1 ZINC000257210569 572307284 /nfs/dbraw/zinc/30/72/84/572307284.db2.gz BVERVFZUTDLKEB-DHIFEGFHSA-N 1 2 596.819 5.336 40 0 KKABLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@@]4(CN(S(=O)(=O)c5ccc(C)cc5)[C@@H](CC(C)C)CO4)C3)c2)cs1 ZINC000257210569 572307285 /nfs/dbraw/zinc/30/72/85/572307285.db2.gz BVERVFZUTDLKEB-DHIFEGFHSA-N 1 2 596.819 5.336 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2ccccc2Br)C1 ZINC000257213135 572307486 /nfs/dbraw/zinc/30/74/86/572307486.db2.gz CGHQHJNLVJVANE-JWQCQUIFSA-N 1 2 529.862 5.487 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2ccccc2Br)C1 ZINC000257213135 572307488 /nfs/dbraw/zinc/30/74/88/572307488.db2.gz CGHQHJNLVJVANE-JWQCQUIFSA-N 1 2 529.862 5.487 40 0 KKABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257228619 572309035 /nfs/dbraw/zinc/30/90/35/572309035.db2.gz FUOZLIANNSYXNF-MFMCTBQISA-N 1 2 506.618 5.274 40 0 KKABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257228619 572309036 /nfs/dbraw/zinc/30/90/36/572309036.db2.gz FUOZLIANNSYXNF-MFMCTBQISA-N 1 2 506.618 5.274 40 0 KKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@H]1Oc1ccccc1 ZINC000257237186 572309909 /nfs/dbraw/zinc/30/99/09/572309909.db2.gz HFNATZARRRTBOH-LSYYVWMOSA-N 1 2 511.663 5.276 40 0 KKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@H]1Oc1ccccc1 ZINC000257237186 572309910 /nfs/dbraw/zinc/30/99/10/572309910.db2.gz HFNATZARRRTBOH-LSYYVWMOSA-N 1 2 511.663 5.276 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)CC2 ZINC000257245452 572310655 /nfs/dbraw/zinc/31/06/55/572310655.db2.gz IPOUFZZPVHGMGF-UHFFFAOYSA-N 1 2 577.147 5.497 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Br)c2)Cc2ccccc2Cl)C1 ZINC000257249751 572311087 /nfs/dbraw/zinc/31/10/87/572311087.db2.gz JJQCHLHHNCXEJL-JWQCQUIFSA-N 1 2 529.862 5.487 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Br)c2)Cc2ccccc2Cl)C1 ZINC000257249751 572311088 /nfs/dbraw/zinc/31/10/88/572311088.db2.gz JJQCHLHHNCXEJL-JWQCQUIFSA-N 1 2 529.862 5.487 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc(Oc5ccccc5)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257290098 572314915 /nfs/dbraw/zinc/31/49/15/572314915.db2.gz QBPGKGUFMVUMQW-QPQHGXMVSA-N 1 2 591.774 5.696 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc(Oc5ccccc5)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257290098 572314917 /nfs/dbraw/zinc/31/49/17/572314917.db2.gz QBPGKGUFMVUMQW-QPQHGXMVSA-N 1 2 591.774 5.696 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2cc(Cl)ccc2Cl)C1 ZINC000257303180 572316134 /nfs/dbraw/zinc/31/61/34/572316134.db2.gz SGCYQHWOHWCXOG-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2cc(Cl)ccc2Cl)C1 ZINC000257303180 572316135 /nfs/dbraw/zinc/31/61/35/572316135.db2.gz SGCYQHWOHWCXOG-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO C=C1[NH+]=C(SCc2ccc(Cl)c(Cl)c2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000409337925 1070860153 /nfs/dbraw/zinc/86/01/53/1070860153.db2.gz ZPSGJKNOLFYUIT-IBGZPJMESA-N 1 2 504.266 7.071 40 0 KKABLO Cc1ccccc1CCc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000585266512 1071002911 /nfs/dbraw/zinc/00/29/11/1071002911.db2.gz BJOXBDHJUUMGHG-MHZLTWQESA-N 1 2 515.061 5.261 40 0 KKABLO Cc1ccccc1CCc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000585266512 1071002929 /nfs/dbraw/zinc/00/29/29/1071002929.db2.gz BJOXBDHJUUMGHG-MHZLTWQESA-N 1 2 515.061 5.261 40 0 KKABLO O=C(Nc1ccccc1)[C@H]([NH2+]CCN[C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000408734054 1071567668 /nfs/dbraw/zinc/56/76/68/1071567668.db2.gz GRRAWPSOGGRSIP-HNRBIFIRSA-N 1 2 547.486 6.232 40 0 KKABLO O=C(Nc1ccccc1)[C@H](NCC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000408734054 1071567674 /nfs/dbraw/zinc/56/76/74/1071567674.db2.gz GRRAWPSOGGRSIP-HNRBIFIRSA-N 1 2 547.486 6.232 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCc4ccc(Cl)cc4Cl)sc3c2)CC1 ZINC000408749273 1071685615 /nfs/dbraw/zinc/68/56/15/1071685615.db2.gz MXEJQULFQORNTR-UHFFFAOYSA-N 1 2 571.555 6.535 40 0 KKABLO Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)c1 ZINC000408749245 1071684931 /nfs/dbraw/zinc/68/49/31/1071684931.db2.gz MDCXWBJXXNFJED-UHFFFAOYSA-N 1 2 573.744 5.284 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCc4ccccc4Cl)sc3c2)CC1 ZINC000408748264 1071693703 /nfs/dbraw/zinc/69/37/03/1071693703.db2.gz AZFXSRWHOWINLI-UHFFFAOYSA-N 1 2 537.110 5.882 40 0 KKABLO O=C(C[NH+](CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000000873350 551554284 /nfs/dbraw/zinc/55/42/84/551554284.db2.gz XDAULGDBDBEGBM-UHFFFAOYSA-N 1 2 501.471 5.936 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000001374037 551653018 /nfs/dbraw/zinc/65/30/18/551653018.db2.gz UUFVIQVJMXCFNW-MHZLTWQESA-N 1 2 536.636 5.008 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000001374037 551653019 /nfs/dbraw/zinc/65/30/19/551653019.db2.gz UUFVIQVJMXCFNW-MHZLTWQESA-N 1 2 536.636 5.008 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374067 551653028 /nfs/dbraw/zinc/65/30/28/551653028.db2.gz FMJGOKKWHKFUSK-SANMLTNESA-N 1 2 500.578 5.011 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374067 551653029 /nfs/dbraw/zinc/65/30/29/551653029.db2.gz FMJGOKKWHKFUSK-SANMLTNESA-N 1 2 500.578 5.011 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374257 551653511 /nfs/dbraw/zinc/65/35/11/551653511.db2.gz JGESJIQTISMPCX-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374257 551653512 /nfs/dbraw/zinc/65/35/12/551653512.db2.gz JGESJIQTISMPCX-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374501 551654091 /nfs/dbraw/zinc/65/40/91/551654091.db2.gz NYXRFHJTZQUERQ-GDLZYMKVSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374501 551654092 /nfs/dbraw/zinc/65/40/92/551654092.db2.gz NYXRFHJTZQUERQ-GDLZYMKVSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374940 551655535 /nfs/dbraw/zinc/65/55/35/551655535.db2.gz BDBXAWZBMURVED-XMMPIXPASA-N 1 2 518.662 5.139 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374940 551655537 /nfs/dbraw/zinc/65/55/37/551655537.db2.gz BDBXAWZBMURVED-XMMPIXPASA-N 1 2 518.662 5.139 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375071 551656391 /nfs/dbraw/zinc/65/63/91/551656391.db2.gz UCJJSUCDYASCDD-MHZLTWQESA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375071 551656393 /nfs/dbraw/zinc/65/63/93/551656393.db2.gz UCJJSUCDYASCDD-MHZLTWQESA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375389 551656891 /nfs/dbraw/zinc/65/68/91/551656891.db2.gz VWCNGSVRNOHSPN-MUUNZHRXSA-N 1 2 550.663 5.256 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375389 551656894 /nfs/dbraw/zinc/65/68/94/551656894.db2.gz VWCNGSVRNOHSPN-MUUNZHRXSA-N 1 2 550.663 5.256 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375482 551657238 /nfs/dbraw/zinc/65/72/38/551657238.db2.gz CFUKTELDAKTGPP-SANMLTNESA-N 1 2 554.626 5.201 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375482 551657240 /nfs/dbraw/zinc/65/72/40/551657240.db2.gz CFUKTELDAKTGPP-SANMLTNESA-N 1 2 554.626 5.201 40 0 KKABLO Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(C[NH+]4CCCCC4)c3oc2C(F)(F)F)cc1C ZINC000001785114 551699145 /nfs/dbraw/zinc/69/91/45/551699145.db2.gz JLYBMVVMUFEBRK-UHFFFAOYSA-N 1 2 569.551 7.565 40 0 KKABLO O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000002397679 552110441 /nfs/dbraw/zinc/11/04/41/552110441.db2.gz RKZMISDPZMQPAD-PJSZEURISA-N 1 2 531.011 6.322 40 0 KKABLO O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000002397679 552110445 /nfs/dbraw/zinc/11/04/45/552110445.db2.gz RKZMISDPZMQPAD-PJSZEURISA-N 1 2 531.011 6.322 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000006149458 552550538 /nfs/dbraw/zinc/55/05/38/552550538.db2.gz GEUZMNLQHLTTCV-LJAQVGFWSA-N 1 2 536.680 5.503 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000006149458 552550540 /nfs/dbraw/zinc/55/05/40/552550540.db2.gz GEUZMNLQHLTTCV-LJAQVGFWSA-N 1 2 536.680 5.503 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006196793 552568840 /nfs/dbraw/zinc/56/88/40/552568840.db2.gz PYFFVSXKHJNIDA-LJAQVGFWSA-N 1 2 526.685 5.463 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006196940 552569176 /nfs/dbraw/zinc/56/91/76/552569176.db2.gz PYFFVSXKHJNIDA-GDLZYMKVSA-N 1 2 526.685 5.463 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006197913 552569557 /nfs/dbraw/zinc/56/95/57/552569557.db2.gz GSHHGRALNSERPF-NDEPHWFRSA-N 1 2 540.737 6.118 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006197913 552569559 /nfs/dbraw/zinc/56/95/59/552569559.db2.gz GSHHGRALNSERPF-NDEPHWFRSA-N 1 2 540.737 6.118 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006198187 552570019 /nfs/dbraw/zinc/57/00/19/552570019.db2.gz AKXWYYPFOAWHQY-GDLZYMKVSA-N 1 2 538.721 6.088 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006198187 552570020 /nfs/dbraw/zinc/57/00/20/552570020.db2.gz AKXWYYPFOAWHQY-GDLZYMKVSA-N 1 2 538.721 6.088 40 0 KKABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006301829 552580682 /nfs/dbraw/zinc/58/06/82/552580682.db2.gz CSODTPKKLLKRPC-GDLZYMKVSA-N 1 2 510.686 5.681 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321342 552581244 /nfs/dbraw/zinc/58/12/44/552581244.db2.gz IUHCBHIBCSWZMU-GRKNLSHJSA-N 1 2 548.691 5.145 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321342 552581247 /nfs/dbraw/zinc/58/12/47/552581247.db2.gz IUHCBHIBCSWZMU-GRKNLSHJSA-N 1 2 548.691 5.145 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc12 ZINC000006322018 552581271 /nfs/dbraw/zinc/58/12/71/552581271.db2.gz IIZZZPJAVFTAFC-LJAQVGFWSA-N 1 2 538.671 5.860 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc12 ZINC000006322018 552581275 /nfs/dbraw/zinc/58/12/75/552581275.db2.gz IIZZZPJAVFTAFC-LJAQVGFWSA-N 1 2 538.671 5.860 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321402 552581348 /nfs/dbraw/zinc/58/13/48/552581348.db2.gz HEEKOERTBCXSKE-SSEXGKCCSA-N 1 2 518.665 5.224 40 0 KKABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)ccc(C)c3[nH]c2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006405779 552582425 /nfs/dbraw/zinc/58/24/25/552582425.db2.gz WOUZWGUVZZVJJD-WJOKGBTCSA-N 1 2 548.691 5.232 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006443845 552586098 /nfs/dbraw/zinc/58/60/98/552586098.db2.gz JIKRQHISNUUUCB-YTTGMZPUSA-N 1 2 540.671 5.706 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006443845 552586099 /nfs/dbraw/zinc/58/60/99/552586099.db2.gz JIKRQHISNUUUCB-YTTGMZPUSA-N 1 2 540.671 5.706 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)c(C)c1 ZINC000008900474 553181399 /nfs/dbraw/zinc/18/13/99/553181399.db2.gz LFTHOJRGGBGEPA-UHFFFAOYSA-N 1 2 514.029 7.049 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000013494733 553460374 /nfs/dbraw/zinc/46/03/74/553460374.db2.gz DWEQOMCOOQNBTC-NDEPHWFRSA-N 1 2 526.616 5.254 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000013494733 553460376 /nfs/dbraw/zinc/46/03/76/553460376.db2.gz DWEQOMCOOQNBTC-NDEPHWFRSA-N 1 2 526.616 5.254 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494797 553460557 /nfs/dbraw/zinc/46/05/57/553460557.db2.gz HALFGRZSZXDIBQ-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494797 553460560 /nfs/dbraw/zinc/46/05/60/553460560.db2.gz HALFGRZSZXDIBQ-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494838 553460572 /nfs/dbraw/zinc/46/05/72/553460572.db2.gz AECPMXXMPHVVKW-GDLZYMKVSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494838 553460575 /nfs/dbraw/zinc/46/05/75/553460575.db2.gz AECPMXXMPHVVKW-GDLZYMKVSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494798 553460606 /nfs/dbraw/zinc/46/06/06/553460606.db2.gz HALFGRZSZXDIBQ-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494798 553460608 /nfs/dbraw/zinc/46/06/08/553460608.db2.gz HALFGRZSZXDIBQ-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013494865 553460786 /nfs/dbraw/zinc/46/07/86/553460786.db2.gz HCMJLMOVLVIJIO-HHHXNRCGSA-N 1 2 512.614 5.017 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013494865 553460787 /nfs/dbraw/zinc/46/07/87/553460787.db2.gz HCMJLMOVLVIJIO-HHHXNRCGSA-N 1 2 512.614 5.017 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495014 553461071 /nfs/dbraw/zinc/46/10/71/553461071.db2.gz PLFZCAPYYHKEDQ-NDEPHWFRSA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495014 553461072 /nfs/dbraw/zinc/46/10/72/553461072.db2.gz PLFZCAPYYHKEDQ-NDEPHWFRSA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495029 553461135 /nfs/dbraw/zinc/46/11/35/553461135.db2.gz AOYJIBRIKVIBSA-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495029 553461137 /nfs/dbraw/zinc/46/11/37/553461137.db2.gz AOYJIBRIKVIBSA-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494959 553461161 /nfs/dbraw/zinc/46/11/61/553461161.db2.gz CLFIAQUEMFVYQW-AREMUKBSSA-N 1 2 514.580 5.303 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494959 553461163 /nfs/dbraw/zinc/46/11/63/553461163.db2.gz CLFIAQUEMFVYQW-AREMUKBSSA-N 1 2 514.580 5.303 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495053 553461379 /nfs/dbraw/zinc/46/13/79/553461379.db2.gz VJRFAMSSUMCVPG-VWLOTQADSA-N 1 2 506.626 5.351 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495053 553461380 /nfs/dbraw/zinc/46/13/80/553461380.db2.gz VJRFAMSSUMCVPG-VWLOTQADSA-N 1 2 506.626 5.351 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495251 553461990 /nfs/dbraw/zinc/46/19/90/553461990.db2.gz GDLBYLOZEXMTRV-RUZDIDTESA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495251 553461991 /nfs/dbraw/zinc/46/19/91/553461991.db2.gz GDLBYLOZEXMTRV-RUZDIDTESA-N 1 2 528.657 5.519 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498476 553464787 /nfs/dbraw/zinc/46/47/87/553464787.db2.gz TZRUTRHMEYFDBE-VWLOTQADSA-N 1 2 502.644 5.179 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498476 553464788 /nfs/dbraw/zinc/46/47/88/553464788.db2.gz TZRUTRHMEYFDBE-VWLOTQADSA-N 1 2 502.644 5.179 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500840 553466266 /nfs/dbraw/zinc/46/62/66/553466266.db2.gz GXIWSHKGZDNESP-AREMUKBSSA-N 1 2 512.614 5.017 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500840 553466269 /nfs/dbraw/zinc/46/62/69/553466269.db2.gz GXIWSHKGZDNESP-AREMUKBSSA-N 1 2 512.614 5.017 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500825 553466274 /nfs/dbraw/zinc/46/62/74/553466274.db2.gz TUPRYYLEXAQLCQ-VWLOTQADSA-N 1 2 514.630 5.210 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500825 553466276 /nfs/dbraw/zinc/46/62/76/553466276.db2.gz TUPRYYLEXAQLCQ-VWLOTQADSA-N 1 2 514.630 5.210 40 0 KKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCC(=O)OCc2ccccc2)cc1Cl ZINC000016758107 553581253 /nfs/dbraw/zinc/58/12/53/553581253.db2.gz GGLWAWGNOSMUSY-UHFFFAOYSA-N 1 2 500.023 6.885 40 0 KKABLO Clc1ccccc1CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757939 553581257 /nfs/dbraw/zinc/58/12/57/553581257.db2.gz QIMRWFAFEZBVKP-UHFFFAOYSA-N 1 2 506.856 7.796 40 0 KKABLO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000072130510 553642049 /nfs/dbraw/zinc/64/20/49/553642049.db2.gz PNYCXPQYRFQURW-UHFFFAOYSA-N 1 2 579.705 5.896 40 0 in-vitro KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019941548 553645042 /nfs/dbraw/zinc/64/50/42/553645042.db2.gz MXYURMLHHMKIHR-LJAQVGFWSA-N 1 2 520.681 5.802 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019941548 553645044 /nfs/dbraw/zinc/64/50/44/553645044.db2.gz MXYURMLHHMKIHR-LJAQVGFWSA-N 1 2 520.681 5.802 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000019972891 553650064 /nfs/dbraw/zinc/65/00/64/553650064.db2.gz GCTMSGJLJJUYBH-MUUNZHRXSA-N 1 2 524.644 5.551 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000019972891 553650068 /nfs/dbraw/zinc/65/00/68/553650068.db2.gz GCTMSGJLJJUYBH-MUUNZHRXSA-N 1 2 524.644 5.551 40 0 KKABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000020050250 553670776 /nfs/dbraw/zinc/67/07/76/553670776.db2.gz YXGNJUODOMRCAG-UHFFFAOYSA-N 1 2 509.031 5.182 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000020079825 553677336 /nfs/dbraw/zinc/67/73/36/553677336.db2.gz YXYQMWNERGIKIF-HKBQPEDESA-N 1 2 532.692 6.081 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000020079825 553677339 /nfs/dbraw/zinc/67/73/39/553677339.db2.gz YXYQMWNERGIKIF-HKBQPEDESA-N 1 2 532.692 6.081 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020079817 553677357 /nfs/dbraw/zinc/67/73/57/553677357.db2.gz YZTRAGLHPWKQOK-PMERELPUSA-N 1 2 534.708 6.111 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020079817 553677359 /nfs/dbraw/zinc/67/73/59/553677359.db2.gz YZTRAGLHPWKQOK-PMERELPUSA-N 1 2 534.708 6.111 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(Cl)cc4Cl)cc3n2)c(C)c1 ZINC000020611096 553679387 /nfs/dbraw/zinc/67/93/87/553679387.db2.gz FLXFCLQSIICMAY-UHFFFAOYSA-N 1 2 526.468 6.516 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)c(C)c1 ZINC000020611095 553679480 /nfs/dbraw/zinc/67/94/80/553679480.db2.gz ZGBZTWMSDSSAKU-UHFFFAOYSA-N 1 2 506.050 6.171 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c12 ZINC000020082947 553682797 /nfs/dbraw/zinc/68/27/97/553682797.db2.gz HZBVMQSQJWEKJW-NDEPHWFRSA-N 1 2 524.644 5.551 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c12 ZINC000020082947 553682800 /nfs/dbraw/zinc/68/28/00/553682800.db2.gz HZBVMQSQJWEKJW-NDEPHWFRSA-N 1 2 524.644 5.551 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000020083611 553684452 /nfs/dbraw/zinc/68/44/52/553684452.db2.gz XLZASKSVZIVSAR-LJAQVGFWSA-N 1 2 520.681 5.721 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000020083611 553684454 /nfs/dbraw/zinc/68/44/54/553684454.db2.gz XLZASKSVZIVSAR-LJAQVGFWSA-N 1 2 520.681 5.721 40 0 KKABLO CCCCCC(=O)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022594943 553747909 /nfs/dbraw/zinc/74/79/09/553747909.db2.gz MZVWKOLPWXSSCK-UHFFFAOYSA-N 1 2 535.676 6.439 40 0 KKABLO Cc1ccc(C(=O)C[C@@H](c2ccccc2)N2CC[NH+]([C@@H](CC(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000022942812 553768435 /nfs/dbraw/zinc/76/84/35/553768435.db2.gz CPTMPBSMUACENK-HEVIKAOCSA-N 1 2 530.712 7.249 40 0 KKABLO Cc1ccc([C@@H](CC(=O)c2ccccc2)N2CC[NH+]([C@@H](CC(=O)c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000022947970 553768645 /nfs/dbraw/zinc/76/86/45/553768645.db2.gz WBOZSTZDMYHSEE-AQOUDTPCSA-N 1 2 530.712 7.249 40 0 KKABLO Cc1ccc([C@@H](CC(=O)c2ccccc2)[NH+]2CCN([C@@H](CC(=O)c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000022947970 553768646 /nfs/dbraw/zinc/76/86/46/553768646.db2.gz WBOZSTZDMYHSEE-AQOUDTPCSA-N 1 2 530.712 7.249 40 0 KKABLO CS(=O)(=O)N(Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)c1cccc(Cl)c1Cl ZINC000100090064 554210405 /nfs/dbraw/zinc/21/04/05/554210405.db2.gz MFGSPYMDXMVNDL-RMKNXTFCSA-N 1 2 558.531 5.431 40 0 KKABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1[nH+]cnc3c1cnn3-c1ccc(Cl)cc1)CCCC2 ZINC000100346640 554330387 /nfs/dbraw/zinc/33/03/87/554330387.db2.gz GAOPAZFBKCCQNB-UHFFFAOYSA-N 1 2 528.059 5.317 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371743 554357454 /nfs/dbraw/zinc/35/74/54/554357454.db2.gz OLDYYMQMUZEJQF-LJAQVGFWSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371743 554357457 /nfs/dbraw/zinc/35/74/57/554357457.db2.gz OLDYYMQMUZEJQF-LJAQVGFWSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371887 554357498 /nfs/dbraw/zinc/35/74/98/554357498.db2.gz UFKBNQIZWAOVHJ-GDLZYMKVSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371887 554357502 /nfs/dbraw/zinc/35/75/02/554357502.db2.gz UFKBNQIZWAOVHJ-GDLZYMKVSA-N 1 2 540.643 5.481 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057589772 554357726 /nfs/dbraw/zinc/35/77/26/554357726.db2.gz WORPZRXCQDBXFA-SANMLTNESA-N 1 2 500.622 5.294 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057589772 554357723 /nfs/dbraw/zinc/35/77/23/554357723.db2.gz WORPZRXCQDBXFA-SANMLTNESA-N 1 2 500.622 5.294 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372530 554357858 /nfs/dbraw/zinc/35/78/58/554357858.db2.gz VAQJJHPNKOQMQW-MUUNZHRXSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372530 554357861 /nfs/dbraw/zinc/35/78/61/554357861.db2.gz VAQJJHPNKOQMQW-MUUNZHRXSA-N 1 2 540.643 5.481 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100374356 554358849 /nfs/dbraw/zinc/35/88/49/554358849.db2.gz CDRICBWPYORXNU-GDLZYMKVSA-N 1 2 538.652 5.124 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100374356 554358850 /nfs/dbraw/zinc/35/88/50/554358850.db2.gz CDRICBWPYORXNU-GDLZYMKVSA-N 1 2 538.652 5.124 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100374849 554359154 /nfs/dbraw/zinc/35/91/54/554359154.db2.gz HYKXPAJEEOYUNU-MUUNZHRXSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100374849 554359158 /nfs/dbraw/zinc/35/91/58/554359158.db2.gz HYKXPAJEEOYUNU-MUUNZHRXSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375259 554359618 /nfs/dbraw/zinc/35/96/18/554359618.db2.gz JDACMEUCPHNPAQ-AREMUKBSSA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375259 554359622 /nfs/dbraw/zinc/35/96/22/554359622.db2.gz JDACMEUCPHNPAQ-AREMUKBSSA-N 1 2 536.636 5.062 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640624 554360656 /nfs/dbraw/zinc/36/06/56/554360656.db2.gz YCIHYJFDGIPJPI-LJAQVGFWSA-N 1 2 522.653 5.287 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640624 554360659 /nfs/dbraw/zinc/36/06/59/554360659.db2.gz YCIHYJFDGIPJPI-LJAQVGFWSA-N 1 2 522.653 5.287 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640576 554360754 /nfs/dbraw/zinc/36/07/54/554360754.db2.gz YVIBBJMGNPPONO-SANMLTNESA-N 1 2 502.663 5.384 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640576 554360755 /nfs/dbraw/zinc/36/07/55/554360755.db2.gz YVIBBJMGNPPONO-SANMLTNESA-N 1 2 502.663 5.384 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641386 554362210 /nfs/dbraw/zinc/36/22/10/554362210.db2.gz WQCYPLFNVAAHNM-QHCPKHFHSA-N 1 2 522.675 5.252 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641386 554362206 /nfs/dbraw/zinc/36/22/06/554362206.db2.gz WQCYPLFNVAAHNM-QHCPKHFHSA-N 1 2 522.675 5.252 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641593 554362554 /nfs/dbraw/zinc/36/25/54/554362554.db2.gz CTYZFSVKSQRAIZ-LJAQVGFWSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641593 554362551 /nfs/dbraw/zinc/36/25/51/554362551.db2.gz CTYZFSVKSQRAIZ-LJAQVGFWSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641591 554362632 /nfs/dbraw/zinc/36/26/32/554362632.db2.gz IIIYZHUQPMNRHV-GDLZYMKVSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641591 554362628 /nfs/dbraw/zinc/36/26/28/554362628.db2.gz IIIYZHUQPMNRHV-GDLZYMKVSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641744 554362696 /nfs/dbraw/zinc/36/26/96/554362696.db2.gz NWSNBPQTMLTVCD-MUUNZHRXSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641744 554362699 /nfs/dbraw/zinc/36/26/99/554362699.db2.gz NWSNBPQTMLTVCD-MUUNZHRXSA-N 1 2 514.674 5.799 40 0 KKABLO COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000100381339 554363440 /nfs/dbraw/zinc/36/34/40/554363440.db2.gz XCYJQOAVTBWFSY-UHFFFAOYSA-N 1 2 559.519 5.460 40 0 KKABLO COc1cc2cc(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383186 554364152 /nfs/dbraw/zinc/36/41/52/554364152.db2.gz ZEAHKYWJQFXIMQ-GDLZYMKVSA-N 1 2 574.682 5.165 40 0 KKABLO COc1cc2cc(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383186 554364159 /nfs/dbraw/zinc/36/41/59/554364159.db2.gz ZEAHKYWJQFXIMQ-GDLZYMKVSA-N 1 2 574.682 5.165 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389313 554365874 /nfs/dbraw/zinc/36/58/74/554365874.db2.gz ZFPQLSBHIAQRRL-SANMLTNESA-N 1 2 544.656 5.301 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389313 554365877 /nfs/dbraw/zinc/36/58/77/554365877.db2.gz ZFPQLSBHIAQRRL-SANMLTNESA-N 1 2 544.656 5.301 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000059331607 554389718 /nfs/dbraw/zinc/38/97/18/554389718.db2.gz CDTGFDWCQLKFBF-LICLKQGHSA-N 1 2 526.710 6.225 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)cc3n2)cc1 ZINC000059331606 554389808 /nfs/dbraw/zinc/38/98/08/554389808.db2.gz WJLGVUPQABOWOI-OVCLIPMQSA-N 1 2 519.074 5.755 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)c(C)c1 ZINC000059331620 554389987 /nfs/dbraw/zinc/38/99/87/554389987.db2.gz ZQVMWLLQIFRQLN-UHFFFAOYSA-N 1 2 528.726 6.308 40 0 KKABLO O=C(C[C@H](c1ccccc1)N1CC[NH+]([C@H](CC(=O)c2ccc(F)cc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000059662489 554420751 /nfs/dbraw/zinc/42/07/51/554420751.db2.gz IAJIYVYKANKEHQ-ROJLCIKYSA-N 1 2 538.638 6.911 40 0 KKABLO C=C(F)c1ccccc1/C(=C\C)CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1 ZINC000100957285 554540162 /nfs/dbraw/zinc/54/01/62/554540162.db2.gz TWWMBXAYBHKBSS-OSSHXBFKSA-N 1 2 605.765 6.034 40 0 KKABLO Cc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Br)cc1Br ZINC000101371772 554744700 /nfs/dbraw/zinc/74/47/00/554744700.db2.gz UIJFKAUKARYTPO-UHFFFAOYSA-N 1 2 564.343 5.616 40 0 KKABLO Cc1ccc(N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)[C@@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000101994000 554864653 /nfs/dbraw/zinc/86/46/53/554864653.db2.gz NQGJPWNSWPMMFJ-QVWWMRLHSA-N 1 2 562.714 6.232 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102550079 554961279 /nfs/dbraw/zinc/96/12/79/554961279.db2.gz UIOGEXJBGYNMDY-CJRSTVEYSA-N 1 2 555.915 5.652 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102550079 554961280 /nfs/dbraw/zinc/96/12/80/554961280.db2.gz UIOGEXJBGYNMDY-CJRSTVEYSA-N 1 2 555.915 5.652 40 0 KKABLO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000102766295 555055238 /nfs/dbraw/zinc/05/52/38/555055238.db2.gz YCCPIQFTOOLLBA-SAYYPRSJSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000102766295 555055240 /nfs/dbraw/zinc/05/52/40/555055240.db2.gz YCCPIQFTOOLLBA-SAYYPRSJSA-N 1 2 532.427 5.316 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000102868516 555097969 /nfs/dbraw/zinc/09/79/69/555097969.db2.gz RHUJKEVBYIBCED-NEWJYFPISA-N 1 2 571.477 5.878 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000102868516 555097971 /nfs/dbraw/zinc/09/79/71/555097971.db2.gz RHUJKEVBYIBCED-NEWJYFPISA-N 1 2 571.477 5.878 40 0 KKABLO CCCOc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308899 555357533 /nfs/dbraw/zinc/35/75/33/555357533.db2.gz QWKISXAUMLFMGF-CYPQMOBWSA-N 1 2 598.655 6.186 40 0 KKABLO CCCOc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308899 555357535 /nfs/dbraw/zinc/35/75/35/555357535.db2.gz QWKISXAUMLFMGF-CYPQMOBWSA-N 1 2 598.655 6.186 40 0 KKABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)[N@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000103510327 555421911 /nfs/dbraw/zinc/42/19/11/555421911.db2.gz SQXOXQDFBMILLG-VKONIRKNSA-N 1 2 540.619 5.843 40 0 KKABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)[N@@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000103510327 555421915 /nfs/dbraw/zinc/42/19/15/555421915.db2.gz SQXOXQDFBMILLG-VKONIRKNSA-N 1 2 540.619 5.843 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103520639 555426195 /nfs/dbraw/zinc/42/61/95/555426195.db2.gz KJMJZULSXYHGRT-VZNYXHRGSA-N 1 2 526.592 5.535 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103520639 555426196 /nfs/dbraw/zinc/42/61/96/555426196.db2.gz KJMJZULSXYHGRT-VZNYXHRGSA-N 1 2 526.592 5.535 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c1 ZINC000103521675 555426922 /nfs/dbraw/zinc/42/69/22/555426922.db2.gz NEYJUINPJFJKDW-YCHSVXFSSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c1 ZINC000103521675 555426927 /nfs/dbraw/zinc/42/69/27/555426927.db2.gz NEYJUINPJFJKDW-YCHSVXFSSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103522921 555427343 /nfs/dbraw/zinc/42/73/43/555427343.db2.gz DTXLLFCDICIPLB-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103522921 555427346 /nfs/dbraw/zinc/42/73/46/555427346.db2.gz DTXLLFCDICIPLB-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000103527952 555429363 /nfs/dbraw/zinc/42/93/63/555429363.db2.gz JHARCBVMTBBHAN-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000103527952 555429365 /nfs/dbraw/zinc/42/93/65/555429365.db2.gz JHARCBVMTBBHAN-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c1 ZINC000103529561 555429875 /nfs/dbraw/zinc/42/98/75/555429875.db2.gz MCLUGWMIYDFSRB-YCHSVXFSSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c1 ZINC000103529561 555429880 /nfs/dbraw/zinc/42/98/80/555429880.db2.gz MCLUGWMIYDFSRB-YCHSVXFSSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103532480 555432914 /nfs/dbraw/zinc/43/29/14/555432914.db2.gz HJIJOMZEEAUFHC-GYEXEWKGSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103532480 555432916 /nfs/dbraw/zinc/43/29/16/555432916.db2.gz HJIJOMZEEAUFHC-GYEXEWKGSA-N 1 2 591.063 6.339 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103537933 555436737 /nfs/dbraw/zinc/43/67/37/555436737.db2.gz GJKPHDMNCVZQEB-AXXJGTDDSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103537933 555436744 /nfs/dbraw/zinc/43/67/44/555436744.db2.gz GJKPHDMNCVZQEB-AXXJGTDDSA-N 1 2 586.644 5.694 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103560697 555448884 /nfs/dbraw/zinc/44/88/84/555448884.db2.gz XHQKDOQCUSFTIT-ZXYZSCNASA-N 1 2 595.482 6.842 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103560697 555448889 /nfs/dbraw/zinc/44/88/89/555448889.db2.gz XHQKDOQCUSFTIT-ZXYZSCNASA-N 1 2 595.482 6.842 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccs3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288146 571361610 /nfs/dbraw/zinc/36/16/10/571361610.db2.gz UYDGXMBPUCJLHT-NGTMZHBCSA-N 1 2 560.675 6.519 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccs3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288146 571361611 /nfs/dbraw/zinc/36/16/11/571361611.db2.gz UYDGXMBPUCJLHT-NGTMZHBCSA-N 1 2 560.675 6.519 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288071 571361622 /nfs/dbraw/zinc/36/16/22/571361622.db2.gz HMSACZQRUSJPKE-CYPQMOBWSA-N 1 2 598.655 6.186 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288071 571361623 /nfs/dbraw/zinc/36/16/23/571361623.db2.gz HMSACZQRUSJPKE-CYPQMOBWSA-N 1 2 598.655 6.186 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cc(OC)ccc3OC)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287965 571361636 /nfs/dbraw/zinc/36/16/36/571361636.db2.gz KITQYGYVCYNJBY-OSZGUBSQSA-N 1 2 614.698 6.474 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cc(OC)ccc3OC)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287965 571361637 /nfs/dbraw/zinc/36/16/37/571361637.db2.gz KITQYGYVCYNJBY-OSZGUBSQSA-N 1 2 614.698 6.474 40 0 KKABLO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104132270 571374537 /nfs/dbraw/zinc/37/45/37/571374537.db2.gz GZBQTBKLJFKHPL-KHLUAOTOSA-N 1 2 575.020 6.050 40 0 KKABLO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104132270 571374538 /nfs/dbraw/zinc/37/45/38/571374538.db2.gz GZBQTBKLJFKHPL-KHLUAOTOSA-N 1 2 575.020 6.050 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)cc1 ZINC000104329692 571379254 /nfs/dbraw/zinc/37/92/54/571379254.db2.gz MPHFRNZUJGPBOQ-JQIJEIRASA-N 1 2 560.485 7.794 40 0 KKABLO Cc1ccc(CN(c2ccc3sc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3c2)S(C)(=O)=O)cc1 ZINC000104403539 571380226 /nfs/dbraw/zinc/38/02/26/571380226.db2.gz CRLPGNKRQKPFOR-UHFFFAOYSA-N 1 2 533.719 5.134 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCc5ccc(Cl)cc5)c(OC)c4)cc3n2)cc1 ZINC000105026274 571389954 /nfs/dbraw/zinc/38/99/54/571389954.db2.gz FUQIBKPLGCLUIZ-UHFFFAOYSA-N 1 2 570.093 7.068 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 ZINC000105313833 571398132 /nfs/dbraw/zinc/39/81/32/571398132.db2.gz ZCJWOCNLZSPHRB-UHFFFAOYSA-N 1 2 548.716 6.220 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Br)ccc4OC)cc3n2)c(C)c1 ZINC000105314010 571398240 /nfs/dbraw/zinc/39/82/40/571398240.db2.gz WSRGYMUMTZTRIZ-UHFFFAOYSA-N 1 2 581.540 5.781 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)c(C)c1 ZINC000105313965 571398258 /nfs/dbraw/zinc/39/82/58/571398258.db2.gz DMSZEOPTANJUBU-UHFFFAOYSA-N 1 2 537.089 5.672 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)cc3n2)c(C)c1 ZINC000105314136 571398290 /nfs/dbraw/zinc/39/82/90/571398290.db2.gz LQWQGIHIHQEDOI-LFIBNONCSA-N 1 2 540.737 6.533 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5cc(Cl)cc(Cl)c5)o4)cc3n2)cc1 ZINC000105320871 571402289 /nfs/dbraw/zinc/40/22/89/571402289.db2.gz QVOMQGZHMBKTMD-ACCUITESSA-N 1 2 560.485 7.794 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3n2)c(C)c1 ZINC000105320901 571402331 /nfs/dbraw/zinc/40/23/31/571402331.db2.gz HRPDUUHGUSXIAQ-UHFFFAOYSA-N 1 2 548.474 7.703 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Br)ccc4Cl)cc3n2)c(C)c1 ZINC000105320942 571402361 /nfs/dbraw/zinc/40/23/61/571402361.db2.gz KMQAJVHQGVQKLD-UHFFFAOYSA-N 1 2 526.866 6.552 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5c(Br)cccc45)cc3n2)c(C)c1 ZINC000105320873 571402365 /nfs/dbraw/zinc/40/23/65/571402365.db2.gz HWUPCOXWXRFNFY-UHFFFAOYSA-N 1 2 542.481 7.052 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4c(Cl)c(C)c(Cl)c(C)c4Cl)cc3n2)c(C)c1 ZINC000105321015 571402429 /nfs/dbraw/zinc/40/24/29/571402429.db2.gz YXLWZSLHPPIVKX-UHFFFAOYSA-N 1 2 574.940 7.478 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(-c5cc6ccccc6oc5=O)c4)cc3n2)c(C)c1 ZINC000105320994 571402445 /nfs/dbraw/zinc/40/24/45/571402445.db2.gz MGJGCXDAVVOJNJ-UHFFFAOYSA-N 1 2 557.654 6.909 40 0 KKABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CCC[NH+]1CCOCC1 ZINC000223202127 571444254 /nfs/dbraw/zinc/44/42/54/571444254.db2.gz PWVUYWJQLAFBSR-BJKOFHAPSA-N 1 2 517.482 5.343 40 0 KKABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CCC[NH+]1CCOCC1 ZINC000223202302 571444295 /nfs/dbraw/zinc/44/42/95/571444295.db2.gz PWVUYWJQLAFBSR-RPWUZVMVSA-N 1 2 517.482 5.343 40 0 KKABLO CC(C)(C)OC(=O)N1CCC(C[NH+](CC(=O)N(Cc2cccc(Cl)c2)C2CC2)CC(=O)N(Cc2cccc(Cl)c2)C2CC2)CC1 ZINC000150366449 571464783 /nfs/dbraw/zinc/46/47/83/571464783.db2.gz SCXDVGDYKCXABK-UHFFFAOYSA-N 1 2 657.683 6.625 40 0 KKABLO O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382734 571467468 /nfs/dbraw/zinc/46/74/68/571467468.db2.gz BEHNBKWCWKCQRR-NXWRKTHKSA-N 1 2 793.045 10.396 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Br)cc(Br)c4OC)cc3n2)cc1 ZINC000150398226 571477187 /nfs/dbraw/zinc/47/71/87/571477187.db2.gz NZANOMNMQMFXSN-UHFFFAOYSA-N 1 2 646.409 6.236 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000150428357 571491928 /nfs/dbraw/zinc/49/19/28/571491928.db2.gz XSWDFWVEFIXRBE-SPOCJGCTSA-N 1 2 633.498 6.356 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000150428357 571491931 /nfs/dbraw/zinc/49/19/31/571491931.db2.gz XSWDFWVEFIXRBE-SPOCJGCTSA-N 1 2 633.498 6.356 40 0 KKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224224603 571500818 /nfs/dbraw/zinc/50/08/18/571500818.db2.gz RTZJNXAPHBIIJZ-DHZHZOJOSA-N 1 2 518.657 6.412 40 0 KKABLO CCOc1cc(-c2nc3sc(-c4ccc(OCC[NH+]5CCOCC5)c(OCC)c4)nc3s2)ccc1OCCN1CCOCC1 ZINC000150645445 571525027 /nfs/dbraw/zinc/52/50/27/571525027.db2.gz QFBQOJZDUNPZPZ-UHFFFAOYSA-N 1 2 640.828 5.306 40 0 KKABLO COc1c(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)cc2ccccc2c1Br ZINC000161929709 571531329 /nfs/dbraw/zinc/53/13/29/571531329.db2.gz ASOTXBPLEIUPJQ-UHFFFAOYSA-N 1 2 658.449 7.367 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224504360 571562324 /nfs/dbraw/zinc/56/23/24/571562324.db2.gz WUEXZXSQRSGMSD-RPBOFIJWSA-N 1 2 518.484 5.878 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224525727 571566653 /nfs/dbraw/zinc/56/66/53/571566653.db2.gz MNLZYGJICQOYQW-UHFFFAOYSA-N 1 2 530.665 5.649 40 0 KKABLO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000215917041 571587529 /nfs/dbraw/zinc/58/75/29/571587529.db2.gz HGJAJHCHQDHBOV-UHFFFAOYSA-N 1 2 536.657 5.506 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224645286 571593796 /nfs/dbraw/zinc/59/37/96/571593796.db2.gz ISQSWQAAXUKXSZ-IOWSJCHKSA-N 1 2 531.685 6.908 40 0 KKABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000224965466 571634614 /nfs/dbraw/zinc/63/46/14/571634614.db2.gz OBFGFMXFWMYNIE-CLJLJLNGSA-N 1 2 504.059 5.777 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)cc1 ZINC000225616733 571967117 /nfs/dbraw/zinc/96/71/17/571967117.db2.gz GSKRTGMPQDWHNK-WUFINQPMSA-N 1 2 528.657 5.079 40 0 KKABLO Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000225634272 571985986 /nfs/dbraw/zinc/98/59/86/571985986.db2.gz BKFXIEMPTTVFGL-LOYHVIPDSA-N 1 2 538.721 5.556 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261361894 572103699 /nfs/dbraw/zinc/10/36/99/572103699.db2.gz BKSIEROLOMSRMZ-AREMUKBSSA-O 1 2 521.707 5.853 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3)n[n+]2[C@@H]1c1ccc(Br)s1 ZINC000261362670 572104116 /nfs/dbraw/zinc/10/41/16/572104116.db2.gz DRVRXKYXTMQQJB-JOCHJYFZSA-O 1 2 526.461 5.166 40 0 KKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000261363040 572104697 /nfs/dbraw/zinc/10/46/97/572104697.db2.gz FRTDTPCBFAGPSR-HSZRJFAPSA-O 1 2 524.420 5.185 40 0 KKABLO CCCOc1ccc2ccccc2c1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCCC)n[n+]21 ZINC000261363038 572104745 /nfs/dbraw/zinc/10/47/45/572104745.db2.gz OXTJYFIYHOTMPP-MHZLTWQESA-O 1 2 501.632 5.494 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000261363398 572105048 /nfs/dbraw/zinc/10/50/48/572105048.db2.gz HCTFJMLOCPGKAC-NDEPHWFRSA-O 1 2 560.030 6.395 40 0 KKABLO CCOc1c(Br)cc(Br)cc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364117 572106442 /nfs/dbraw/zinc/10/64/42/572106442.db2.gz JJFCJUKECZDWTM-OAQYLSRUSA-O 1 2 581.310 5.086 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261364080 572106451 /nfs/dbraw/zinc/10/64/51/572106451.db2.gz JCEYWBXVBUQXPJ-GOSISDBHSA-O 1 2 539.273 5.232 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)cc(Br)c1OC(C)=O ZINC000261364616 572106864 /nfs/dbraw/zinc/10/68/64/572106864.db2.gz MNZWHIWUYCECFE-RUZDIDTESA-O 1 2 606.950 6.064 40 0 KKABLO CCOc1cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)ccc1OC ZINC000261365079 572107191 /nfs/dbraw/zinc/10/71/91/572107191.db2.gz PWIZIHOFBCCSBH-MHZLTWQESA-O 1 2 550.060 5.403 40 0 KKABLO CCCOc1ccc2ccccc2c1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]21 ZINC000261366300 572109262 /nfs/dbraw/zinc/10/92/62/572109262.db2.gz YRLRKSQSJFZEEV-WJOKGBTCSA-O 1 2 584.121 6.938 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000261366233 572109266 /nfs/dbraw/zinc/10/92/66/572109266.db2.gz YEFJFUFPLMCCRU-RUZDIDTESA-O 1 2 541.575 6.221 40 0 KKABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328995955 572148270 /nfs/dbraw/zinc/14/82/70/572148270.db2.gz JJLROFZGIGKWFG-FQEVSTJZSA-N 1 2 525.369 5.846 40 0 KKABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328995965 572148291 /nfs/dbraw/zinc/14/82/91/572148291.db2.gz JJLROFZGIGKWFG-HXUWFJFHSA-N 1 2 525.369 5.846 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccccc2OCc2ccc(Cl)cc2)c(OC)cc1Cl ZINC000408556744 572244261 /nfs/dbraw/zinc/24/42/61/572244261.db2.gz LHWUHCFKOPGXHG-AREMUKBSSA-N 1 2 566.445 5.762 40 0 KKABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccccc2OCc2ccccc2Cl)cc1 ZINC000408557228 572244695 /nfs/dbraw/zinc/24/46/95/572244695.db2.gz NXVRMNZYBVRHSZ-RUZDIDTESA-N 1 2 501.974 5.100 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccccc2OCc2ccccc2Cl)c(OC)cc1Cl ZINC000408557792 572245269 /nfs/dbraw/zinc/24/52/69/572245269.db2.gz PYLCWRWHTDDVIO-SANMLTNESA-N 1 2 566.445 5.762 40 0 KKABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559580 572247006 /nfs/dbraw/zinc/24/70/06/572247006.db2.gz MQCYQCUFIWZOSR-UHFFFAOYSA-N 1 2 590.145 6.087 40 0 KKABLO O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408624543 572283073 /nfs/dbraw/zinc/28/30/73/572283073.db2.gz SUCAXAPEKSHUKW-JXMROGBWSA-N 1 2 578.056 5.412 40 0 KKABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500474 572294336 /nfs/dbraw/zinc/29/43/36/572294336.db2.gz QANBNVHNDPMCTR-VPUSJEBWSA-N 1 2 500.647 5.122 40 0 KKABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500474 572294337 /nfs/dbraw/zinc/29/43/37/572294337.db2.gz QANBNVHNDPMCTR-VPUSJEBWSA-N 1 2 500.647 5.122 40 0 KKABLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC3)CN(S(=O)(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)CO4)n2)cc1 ZINC000257200223 572306276 /nfs/dbraw/zinc/30/62/76/572306276.db2.gz ACMQEKBNMIEFIB-MUUNZHRXSA-N 1 2 646.835 5.233 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2F)C1 ZINC000257207116 572306997 /nfs/dbraw/zinc/30/69/97/572306997.db2.gz BGLASEWLBRRXKC-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2F)C1 ZINC000257207116 572306999 /nfs/dbraw/zinc/30/69/99/572306999.db2.gz BGLASEWLBRRXKC-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(CNc3cccc(Cn4cc[nH+]c4)c3)cc1OC2(C)C ZINC000257212820 572307456 /nfs/dbraw/zinc/30/74/56/572307456.db2.gz CFCBBZIIYSIIAN-MWYIXNDJSA-N 1 2 523.677 7.150 40 0 KKABLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)c3cccc(F)c3)C4)n2)cc1 ZINC000257245563 572310586 /nfs/dbraw/zinc/31/05/86/572310586.db2.gz IQCSCYKVKLYHBX-UHFFFAOYSA-N 1 2 570.756 5.542 40 0 KKABLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)c2cccc(F)c2)C3)nc1-c1ccccc1 ZINC000257268931 572312827 /nfs/dbraw/zinc/31/28/27/572312827.db2.gz MNVXVXDUCCESCK-UHFFFAOYSA-N 1 2 570.756 5.542 40 0 KKABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC4(CC3)CN(S(=O)(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)CO4)sc2c1 ZINC000257291696 572315021 /nfs/dbraw/zinc/31/50/21/572315021.db2.gz QIEZVQRPKWHMHA-AREMUKBSSA-N 1 2 634.824 5.109 40 0 KKABLO CC(C)=CCOc1cc2c(cc1CN(CCC[NH+]1CCOCC1)Cc1cccc(Cl)c1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 ZINC000257293288 572315183 /nfs/dbraw/zinc/31/51/83/572315183.db2.gz QOWSXUKUOXZVKU-VEQLFVSISA-N 1 2 597.240 7.437 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2c(Cl)cccc2Cl)C1 ZINC000257325273 572318336 /nfs/dbraw/zinc/31/83/36/572318336.db2.gz WSFDYERNPGRFNM-VSGBNLITSA-N 1 2 538.475 5.901 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](CCc2c[nH]c3ccccc23)Cc2c(Cl)cccc2Cl)C1 ZINC000257325273 572318337 /nfs/dbraw/zinc/31/83/37/572318337.db2.gz WSFDYERNPGRFNM-VSGBNLITSA-N 1 2 538.475 5.901 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4cccc5ccccc54)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257333807 572319164 /nfs/dbraw/zinc/31/91/64/572319164.db2.gz YDDFQOAIGDWXOK-DODOAAEWSA-N 1 2 583.754 5.254 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4cccc5ccccc54)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257333807 572319165 /nfs/dbraw/zinc/31/91/65/572319165.db2.gz YDDFQOAIGDWXOK-DODOAAEWSA-N 1 2 583.754 5.254 40 0 KKABLO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(c5ccccc5OC)CC4)cc3)cc2)c1 ZINC000408921767 1070229677 /nfs/dbraw/zinc/22/96/77/1070229677.db2.gz WXAXKSPTRRASQU-UHFFFAOYSA-N 1 2 616.740 5.088 40 0 KKABLO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(Cc5ccccc5)CC4)cc3)cc2)cc1C ZINC000408926486 1070239030 /nfs/dbraw/zinc/23/90/30/1070239030.db2.gz YEZCFTKZQJKXBH-UHFFFAOYSA-N 1 2 568.743 5.674 40 0 KKABLO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000408925985 1071075323 /nfs/dbraw/zinc/07/53/23/1071075323.db2.gz VWYYKSHYSIDOPY-UHFFFAOYSA-N 1 2 570.715 5.379 40 0 KKABLO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(Cc5ccccc5)CC4)cc3)cc2)c1 ZINC000408920994 1071097890 /nfs/dbraw/zinc/09/78/90/1071097890.db2.gz QLULLUYGIHVYBN-UHFFFAOYSA-N 1 2 554.716 5.366 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccs3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370278 1071307123 /nfs/dbraw/zinc/30/71/23/1071307123.db2.gz JZSUNOCFUSEVEY-NGTMZHBCSA-N 1 2 560.675 6.517 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccs3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370278 1071307138 /nfs/dbraw/zinc/30/71/38/1071307138.db2.gz JZSUNOCFUSEVEY-NGTMZHBCSA-N 1 2 560.675 6.517 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000225596362 1071312276 /nfs/dbraw/zinc/31/22/76/1071312276.db2.gz JZWBWRDDIYVTHR-NSOVKSMOSA-N 1 2 528.657 5.079 40 0 KKABLO C=C1[NH+]=C(SCc2ccc(Cl)cc2Cl)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408987734 1071610788 /nfs/dbraw/zinc/61/07/88/1071610788.db2.gz GLJFMPDKWGYQHI-IBGZPJMESA-N 1 2 504.266 7.071 40 0 KKABLO Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000408749082 1071688360 /nfs/dbraw/zinc/68/83/60/1071688360.db2.gz LBDBZJLOMHLHFA-UHFFFAOYSA-N 1 2 573.744 5.284 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccc(OC)cc2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000409333745 1072351597 /nfs/dbraw/zinc/35/15/97/1072351597.db2.gz IYLPMPWFTOPBFD-OAQYLSRUSA-N 1 2 508.427 5.211 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Br)c4)cc3n2)c(C)c1 ZINC000059331869 193895708 /nfs/dbraw/zinc/89/57/08/193895708.db2.gz PLBWYYCJFJLHAU-UHFFFAOYSA-N 1 2 522.447 5.907 40 0 KKABLO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC[NH+]3CCOCC3)c3nc(-c4ccc(Cl)cc4)cs3)cc12 ZINC000000932816 551585129 /nfs/dbraw/zinc/58/51/29/551585129.db2.gz HOWNNAFIGXRSBE-UHFFFAOYSA-N 1 2 578.163 6.541 40 0 KKABLO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC[NH+]3CCOCC3)c3nc(-c4ccc(F)cc4)cs3)cc12 ZINC000000932874 551585207 /nfs/dbraw/zinc/58/52/07/551585207.db2.gz ABUNHYNNOISVCU-UHFFFAOYSA-N 1 2 561.708 6.027 40 0 KKABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001338035 551646353 /nfs/dbraw/zinc/64/63/53/551646353.db2.gz ROHWZBPCHVATTP-RUZDIDTESA-N 1 2 542.665 5.091 40 0 KKABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001338035 551646357 /nfs/dbraw/zinc/64/63/57/551646357.db2.gz ROHWZBPCHVATTP-RUZDIDTESA-N 1 2 542.665 5.091 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374490 551654100 /nfs/dbraw/zinc/65/41/00/551654100.db2.gz QAAHJUWSTAISNV-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374490 551654102 /nfs/dbraw/zinc/65/41/02/551654102.db2.gz QAAHJUWSTAISNV-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374581 551654507 /nfs/dbraw/zinc/65/45/07/551654507.db2.gz UYPXNLXMMYNLCS-MUUNZHRXSA-N 1 2 526.616 5.059 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374581 551654510 /nfs/dbraw/zinc/65/45/10/551654510.db2.gz UYPXNLXMMYNLCS-MUUNZHRXSA-N 1 2 526.616 5.059 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374947 551655596 /nfs/dbraw/zinc/65/55/96/551655596.db2.gz ARMYRWJMOJDVDP-SANMLTNESA-N 1 2 560.605 5.012 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374947 551655597 /nfs/dbraw/zinc/65/55/97/551655597.db2.gz ARMYRWJMOJDVDP-SANMLTNESA-N 1 2 560.605 5.012 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375053 551655998 /nfs/dbraw/zinc/65/59/98/551655998.db2.gz KMDYPQZMGFUNKF-VWLOTQADSA-N 1 2 514.630 5.129 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375053 551656000 /nfs/dbraw/zinc/65/60/00/551656000.db2.gz KMDYPQZMGFUNKF-VWLOTQADSA-N 1 2 514.630 5.129 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375037 551656009 /nfs/dbraw/zinc/65/60/09/551656009.db2.gz ZIXZDGCCBGTMOW-XMMPIXPASA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375037 551656010 /nfs/dbraw/zinc/65/60/10/551656010.db2.gz ZIXZDGCCBGTMOW-XMMPIXPASA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375088 551656251 /nfs/dbraw/zinc/65/62/51/551656251.db2.gz AQZYWJVMVAIDOI-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375088 551656253 /nfs/dbraw/zinc/65/62/53/551656253.db2.gz AQZYWJVMVAIDOI-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375072 551656349 /nfs/dbraw/zinc/65/63/49/551656349.db2.gz UCJJSUCDYASCDD-HHHXNRCGSA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375072 551656353 /nfs/dbraw/zinc/65/63/53/551656353.db2.gz UCJJSUCDYASCDD-HHHXNRCGSA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375182 551656361 /nfs/dbraw/zinc/65/63/61/551656361.db2.gz AQUYQCUQKQHGSJ-MHZLTWQESA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375182 551656363 /nfs/dbraw/zinc/65/63/63/551656363.db2.gz AQUYQCUQKQHGSJ-MHZLTWQESA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375229 551656529 /nfs/dbraw/zinc/65/65/29/551656529.db2.gz IHBOSGINEXRPKK-DEOSSOPVSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375229 551656532 /nfs/dbraw/zinc/65/65/32/551656532.db2.gz IHBOSGINEXRPKK-DEOSSOPVSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375443 551656869 /nfs/dbraw/zinc/65/68/69/551656869.db2.gz OKGKLGSMAXBIGB-MHZLTWQESA-N 1 2 566.662 5.071 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375443 551656871 /nfs/dbraw/zinc/65/68/71/551656871.db2.gz OKGKLGSMAXBIGB-MHZLTWQESA-N 1 2 566.662 5.071 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375396 551656930 /nfs/dbraw/zinc/65/69/30/551656930.db2.gz BZAPFZDKIUTNKO-MHZLTWQESA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375396 551656931 /nfs/dbraw/zinc/65/69/31/551656931.db2.gz BZAPFZDKIUTNKO-MHZLTWQESA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375444 551656952 /nfs/dbraw/zinc/65/69/52/551656952.db2.gz OKGKLGSMAXBIGB-HHHXNRCGSA-N 1 2 566.662 5.071 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375444 551656955 /nfs/dbraw/zinc/65/69/55/551656955.db2.gz OKGKLGSMAXBIGB-HHHXNRCGSA-N 1 2 566.662 5.071 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000001375862 551657863 /nfs/dbraw/zinc/65/78/63/551657863.db2.gz YJJKDWKINVWWQK-MHZLTWQESA-N 1 2 544.681 5.185 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000001375862 551657865 /nfs/dbraw/zinc/65/78/65/551657865.db2.gz YJJKDWKINVWWQK-MHZLTWQESA-N 1 2 544.681 5.185 40 0 KKABLO C[C@@H](c1nnc(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1-c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000002726072 552167104 /nfs/dbraw/zinc/16/71/04/552167104.db2.gz OZPSCVUMVOGSGY-JNMBUGSCSA-N 1 2 516.155 5.987 40 0 KKABLO CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460360 552502544 /nfs/dbraw/zinc/50/25/44/552502544.db2.gz YZYMLQGNRSZFFE-KVXGTOJUSA-N 1 2 626.710 5.571 40 0 KKABLO CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460360 552502545 /nfs/dbraw/zinc/50/25/45/552502545.db2.gz YZYMLQGNRSZFFE-KVXGTOJUSA-N 1 2 626.710 5.571 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149460 552550511 /nfs/dbraw/zinc/55/05/11/552550511.db2.gz IFCIVEBTISUXTM-MHZLTWQESA-N 1 2 542.709 5.564 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149460 552550513 /nfs/dbraw/zinc/55/05/13/552550513.db2.gz IFCIVEBTISUXTM-MHZLTWQESA-N 1 2 542.709 5.564 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006282658 552577723 /nfs/dbraw/zinc/57/77/23/552577723.db2.gz KBTJHZWHVVVOHT-SSEXGKCCSA-N 1 2 534.664 5.473 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006282658 552577724 /nfs/dbraw/zinc/57/77/24/552577724.db2.gz KBTJHZWHVVVOHT-SSEXGKCCSA-N 1 2 534.664 5.473 40 0 KKABLO Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006301744 552580695 /nfs/dbraw/zinc/58/06/95/552580695.db2.gz LJMRAQSCAVEYGO-PMERELPUSA-N 1 2 518.665 5.224 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321132 552581084 /nfs/dbraw/zinc/58/10/84/552581084.db2.gz VUCVBJXEAORNSA-PMERELPUSA-N 1 2 536.655 5.363 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006322211 552581514 /nfs/dbraw/zinc/58/15/14/552581514.db2.gz YCCBYBKDVODEJG-PMERELPUSA-N 1 2 518.665 5.224 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006405587 552582269 /nfs/dbraw/zinc/58/22/69/552582269.db2.gz NBHUCZSEIPQUTQ-GDLZYMKVSA-N 1 2 510.686 5.681 40 0 KKABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1ccccc1)OCO3 ZINC000006446415 552589068 /nfs/dbraw/zinc/58/90/68/552589068.db2.gz DVYGFTZRACQXLK-SSEXGKCCSA-N 1 2 548.647 5.193 40 0 KKABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1ccccc1)OCO3 ZINC000006446415 552589069 /nfs/dbraw/zinc/58/90/69/552589069.db2.gz DVYGFTZRACQXLK-SSEXGKCCSA-N 1 2 548.647 5.193 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3n2)c(C)c1 ZINC000008900469 553181357 /nfs/dbraw/zinc/18/13/57/553181357.db2.gz ZXSPFKOEXIHJMU-XYOKQWHBSA-N 1 2 508.453 6.842 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000008900484 553181591 /nfs/dbraw/zinc/18/15/91/553181591.db2.gz UDYFRDSMBHBLBN-UHFFFAOYSA-N 1 2 506.050 6.333 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494811 553460642 /nfs/dbraw/zinc/46/06/42/553460642.db2.gz UNOPAKRNPVKYHD-GDLZYMKVSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494811 553460644 /nfs/dbraw/zinc/46/06/44/553460644.db2.gz UNOPAKRNPVKYHD-GDLZYMKVSA-N 1 2 506.654 5.528 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494851 553460670 /nfs/dbraw/zinc/46/06/70/553460670.db2.gz UBKGTFVXSBHIGK-NDEPHWFRSA-N 1 2 514.674 5.880 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494851 553460671 /nfs/dbraw/zinc/46/06/71/553460671.db2.gz UBKGTFVXSBHIGK-NDEPHWFRSA-N 1 2 514.674 5.880 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494978 553461011 /nfs/dbraw/zinc/46/10/11/553461011.db2.gz NIPHOWWVPATPRW-MHZLTWQESA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494978 553461013 /nfs/dbraw/zinc/46/10/13/553461013.db2.gz NIPHOWWVPATPRW-MHZLTWQESA-N 1 2 510.617 5.358 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495055 553461260 /nfs/dbraw/zinc/46/12/60/553461260.db2.gz VJRFAMSSUMCVPG-RUZDIDTESA-N 1 2 506.626 5.351 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495055 553461262 /nfs/dbraw/zinc/46/12/62/553461262.db2.gz VJRFAMSSUMCVPG-RUZDIDTESA-N 1 2 506.626 5.351 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495108 553461305 /nfs/dbraw/zinc/46/13/05/553461305.db2.gz HPXKKBWLOAMDPE-AREMUKBSSA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495108 553461306 /nfs/dbraw/zinc/46/13/06/553461306.db2.gz HPXKKBWLOAMDPE-AREMUKBSSA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495087 553461342 /nfs/dbraw/zinc/46/13/42/553461342.db2.gz NBAXXWDOIMKSNI-DEOSSOPVSA-N 1 2 518.593 5.041 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495087 553461343 /nfs/dbraw/zinc/46/13/43/553461343.db2.gz NBAXXWDOIMKSNI-DEOSSOPVSA-N 1 2 518.593 5.041 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495165 553461584 /nfs/dbraw/zinc/46/15/84/553461584.db2.gz DKMJAKBELZXTRD-LJAQVGFWSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495165 553461586 /nfs/dbraw/zinc/46/15/86/553461586.db2.gz DKMJAKBELZXTRD-LJAQVGFWSA-N 1 2 522.653 5.228 40 0 KKABLO COc1ccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498768 553464756 /nfs/dbraw/zinc/46/47/56/553464756.db2.gz ZBNMQVCOLBVLJC-MHZLTWQESA-N 1 2 528.682 5.227 40 0 KKABLO COc1ccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498768 553464759 /nfs/dbraw/zinc/46/47/59/553464759.db2.gz ZBNMQVCOLBVLJC-MHZLTWQESA-N 1 2 528.682 5.227 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500841 553466204 /nfs/dbraw/zinc/46/62/04/553466204.db2.gz GXIWSHKGZDNESP-SANMLTNESA-N 1 2 512.614 5.017 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500841 553466207 /nfs/dbraw/zinc/46/62/07/553466207.db2.gz GXIWSHKGZDNESP-SANMLTNESA-N 1 2 512.614 5.017 40 0 KKABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 ZINC000013565797 553473407 /nfs/dbraw/zinc/47/34/07/553473407.db2.gz HNSCNFXKPSAMNL-UHFFFAOYSA-N 1 2 514.695 5.585 40 0 KKABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 ZINC000013565797 553473410 /nfs/dbraw/zinc/47/34/10/553473410.db2.gz HNSCNFXKPSAMNL-UHFFFAOYSA-N 1 2 514.695 5.585 40 0 KKABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 ZINC000013565796 553473439 /nfs/dbraw/zinc/47/34/39/553473439.db2.gz BTDGBJRJAXYXGD-UHFFFAOYSA-N 1 2 500.668 5.276 40 0 KKABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 ZINC000013565796 553473441 /nfs/dbraw/zinc/47/34/41/553473441.db2.gz BTDGBJRJAXYXGD-UHFFFAOYSA-N 1 2 500.668 5.276 40 0 KKABLO O=C(c1cc(-c2ccccc2)oc1-c1ccccc1)[C@@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019366008 553614179 /nfs/dbraw/zinc/61/41/79/553614179.db2.gz JTEKZAXKTZZNNV-IOWSJCHKSA-N 1 2 522.645 5.571 40 0 KKABLO Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c(C)n2)s1 ZINC000072130509 553642074 /nfs/dbraw/zinc/64/20/74/553642074.db2.gz CJIZAWDYZXXVSM-UHFFFAOYSA-N 1 2 544.081 5.256 40 0 in-vitro KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941325 553643408 /nfs/dbraw/zinc/64/34/08/553643408.db2.gz JXHUGABEXOUJRK-SSEXGKCCSA-N 1 2 518.665 5.772 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941325 553643411 /nfs/dbraw/zinc/64/34/11/553643411.db2.gz JXHUGABEXOUJRK-SSEXGKCCSA-N 1 2 518.665 5.772 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941393 553643888 /nfs/dbraw/zinc/64/38/88/553643888.db2.gz ZUPAXHZNRBDAAC-WJOKGBTCSA-N 1 2 532.692 6.026 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941393 553643890 /nfs/dbraw/zinc/64/38/90/553643890.db2.gz ZUPAXHZNRBDAAC-WJOKGBTCSA-N 1 2 532.692 6.026 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941394 553643918 /nfs/dbraw/zinc/64/39/18/553643918.db2.gz ZUPAXHZNRBDAAC-HKBQPEDESA-N 1 2 532.692 6.026 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941394 553643920 /nfs/dbraw/zinc/64/39/20/553643920.db2.gz ZUPAXHZNRBDAAC-HKBQPEDESA-N 1 2 532.692 6.026 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082102 553681003 /nfs/dbraw/zinc/68/10/03/553681003.db2.gz MHGPRTJUXIEFTI-MUUNZHRXSA-N 1 2 506.654 5.412 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082102 553681006 /nfs/dbraw/zinc/68/10/06/553681006.db2.gz MHGPRTJUXIEFTI-MUUNZHRXSA-N 1 2 506.654 5.412 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000020082925 553682912 /nfs/dbraw/zinc/68/29/12/553682912.db2.gz GQMUWHHMAIJSEM-MUUNZHRXSA-N 1 2 524.694 5.834 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000020082925 553682916 /nfs/dbraw/zinc/68/29/16/553682916.db2.gz GQMUWHHMAIJSEM-MUUNZHRXSA-N 1 2 524.694 5.834 40 0 KKABLO Cc1ccc([C@H](CC(=O)c2ccccc2)N2CC[NH+]([C@@H](CC(=O)c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000022584758 553747482 /nfs/dbraw/zinc/74/74/82/553747482.db2.gz WBOZSTZDMYHSEE-HEVIKAOCSA-N 1 2 530.712 7.249 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Br)c4)cc3n2)cc1 ZINC000022832540 553755830 /nfs/dbraw/zinc/75/58/30/553755830.db2.gz XHKWSWHHQDVQSG-UHFFFAOYSA-N 1 2 508.420 5.599 40 0 KKABLO Cc1cccc2c1NC(=O)[C@]21[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000097955170 553829539 /nfs/dbraw/zinc/82/95/39/553829539.db2.gz JRJCDJXJYQTVKJ-NUVJPRFLSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1cccc2c1NC(=O)[C@]21[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000097955170 553829541 /nfs/dbraw/zinc/82/95/41/553829541.db2.gz JRJCDJXJYQTVKJ-NUVJPRFLSA-N 1 2 532.427 5.316 40 0 KKABLO CCCCc1[nH+]c2ccccc2n1CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000097979022 553975803 /nfs/dbraw/zinc/97/58/03/553975803.db2.gz YVQOYMBTESRJIB-BQFRPDJFSA-N 1 2 538.642 7.480 40 0 KKABLO CCCCc1[nH+]c2ccccc2n1CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000097979023 553975829 /nfs/dbraw/zinc/97/58/29/553975829.db2.gz YVQOYMBTESRJIB-JFEDFPRJSA-N 1 2 538.642 7.480 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100374353 554358805 /nfs/dbraw/zinc/35/88/05/554358805.db2.gz CDRICBWPYORXNU-LJAQVGFWSA-N 1 2 538.652 5.124 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100374353 554358806 /nfs/dbraw/zinc/35/88/06/554358806.db2.gz CDRICBWPYORXNU-LJAQVGFWSA-N 1 2 538.652 5.124 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100374843 554359165 /nfs/dbraw/zinc/35/91/65/554359165.db2.gz HYKXPAJEEOYUNU-NDEPHWFRSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100374843 554359168 /nfs/dbraw/zinc/35/91/68/554359168.db2.gz HYKXPAJEEOYUNU-NDEPHWFRSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640830 554361013 /nfs/dbraw/zinc/36/10/13/554361013.db2.gz SVSHJTVXGAPGHS-NDEPHWFRSA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640830 554361018 /nfs/dbraw/zinc/36/10/18/554361018.db2.gz SVSHJTVXGAPGHS-NDEPHWFRSA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641948 554363005 /nfs/dbraw/zinc/36/30/05/554363005.db2.gz JMPXXDQLJOSCSG-LJAQVGFWSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641948 554363007 /nfs/dbraw/zinc/36/30/07/554363007.db2.gz JMPXXDQLJOSCSG-LJAQVGFWSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641902 554363105 /nfs/dbraw/zinc/36/31/05/554363105.db2.gz BAYBZGKMHOBLMN-SSEXGKCCSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641885 554363123 /nfs/dbraw/zinc/36/31/23/554363123.db2.gz TUVCQNBHNHNJQS-GDLZYMKVSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641902 554363108 /nfs/dbraw/zinc/36/31/08/554363108.db2.gz BAYBZGKMHOBLMN-SSEXGKCCSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641885 554363128 /nfs/dbraw/zinc/36/31/28/554363128.db2.gz TUVCQNBHNHNJQS-GDLZYMKVSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642192 554363601 /nfs/dbraw/zinc/36/36/01/554363601.db2.gz TYUFVOIDTUEIAO-SANMLTNESA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642192 554363606 /nfs/dbraw/zinc/36/36/06/554363606.db2.gz TYUFVOIDTUEIAO-SANMLTNESA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642122 554363651 /nfs/dbraw/zinc/36/36/51/554363651.db2.gz SZEQGVDQFBLFAR-NDEPHWFRSA-N 1 2 524.644 5.667 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642122 554363654 /nfs/dbraw/zinc/36/36/54/554363654.db2.gz SZEQGVDQFBLFAR-NDEPHWFRSA-N 1 2 524.644 5.667 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389349 554366034 /nfs/dbraw/zinc/36/60/34/554366034.db2.gz WJGGAMIITPKJHH-XMMPIXPASA-N 1 2 558.639 5.021 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389349 554366040 /nfs/dbraw/zinc/36/60/40/554366040.db2.gz WJGGAMIITPKJHH-XMMPIXPASA-N 1 2 558.639 5.021 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(C)c4OC)cc3n2)c(C)c1 ZINC000059331626 554390013 /nfs/dbraw/zinc/39/00/13/554390013.db2.gz WUQSJYCWBOMIHV-UHFFFAOYSA-N 1 2 516.671 5.327 40 0 KKABLO CCCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000059331614 554390028 /nfs/dbraw/zinc/39/00/28/554390028.db2.gz GKTGSRYZOHKHRN-UHFFFAOYSA-N 1 2 530.698 5.799 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)c(C)c1 ZINC000059331875 554391983 /nfs/dbraw/zinc/39/19/83/554391983.db2.gz MJAUXEIWEBEKBV-SFHVURJKSA-N 1 2 526.468 6.596 40 0 KKABLO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Br)cc3Cl)o2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000100451450 554395697 /nfs/dbraw/zinc/39/56/97/554395697.db2.gz FIWCQJXKDASXOK-LFVJCYFKSA-N 1 2 567.871 5.845 40 0 KKABLO CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2C(N)=O)cc1 ZINC000067665426 554533562 /nfs/dbraw/zinc/53/35/62/554533562.db2.gz YAIWQMXHIQDCFT-UHFFFAOYSA-N 1 2 513.645 6.665 40 0 in-vitro KKABLO CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2C(=O)OCC)cc1 ZINC000067665428 554533741 /nfs/dbraw/zinc/53/37/41/554533741.db2.gz IQZKRFACHJBIOC-UHFFFAOYSA-N 1 2 542.683 7.743 40 0 in-vitro KKABLO O=C(c1ccccc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000101064336 554571104 /nfs/dbraw/zinc/57/11/04/554571104.db2.gz BNLNAGUUOSJUPJ-DZDVJMQSSA-N 1 2 609.907 7.084 40 0 KKABLO O=C(c1ccccc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000101064336 554571106 /nfs/dbraw/zinc/57/11/06/554571106.db2.gz BNLNAGUUOSJUPJ-DZDVJMQSSA-N 1 2 609.907 7.084 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000101104227 554639687 /nfs/dbraw/zinc/63/96/87/554639687.db2.gz DCQZWIQNJSXJFW-NEWJYFPISA-N 1 2 582.376 5.622 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000101104227 554639689 /nfs/dbraw/zinc/63/96/89/554639689.db2.gz DCQZWIQNJSXJFW-NEWJYFPISA-N 1 2 582.376 5.622 40 0 KKABLO [NH3+]C1=C(c2nc3ccccc3s2)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Cc2nc3ccccc3n21 ZINC000101459682 554777986 /nfs/dbraw/zinc/77/79/86/554777986.db2.gz QRWCYHAMIVVSCV-GOSISDBHSA-N 1 2 528.559 7.773 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000102410443 554923271 /nfs/dbraw/zinc/92/32/71/554923271.db2.gz CSMVTMSJSPXXCQ-BNCOHWGESA-N 1 2 553.768 9.623 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000102410443 554923275 /nfs/dbraw/zinc/92/32/75/554923275.db2.gz CSMVTMSJSPXXCQ-BNCOHWGESA-N 1 2 553.768 9.623 40 0 KKABLO Cc1cccc2c1NC(=O)[C@]21[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000102765329 555054728 /nfs/dbraw/zinc/05/47/28/555054728.db2.gz JRJCDJXJYQTVKJ-LKFSIGMXSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1cccc2c1NC(=O)[C@]21[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000102765329 555054730 /nfs/dbraw/zinc/05/47/30/555054730.db2.gz JRJCDJXJYQTVKJ-LKFSIGMXSA-N 1 2 532.427 5.316 40 0 KKABLO COC(=O)C1CC[NH+](CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@H]3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000102968504 555180926 /nfs/dbraw/zinc/18/09/26/555180926.db2.gz JIOMKYCHPCDJIQ-HGPKEENOSA-N 1 2 540.491 6.001 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103519320 555424934 /nfs/dbraw/zinc/42/49/34/555424934.db2.gz YDZOTJGZNGXXPI-GYEXEWKGSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103519320 555424936 /nfs/dbraw/zinc/42/49/36/555424936.db2.gz YDZOTJGZNGXXPI-GYEXEWKGSA-N 1 2 591.063 6.339 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103521268 555426577 /nfs/dbraw/zinc/42/65/77/555426577.db2.gz IDLQFZFUMPFHQZ-NGTMZHBCSA-N 1 2 595.482 6.984 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103521268 555426578 /nfs/dbraw/zinc/42/65/78/555426578.db2.gz IDLQFZFUMPFHQZ-NGTMZHBCSA-N 1 2 595.482 6.984 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(OC(C)=O)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103522331 555426964 /nfs/dbraw/zinc/42/69/64/555426964.db2.gz ZAFCZRLDWUVGHW-CYPQMOBWSA-N 1 2 598.655 5.992 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(OC(C)=O)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103522331 555426967 /nfs/dbraw/zinc/42/69/67/555426967.db2.gz ZAFCZRLDWUVGHW-CYPQMOBWSA-N 1 2 598.655 5.992 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103521772 555426990 /nfs/dbraw/zinc/42/69/90/555426990.db2.gz AVMJEHWRTVYLQJ-XWSGIVAFSA-N 1 2 570.645 5.994 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103521772 555426992 /nfs/dbraw/zinc/42/69/92/555426992.db2.gz AVMJEHWRTVYLQJ-XWSGIVAFSA-N 1 2 570.645 5.994 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103529567 555429932 /nfs/dbraw/zinc/42/99/32/555429932.db2.gz MCLUGWMIYDFSRB-NIKYWZLZSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103529567 555429936 /nfs/dbraw/zinc/42/99/36/555429936.db2.gz MCLUGWMIYDFSRB-NIKYWZLZSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c1 ZINC000103529821 555430402 /nfs/dbraw/zinc/43/04/02/555430402.db2.gz TXVNHDUTJPUEOX-YCHSVXFSSA-N 1 2 595.482 6.984 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c1 ZINC000103529821 555430404 /nfs/dbraw/zinc/43/04/04/555430404.db2.gz TXVNHDUTJPUEOX-YCHSVXFSSA-N 1 2 595.482 6.984 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103560716 555448968 /nfs/dbraw/zinc/44/89/68/555448968.db2.gz XHQKDOQCUSFTIT-MIPYOGIXSA-N 1 2 595.482 6.842 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103560716 555448972 /nfs/dbraw/zinc/44/89/72/555448972.db2.gz XHQKDOQCUSFTIT-MIPYOGIXSA-N 1 2 595.482 6.842 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCc4ccc(Br)cc4)sc3c2)CC1 ZINC000103775742 555475718 /nfs/dbraw/zinc/47/57/18/555475718.db2.gz FSTOJJBJHRHNNW-UHFFFAOYSA-N 1 2 581.561 5.991 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288036 571361556 /nfs/dbraw/zinc/36/15/56/571361556.db2.gz QYTFWAQAXDFUST-LRXFEKEMSA-N 1 2 623.536 7.764 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288036 571361557 /nfs/dbraw/zinc/36/15/57/571361557.db2.gz QYTFWAQAXDFUST-LRXFEKEMSA-N 1 2 623.536 7.764 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288023 571361588 /nfs/dbraw/zinc/36/15/88/571361588.db2.gz GCVAVYPQFCUTGS-YUIGLEDNSA-N 1 2 584.672 6.466 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288023 571361589 /nfs/dbraw/zinc/36/15/89/571361589.db2.gz GCVAVYPQFCUTGS-YUIGLEDNSA-N 1 2 584.672 6.466 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccn3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1OC ZINC000103529016 571361702 /nfs/dbraw/zinc/36/17/02/571361702.db2.gz SUJODGZTLOJDDP-NGTMZHBCSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccn3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1OC ZINC000103529016 571361703 /nfs/dbraw/zinc/36/17/03/571361703.db2.gz SUJODGZTLOJDDP-NGTMZHBCSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000104105236 571374018 /nfs/dbraw/zinc/37/40/18/571374018.db2.gz XTCJKEOGQONHSE-ACZXLBTNSA-N 1 2 556.618 5.686 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000104105236 571374019 /nfs/dbraw/zinc/37/40/19/571374019.db2.gz XTCJKEOGQONHSE-ACZXLBTNSA-N 1 2 556.618 5.686 40 0 KKABLO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104132851 571374545 /nfs/dbraw/zinc/37/45/45/571374545.db2.gz BOKJXXZRQBPMRC-KHLUAOTOSA-N 1 2 558.565 5.536 40 0 KKABLO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104132851 571374547 /nfs/dbraw/zinc/37/45/47/571374547.db2.gz BOKJXXZRQBPMRC-KHLUAOTOSA-N 1 2 558.565 5.536 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 ZINC000104329698 571379205 /nfs/dbraw/zinc/37/92/05/571379205.db2.gz WXZCNRMZBQIYOJ-JQIJEIRASA-N 1 2 540.067 7.449 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(Br)cc4Br)cc3n2)cc1 ZINC000104329726 571379240 /nfs/dbraw/zinc/37/92/40/571379240.db2.gz JKGYDGFVBWMNPW-UHFFFAOYSA-N 1 2 601.343 6.426 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(Br)cc5)o4)cc3n2)c(C)c1 ZINC000104329802 571379248 /nfs/dbraw/zinc/37/92/48/571379248.db2.gz KIYLEGWZLSAJTA-DTQAZKPQSA-N 1 2 584.518 7.558 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Br)cc(C)c4OC)cc3n2)c(C)c1 ZINC000104329750 571379252 /nfs/dbraw/zinc/37/92/52/571379252.db2.gz HNSMKFIEZFHUOZ-UHFFFAOYSA-N 1 2 536.474 6.215 40 0 KKABLO Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5Cl)CC4)c(Cl)c3)o2)cc1Cl ZINC000104490298 571381223 /nfs/dbraw/zinc/38/12/23/571381223.db2.gz OEWRDXYADYGNDQ-JLHYYAGUSA-N 1 2 580.943 8.189 40 0 KKABLO CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)c1 ZINC000105025969 571389755 /nfs/dbraw/zinc/38/97/55/571389755.db2.gz YEMOUXFNXPBTSZ-UHFFFAOYSA-N 1 2 546.697 5.499 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cc(Br)ccc4OC)cc3n2)cc1 ZINC000105025900 571389785 /nfs/dbraw/zinc/38/97/85/571389785.db2.gz QHOPOKBBMILQQE-VGOFMYFVSA-N 1 2 534.458 5.998 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3n2)cc1 ZINC000105313888 571398108 /nfs/dbraw/zinc/39/81/08/571398108.db2.gz FXQPJWAIOSBLJN-NTCAYCPXSA-N 1 2 619.578 7.668 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3n2)cc1 ZINC000105313848 571398136 /nfs/dbraw/zinc/39/81/36/571398136.db2.gz DLSKDYBWWNTDPP-UHFFFAOYSA-N 1 2 603.546 6.724 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3n2)cc1 ZINC000105313896 571398157 /nfs/dbraw/zinc/39/81/57/571398157.db2.gz YBQFKNDNAVVUPJ-UHFFFAOYSA-N 1 2 583.570 7.223 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3n2)c(C)c1 ZINC000105314162 571398250 /nfs/dbraw/zinc/39/82/50/571398250.db2.gz WUIVPWNNOVGHCZ-UHFFFAOYSA-N 1 2 571.534 6.326 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3n2)c(C)c1 ZINC000105314116 571398268 /nfs/dbraw/zinc/39/82/68/571398268.db2.gz RSSZBSMTKBGOKG-UHFFFAOYSA-N 1 2 617.573 7.033 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)cc3n2)c(C)c1 ZINC000105314190 571398378 /nfs/dbraw/zinc/39/83/78/571398378.db2.gz OIUFCHBABLCHAU-UHFFFAOYSA-N 1 2 557.123 6.817 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)cc1 ZINC000105320839 571402280 /nfs/dbraw/zinc/40/22/80/571402280.db2.gz QPTJPINJWUGTIV-UHFFFAOYSA-N 1 2 534.447 7.394 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(I)ccc4Cl)cc3n2)c(C)c1 ZINC000105320947 571402295 /nfs/dbraw/zinc/40/22/95/571402295.db2.gz RJQFTMKUJYYZPA-UHFFFAOYSA-N 1 2 573.866 6.394 40 0 KKABLO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000105322622 571403093 /nfs/dbraw/zinc/40/30/93/571403093.db2.gz FRBVEBXPSKIZNR-UHFFFAOYSA-N 1 2 532.899 6.765 40 0 KKABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2Cl)c1 ZINC000109740251 571429999 /nfs/dbraw/zinc/42/99/99/571429999.db2.gz FUBZHVRTQGBADM-UHFFFAOYSA-N 1 2 574.146 6.305 40 0 KKABLO O=C([O-])[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150364317 571464402 /nfs/dbraw/zinc/46/44/02/571464402.db2.gz FFVVHORODDZQPF-RWYGWLOXSA-N 1 2 639.799 8.301 40 0 KKABLO O=C(Nc1ccc(Cc2ccc(NC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000150375320 571466413 /nfs/dbraw/zinc/46/64/13/571466413.db2.gz FWWUABREWFUWAL-UHFFFAOYSA-N 1 2 690.801 5.434 40 0 KKABLO COC(=O)[C@@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000150382742 571467440 /nfs/dbraw/zinc/46/74/40/571467440.db2.gz RFJHGXWOZIXSHT-QAZBPYKKSA-N 1 2 718.963 8.976 40 0 KKABLO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(CCC)cc4)c(C(F)(F)F)oc3c2C[NH+]2CCCCC2)cc1 ZINC000150388798 571471136 /nfs/dbraw/zinc/47/11/36/571471136.db2.gz NDECTXLZPZEAQP-UHFFFAOYSA-N 1 2 665.749 9.721 40 0 KKABLO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000216520961 571597343 /nfs/dbraw/zinc/59/73/43/571597343.db2.gz MNBSFFZQNDCXTB-MDWZMJQESA-N 1 2 595.765 5.627 40 0 KKABLO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000216525429 571597631 /nfs/dbraw/zinc/59/76/31/571597631.db2.gz UQJUZEQYTIAQRH-UHFFFAOYSA-N 1 2 648.181 5.496 40 0 KKABLO Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224678776 571601718 /nfs/dbraw/zinc/60/17/18/571601718.db2.gz PLKKAQDQXOKFJZ-ZWXJPIIXSA-N 1 2 545.712 7.216 40 0 KKABLO COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000224062375 571605017 /nfs/dbraw/zinc/60/50/17/571605017.db2.gz PLLKOHVTCJRYBT-IZLXSDGUSA-N 1 2 548.112 5.794 40 0 KKABLO Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NC(=O)C(C)C ZINC000224101124 571610060 /nfs/dbraw/zinc/61/00/60/571610060.db2.gz LAZIQBOHJNEDBR-FQLXRVMXSA-N 1 2 538.721 6.018 40 0 KKABLO COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2)cc1 ZINC000224747543 571613434 /nfs/dbraw/zinc/61/34/34/571613434.db2.gz FXUBMYMMAIWNBL-ZWXJPIIXSA-N 1 2 561.711 6.916 40 0 KKABLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000225249134 571662432 /nfs/dbraw/zinc/66/24/32/571662432.db2.gz VMBKKDHCDTXBBQ-NSOVKSMOSA-N 1 2 561.111 5.354 40 0 KKABLO C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)C1 ZINC000260917952 571851475 /nfs/dbraw/zinc/85/14/75/571851475.db2.gz KESUTXMNAMQZNF-AVGNIWADSA-N 1 2 585.221 7.251 40 0 KKABLO Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225576040 571935933 /nfs/dbraw/zinc/93/59/33/571935933.db2.gz BRMKDVPFVUHUCB-FQLXRVMXSA-N 1 2 524.694 5.248 40 0 KKABLO Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000225634226 571985885 /nfs/dbraw/zinc/98/58/85/571985885.db2.gz BKFXIEMPTTVFGL-IHLOFXLRSA-N 1 2 538.721 5.556 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OCc2ccccc2)c(Br)c1 ZINC000261362644 572104288 /nfs/dbraw/zinc/10/42/88/572104288.db2.gz MOQGZFUSCPMMGP-AREMUKBSSA-O 1 2 564.485 5.504 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000261362731 572104675 /nfs/dbraw/zinc/10/46/75/572104675.db2.gz DXWSEUGTKRRYDW-SSEXGKCCSA-O 1 2 636.592 6.683 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc2c(cc1Br)OCO2 ZINC000261362766 572104755 /nfs/dbraw/zinc/10/47/55/572104755.db2.gz FAVQPFXHNSNKBU-XMMPIXPASA-O 1 2 558.478 5.214 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000261363395 572105000 /nfs/dbraw/zinc/10/50/00/572105000.db2.gz HCTFJMLOCPGKAC-MUUNZHRXSA-O 1 2 560.030 6.395 40 0 KKABLO O=c1[nH]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@@H]2c1cc(O)ccc1Br ZINC000261363567 572105309 /nfs/dbraw/zinc/10/53/09/572105309.db2.gz HOITWZGSNVGNJT-NRFANRHFSA-O 1 2 528.839 5.523 40 0 KKABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc(Br)c1O ZINC000261363704 572105791 /nfs/dbraw/zinc/10/57/91/572105791.db2.gz HSRPJDITQSQNAJ-JOCHJYFZSA-O 1 2 558.865 5.532 40 0 KKABLO CCOc1cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)ccc1OC(C)=O ZINC000261364661 572106961 /nfs/dbraw/zinc/10/69/61/572106961.db2.gz MTRHUXRLWXCBGJ-NDEPHWFRSA-O 1 2 578.070 5.320 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000261365173 572107272 /nfs/dbraw/zinc/10/72/72/572107272.db2.gz QOTNZMIPMNLXBS-OAQYLSRUSA-O 1 2 510.441 5.154 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cc(Br)c(O)c(OCC)c1 ZINC000261365642 572107809 /nfs/dbraw/zinc/10/78/09/572107809.db2.gz UJMIPBDGZVKDBX-HXUWFJFHSA-O 1 2 583.326 5.631 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000261365644 572107926 /nfs/dbraw/zinc/10/79/26/572107926.db2.gz UJQBONMSWSUUQW-SSEXGKCCSA-O 1 2 592.141 6.573 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)c(OC(C)=O)c(OCC)c1 ZINC000261365894 572108400 /nfs/dbraw/zinc/10/84/00/572108400.db2.gz WBLJQNCVSTUIMS-VWLOTQADSA-O 1 2 588.504 5.029 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1cccc2ccccc21 ZINC000261366388 572109039 /nfs/dbraw/zinc/10/90/39/572109039.db2.gz ZJPRRMQBNUCZOT-HSZRJFAPSA-O 1 2 508.421 5.078 40 0 KKABLO OCCCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070252 572151906 /nfs/dbraw/zinc/15/19/06/572151906.db2.gz ZFKWNISJWPOYKI-UHFFFAOYSA-N 1 2 551.285 5.205 40 0 KKABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1ccccc1 ZINC000408553988 572241212 /nfs/dbraw/zinc/24/12/12/572241212.db2.gz ASXQRZDDCMCZQA-UHFFFAOYSA-N 1 2 541.673 5.043 40 0 KKABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccccc2OCc2ccccc2Cl)cc1 ZINC000408557229 572244675 /nfs/dbraw/zinc/24/46/75/572244675.db2.gz NXVRMNZYBVRHSZ-VWLOTQADSA-N 1 2 501.974 5.100 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccccc2OCc2ccccc2Cl)c(OC)cc1Cl ZINC000408557786 572245183 /nfs/dbraw/zinc/24/51/83/572245183.db2.gz PYLCWRWHTDDVIO-AREMUKBSSA-N 1 2 566.445 5.762 40 0 KKABLO O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000408574550 572259705 /nfs/dbraw/zinc/25/97/05/572259705.db2.gz RWJGBSOMEJJMFJ-NTCAYCPXSA-N 1 2 591.564 7.102 40 0 KKABLO O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408595665 572270559 /nfs/dbraw/zinc/27/05/59/572270559.db2.gz SMKBHDSBUJCPND-QPJJXVBHSA-N 1 2 560.503 5.031 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cccc(Cl)c2C)cc1 ZINC000408615976 572278568 /nfs/dbraw/zinc/27/85/68/572278568.db2.gz DMNHYMKZYJMKIM-JXMROGBWSA-N 1 2 538.113 5.010 40 0 KKABLO O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408618027 572279829 /nfs/dbraw/zinc/27/98/29/572279829.db2.gz CDVOXTSAFGDULC-RMKNXTFCSA-N 1 2 602.982 5.151 40 0 KKABLO CCCCOc1ccc(NC(=O)C[NH+]2CCC3(CC2)CN(S(=O)(=O)c2ccc(C)cc2)[C@H](Cc2ccccc2)CO3)cc1 ZINC000257201890 572306600 /nfs/dbraw/zinc/30/66/00/572306600.db2.gz AJNMZQFHVGHTJN-SSEXGKCCSA-N 1 2 605.801 5.279 40 0 KKABLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)c3ccccc3)C4)n2)cc1 ZINC000257220567 572308418 /nfs/dbraw/zinc/30/84/18/572308418.db2.gz DLFZWQHGCCQNIT-UHFFFAOYSA-N 1 2 568.765 5.103 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4cccc5ccccc54)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257233599 572309619 /nfs/dbraw/zinc/30/96/19/572309619.db2.gz GPWZBJGJJNOANN-HVNZXBJASA-N 1 2 549.737 5.057 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4cccc5ccccc54)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257233599 572309621 /nfs/dbraw/zinc/30/96/21/572309621.db2.gz GPWZBJGJJNOANN-HVNZXBJASA-N 1 2 549.737 5.057 40 0 KKABLO CC1(C)Oc2ccc(-c3ccccc3)cc2[C@@H]2O[C@H](CC(=O)N(CCCn3cc[nH+]c3)Cc3ccccc3)CC[C@H]21 ZINC000257240223 572310137 /nfs/dbraw/zinc/31/01/37/572310137.db2.gz HSQJNXJXKHFBLW-VJKSVHRDSA-N 1 2 549.715 7.067 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2cc(Cl)ccc2Cl)C1 ZINC000257259811 572311912 /nfs/dbraw/zinc/31/19/12/572311912.db2.gz LADZGFKGYMZFBD-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2cc(Cl)ccc2Cl)C1 ZINC000257259811 572311913 /nfs/dbraw/zinc/31/19/13/572311913.db2.gz LADZGFKGYMZFBD-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C1)oc1ccccc12 ZINC000257264679 572312439 /nfs/dbraw/zinc/31/24/39/572312439.db2.gz LVPKSGRHJHOKJD-MFMCTBQISA-N 1 2 520.601 5.603 40 0 KKABLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C1)oc1ccccc12 ZINC000257264679 572312440 /nfs/dbraw/zinc/31/24/40/572312440.db2.gz LVPKSGRHJHOKJD-MFMCTBQISA-N 1 2 520.601 5.603 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)c(Cl)c2)Cc2ccccc2Cl)C1 ZINC000257274137 572313266 /nfs/dbraw/zinc/31/32/66/572313266.db2.gz NJSHFOWCGDBDGA-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)c(Cl)c2)Cc2ccccc2Cl)C1 ZINC000257274137 572313267 /nfs/dbraw/zinc/31/32/67/572313267.db2.gz NJSHFOWCGDBDGA-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cc(Cl)cc(Cl)c2)Cc2ccccc2Cl)C1 ZINC000257281457 572313940 /nfs/dbraw/zinc/31/39/40/572313940.db2.gz OPGFFFOBWHXBCI-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cc(Cl)cc(Cl)c2)Cc2ccccc2Cl)C1 ZINC000257281457 572313941 /nfs/dbraw/zinc/31/39/41/572313941.db2.gz OPGFFFOBWHXBCI-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc(C(C)C)cc4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257284798 572314334 /nfs/dbraw/zinc/31/43/34/572314334.db2.gz PEJJZFICTSTAPV-BZKUTMRRSA-N 1 2 575.775 5.224 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc(C(C)C)cc4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257284798 572314335 /nfs/dbraw/zinc/31/43/35/572314335.db2.gz PEJJZFICTSTAPV-BZKUTMRRSA-N 1 2 575.775 5.224 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2ccc(Cl)cc2F)C1 ZINC000257298428 572315636 /nfs/dbraw/zinc/31/56/36/572315636.db2.gz RLOHSXSEBJBTEE-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2ccc(Cl)cc2F)C1 ZINC000257298428 572315637 /nfs/dbraw/zinc/31/56/37/572315637.db2.gz RLOHSXSEBJBTEE-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)c5cccc(Cl)c5)C(C)(C)C4)CC3)n2)cc1 ZINC000257319486 572317875 /nfs/dbraw/zinc/31/78/75/572317875.db2.gz VSUJPHCAXFYWAO-UHFFFAOYSA-N 1 2 589.183 5.366 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2cc(Br)ccc2F)C1 ZINC000257320140 572317953 /nfs/dbraw/zinc/31/79/53/572317953.db2.gz VVNOXIUHSHFAKO-JWQCQUIFSA-N 1 2 547.852 5.626 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2cc(Br)ccc2F)C1 ZINC000257320140 572317954 /nfs/dbraw/zinc/31/79/54/572317954.db2.gz VVNOXIUHSHFAKO-JWQCQUIFSA-N 1 2 547.852 5.626 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC2 ZINC000257336861 572319396 /nfs/dbraw/zinc/31/93/96/572319396.db2.gz YQHZUUXHNMZXMO-UHFFFAOYSA-N 1 2 544.039 5.253 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408920437 1070225901 /nfs/dbraw/zinc/22/59/01/1070225901.db2.gz HPQDPWKPJDJYAK-UHFFFAOYSA-N 1 2 575.134 5.711 40 0 KKABLO CC(C)[C@@H]1C[C@H](c2cccc(Cl)c2)CO[C@H]1c1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000585292455 1071045516 /nfs/dbraw/zinc/04/55/16/1071045516.db2.gz MTQKZVJMYGZPON-HOMRVSDPSA-N 1 2 534.100 5.980 40 0 KKABLO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3)cc2)CC1 ZINC000408924072 1071085091 /nfs/dbraw/zinc/08/50/91/1071085091.db2.gz NLKPTKSZLRXCKZ-UHFFFAOYSA-N 1 2 606.748 6.224 40 0 KKABLO CSc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCCCC1 ZINC000408714594 1071476030 /nfs/dbraw/zinc/47/60/30/1071476030.db2.gz IJLHRVOCDQDOBN-UHFFFAOYSA-N 1 2 549.762 5.131 40 0 KKABLO CSc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000408714604 1071476061 /nfs/dbraw/zinc/47/60/61/1071476061.db2.gz JSZQVOUMBYRKCJ-UHFFFAOYSA-N 1 2 563.789 5.377 40 0 KKABLO COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3c2)cc1OC ZINC000408713645 1071478584 /nfs/dbraw/zinc/47/85/84/1071478584.db2.gz WYCDCRVZHLBGJN-UHFFFAOYSA-N 1 2 641.815 6.291 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2C)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408985169 1071504079 /nfs/dbraw/zinc/50/40/79/1071504079.db2.gz ABERNYOQUIWBPO-QFIPXVFZSA-N 1 2 506.455 5.820 40 0 KKABLO C=C1[NH+]=C(SCc2ccc(Cl)c(Cl)c2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000409337926 1072489309 /nfs/dbraw/zinc/48/93/09/1072489309.db2.gz ZPSGJKNOLFYUIT-LJQANCHMSA-N 1 2 504.266 7.071 40 0 KKABLO CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(N)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000100031657 1072920146 /nfs/dbraw/zinc/92/01/46/1072920146.db2.gz TTYJJHMUWWWXSO-UHFFFAOYSA-N 1 2 571.693 7.109 40 0 KKABLO CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(N)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000100031657 1072920152 /nfs/dbraw/zinc/92/01/52/1072920152.db2.gz TTYJJHMUWWWXSO-UHFFFAOYSA-N 1 2 571.693 7.109 40 0 KKABLO COc1cc([C@H](CC(=O)NCCn2cc[nH+]c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138825 1073181305 /nfs/dbraw/zinc/18/13/05/1073181305.db2.gz SXCBEXMFBMRBJI-NVQXNPDNSA-N 1 2 649.741 5.140 40 0 KKABLO COc1ccc([C@H](CC(=O)NCCCn2cc[nH+]c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547206026 1073190400 /nfs/dbraw/zinc/19/04/00/1073190400.db2.gz HJLDEIQUVYAZEP-FIPFOOKPSA-N 1 2 603.716 5.513 40 0 KKABLO CC(=O)N1CCN(c2ccc(Oc3cc(N4CCN(C(C)=O)CC4)ccc3C[C@H]3CO[C@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC001570003333 1073198183 /nfs/dbraw/zinc/19/81/83/1073198183.db2.gz YMSULVZZXKFFSL-UVNLRBHVSA-N 1 2 733.697 5.830 40 0 KKABLO COc1ccc(OC)c(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(C(C)(C)C)cc3)n2)c1 ZINC000000881188 551556049 /nfs/dbraw/zinc/55/60/49/551556049.db2.gz UOCWRTNMONNMLO-UHFFFAOYSA-N 1 2 523.699 5.494 40 0 KKABLO COc1ccccc1C[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)[C@@H](c1nnnn1Cc1ccc(F)cc1)C(C)C ZINC000001334531 551645318 /nfs/dbraw/zinc/64/53/18/551645318.db2.gz AJHFTDAIMWQMST-SSEXGKCCSA-N 1 2 586.668 5.127 40 0 KKABLO COc1ccccc1C[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)[C@@H](c1nnnn1Cc1ccc(F)cc1)C(C)C ZINC000001334531 551645319 /nfs/dbraw/zinc/64/53/19/551645319.db2.gz AJHFTDAIMWQMST-SSEXGKCCSA-N 1 2 586.668 5.127 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335476 551645384 /nfs/dbraw/zinc/64/53/84/551645384.db2.gz LVRWKEJMGWHUMS-LJAQVGFWSA-N 1 2 538.652 5.124 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335476 551645386 /nfs/dbraw/zinc/64/53/86/551645386.db2.gz LVRWKEJMGWHUMS-LJAQVGFWSA-N 1 2 538.652 5.124 40 0 KKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)N1c2ccccc2Sc2ccccc21 ZINC000001346549 551647083 /nfs/dbraw/zinc/64/70/83/551647083.db2.gz WCLCTUUMSNBHLZ-UHFFFAOYSA-N 1 2 502.024 6.391 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000001374044 551653124 /nfs/dbraw/zinc/65/31/24/551653124.db2.gz QRYZDUYBLOWEBQ-MHZLTWQESA-N 1 2 528.682 5.349 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000001374044 551653125 /nfs/dbraw/zinc/65/31/25/551653125.db2.gz QRYZDUYBLOWEBQ-MHZLTWQESA-N 1 2 528.682 5.349 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374209 551653517 /nfs/dbraw/zinc/65/35/17/551653517.db2.gz MKJWHGXUFUXGGM-LJAQVGFWSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374209 551653518 /nfs/dbraw/zinc/65/35/18/551653518.db2.gz MKJWHGXUFUXGGM-LJAQVGFWSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375087 551656265 /nfs/dbraw/zinc/65/62/65/551656265.db2.gz AQZYWJVMVAIDOI-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375087 551656267 /nfs/dbraw/zinc/65/62/67/551656267.db2.gz AQZYWJVMVAIDOI-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375286 551656520 /nfs/dbraw/zinc/65/65/20/551656520.db2.gz KXHBYZAPCTZQST-MUUNZHRXSA-N 1 2 566.662 5.071 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375286 551656523 /nfs/dbraw/zinc/65/65/23/551656523.db2.gz KXHBYZAPCTZQST-MUUNZHRXSA-N 1 2 566.662 5.071 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375246 551656581 /nfs/dbraw/zinc/65/65/81/551656581.db2.gz QSTCREPKXBKXQT-RUZDIDTESA-N 1 2 514.630 5.129 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375246 551656583 /nfs/dbraw/zinc/65/65/83/551656583.db2.gz QSTCREPKXBKXQT-RUZDIDTESA-N 1 2 514.630 5.129 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375452 551656879 /nfs/dbraw/zinc/65/68/79/551656879.db2.gz OXKSTPHJCWPQKW-AREMUKBSSA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375452 551656881 /nfs/dbraw/zinc/65/68/81/551656881.db2.gz OXKSTPHJCWPQKW-AREMUKBSSA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375397 551656916 /nfs/dbraw/zinc/65/69/16/551656916.db2.gz BZAPFZDKIUTNKO-HHHXNRCGSA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375397 551656920 /nfs/dbraw/zinc/65/69/20/551656920.db2.gz BZAPFZDKIUTNKO-HHHXNRCGSA-N 1 2 512.683 5.589 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375590 551657347 /nfs/dbraw/zinc/65/73/47/551657347.db2.gz KJQQBINXXZSGTB-MUUNZHRXSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375590 551657350 /nfs/dbraw/zinc/65/73/50/551657350.db2.gz KJQQBINXXZSGTB-MUUNZHRXSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375591 551657509 /nfs/dbraw/zinc/65/75/09/551657509.db2.gz ZZSUBFXNOPJBRX-SANMLTNESA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375591 551657511 /nfs/dbraw/zinc/65/75/11/551657511.db2.gz ZZSUBFXNOPJBRX-SANMLTNESA-N 1 2 536.636 5.062 40 0 KKABLO CCOC(=O)Nc1ccc(SC[C@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000003873396 552421430 /nfs/dbraw/zinc/42/14/30/552421430.db2.gz OGPIBXIQNMQSPY-WZONZLPQSA-N 1 2 508.427 5.819 40 0 in-man KKABLO O=C(NCCCn1cc[nH+]c1)c1nn2c(nc(-c3cc(Br)cs3)cc2C(F)(F)F)c1Br ZINC000004417551 552459790 /nfs/dbraw/zinc/45/97/90/552459790.db2.gz ROAPEWBNFKCHTE-UHFFFAOYSA-N 1 2 578.212 5.018 40 0 KKABLO CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460350 552502258 /nfs/dbraw/zinc/50/22/58/552502258.db2.gz YZYMLQGNRSZFFE-NSQROVRMSA-N 1 2 626.710 5.571 40 0 KKABLO CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460350 552502262 /nfs/dbraw/zinc/50/22/62/552502262.db2.gz YZYMLQGNRSZFFE-NSQROVRMSA-N 1 2 626.710 5.571 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149026 552549674 /nfs/dbraw/zinc/54/96/74/552549674.db2.gz QIAHMWDDOYIBQA-MUUNZHRXSA-N 1 2 540.737 6.172 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149026 552549678 /nfs/dbraw/zinc/54/96/78/552549678.db2.gz QIAHMWDDOYIBQA-MUUNZHRXSA-N 1 2 540.737 6.172 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000006149173 552549956 /nfs/dbraw/zinc/54/99/56/552549956.db2.gz GEUZMNLQHLTTCV-GDLZYMKVSA-N 1 2 536.680 5.503 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000006149173 552549957 /nfs/dbraw/zinc/54/99/57/552549957.db2.gz GEUZMNLQHLTTCV-GDLZYMKVSA-N 1 2 536.680 5.503 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149343 552550375 /nfs/dbraw/zinc/55/03/75/552550375.db2.gz QCIRWSDSZMYWDT-NDEPHWFRSA-N 1 2 540.737 6.172 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149343 552550378 /nfs/dbraw/zinc/55/03/78/552550378.db2.gz QCIRWSDSZMYWDT-NDEPHWFRSA-N 1 2 540.737 6.172 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149426 552550529 /nfs/dbraw/zinc/55/05/29/552550529.db2.gz UDFWUJOZCCQEEB-LJAQVGFWSA-N 1 2 538.671 5.942 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149426 552550530 /nfs/dbraw/zinc/55/05/30/552550530.db2.gz UDFWUJOZCCQEEB-LJAQVGFWSA-N 1 2 538.671 5.942 40 0 KKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006196774 552568836 /nfs/dbraw/zinc/56/88/36/552568836.db2.gz BVJVFOJGOJFNII-NDEPHWFRSA-N 1 2 512.658 5.073 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006197977 552569806 /nfs/dbraw/zinc/56/98/06/552569806.db2.gz YKMHBBXTTVNJRG-LJAQVGFWSA-N 1 2 510.686 5.626 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282686 552577988 /nfs/dbraw/zinc/57/79/88/552577988.db2.gz VMINPNWHRNMGAZ-MUUNZHRXSA-N 1 2 512.658 5.073 40 0 KKABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006301630 552580395 /nfs/dbraw/zinc/58/03/95/552580395.db2.gz CSODTPKKLLKRPC-LJAQVGFWSA-N 1 2 510.686 5.681 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321110 552581108 /nfs/dbraw/zinc/58/11/08/552581108.db2.gz IUHCBHIBCSWZMU-MVSFAKPFSA-N 1 2 548.691 5.145 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321110 552581109 /nfs/dbraw/zinc/58/11/09/552581109.db2.gz IUHCBHIBCSWZMU-MVSFAKPFSA-N 1 2 548.691 5.145 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321317 552581230 /nfs/dbraw/zinc/58/12/30/552581230.db2.gz IUHCBHIBCSWZMU-QCENPCRXSA-N 1 2 548.691 5.145 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321317 552581233 /nfs/dbraw/zinc/58/12/33/552581233.db2.gz IUHCBHIBCSWZMU-QCENPCRXSA-N 1 2 548.691 5.145 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006408891 552582985 /nfs/dbraw/zinc/58/29/85/552582985.db2.gz IICHYTXKKSPLLE-PMERELPUSA-N 1 2 546.700 5.767 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006408891 552582986 /nfs/dbraw/zinc/58/29/86/552582986.db2.gz IICHYTXKKSPLLE-PMERELPUSA-N 1 2 546.700 5.767 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000006409781 552583574 /nfs/dbraw/zinc/58/35/74/552583574.db2.gz LANOAWMMTPFKKB-NDEPHWFRSA-N 1 2 541.099 6.066 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000006409781 552583577 /nfs/dbraw/zinc/58/35/77/552583577.db2.gz LANOAWMMTPFKKB-NDEPHWFRSA-N 1 2 541.099 6.066 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)c(C)c1 ZINC000008900422 553181363 /nfs/dbraw/zinc/18/13/63/553181363.db2.gz WLXFDMAELMGKSH-UHFFFAOYSA-N 1 2 514.029 7.049 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013494743 553460345 /nfs/dbraw/zinc/46/03/45/553460345.db2.gz HNYTZQWDIBBDDT-LJAQVGFWSA-N 1 2 522.653 5.310 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013494743 553460347 /nfs/dbraw/zinc/46/03/47/553460347.db2.gz HNYTZQWDIBBDDT-LJAQVGFWSA-N 1 2 522.653 5.310 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494774 553460622 /nfs/dbraw/zinc/46/06/22/553460622.db2.gz WBMCNJFFHWHVLT-MUUNZHRXSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494774 553460623 /nfs/dbraw/zinc/46/06/23/553460623.db2.gz WBMCNJFFHWHVLT-MUUNZHRXSA-N 1 2 506.654 5.528 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495063 553461358 /nfs/dbraw/zinc/46/13/58/553461358.db2.gz VVVOYBICOPQBHN-HHHXNRCGSA-N 1 2 518.637 5.711 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495063 553461360 /nfs/dbraw/zinc/46/13/60/553461360.db2.gz VVVOYBICOPQBHN-HHHXNRCGSA-N 1 2 518.637 5.711 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495085 553461392 /nfs/dbraw/zinc/46/13/92/553461392.db2.gz NBAXXWDOIMKSNI-XMMPIXPASA-N 1 2 518.593 5.041 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495085 553461395 /nfs/dbraw/zinc/46/13/95/553461395.db2.gz NBAXXWDOIMKSNI-XMMPIXPASA-N 1 2 518.593 5.041 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495777 553462556 /nfs/dbraw/zinc/46/25/56/553462556.db2.gz BVCPQMKBZZAQDZ-VWLOTQADSA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495777 553462557 /nfs/dbraw/zinc/46/25/57/553462557.db2.gz BVCPQMKBZZAQDZ-VWLOTQADSA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495778 553462595 /nfs/dbraw/zinc/46/25/95/553462595.db2.gz JWYSQPWUJPZBKN-AREMUKBSSA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495778 553462597 /nfs/dbraw/zinc/46/25/97/553462597.db2.gz JWYSQPWUJPZBKN-AREMUKBSSA-N 1 2 528.682 5.403 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499679 553465777 /nfs/dbraw/zinc/46/57/77/553465777.db2.gz IRFZNCKYVJXUDZ-XMMPIXPASA-N 1 2 502.644 5.378 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499679 553465778 /nfs/dbraw/zinc/46/57/78/553465778.db2.gz IRFZNCKYVJXUDZ-XMMPIXPASA-N 1 2 502.644 5.378 40 0 KKABLO Fc1ccc(C2=CC[N@@H+]([C@@H](c3nnnn3CCc3ccccc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000013561824 553471663 /nfs/dbraw/zinc/47/16/63/553471663.db2.gz LKOZNQQSRBIJLS-AREMUKBSSA-N 1 2 507.535 5.952 40 0 KKABLO Fc1ccc(C2=CC[N@H+]([C@@H](c3nnnn3CCc3ccccc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000013561824 553471664 /nfs/dbraw/zinc/47/16/64/553471664.db2.gz LKOZNQQSRBIJLS-AREMUKBSSA-N 1 2 507.535 5.952 40 0 KKABLO Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C[N@@H+]5CCc6ccccc6C5)n4)ccc32)cc1 ZINC000013564992 553472517 /nfs/dbraw/zinc/47/25/17/553472517.db2.gz WWYYZYIZBVHJAL-UHFFFAOYSA-N 1 2 508.647 5.318 40 0 KKABLO Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C[N@H+]5CCc6ccccc6C5)n4)ccc32)cc1 ZINC000013564992 553472519 /nfs/dbraw/zinc/47/25/19/553472519.db2.gz WWYYZYIZBVHJAL-UHFFFAOYSA-N 1 2 508.647 5.318 40 0 KKABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F ZINC000013564995 553472621 /nfs/dbraw/zinc/47/26/21/553472621.db2.gz HQUFSOSEZWTZLW-UHFFFAOYSA-N 1 2 526.637 5.457 40 0 KKABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F ZINC000013564995 553472626 /nfs/dbraw/zinc/47/26/26/553472626.db2.gz HQUFSOSEZWTZLW-UHFFFAOYSA-N 1 2 526.637 5.457 40 0 KKABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1 ZINC000013564996 553472735 /nfs/dbraw/zinc/47/27/35/553472735.db2.gz HBVHIQXEWYFJPF-UHFFFAOYSA-N 1 2 512.610 5.149 40 0 KKABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1 ZINC000013564996 553472738 /nfs/dbraw/zinc/47/27/38/553472738.db2.gz HBVHIQXEWYFJPF-UHFFFAOYSA-N 1 2 512.610 5.149 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(OC)cc4)cc3n2)cc1 ZINC000014275833 553508926 /nfs/dbraw/zinc/50/89/26/553508926.db2.gz BVUOXPDJAZXHNN-CXUHLZMHSA-N 1 2 514.655 5.110 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019941547 553644790 /nfs/dbraw/zinc/64/47/90/553644790.db2.gz HRDRCQGXKNTMNR-HKBQPEDESA-N 1 2 532.692 6.163 40 0 KKABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019941547 553644792 /nfs/dbraw/zinc/64/47/92/553644792.db2.gz HRDRCQGXKNTMNR-HKBQPEDESA-N 1 2 532.692 6.163 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(F)cc5)o4)cc3n2)cc1 ZINC000020611038 553679013 /nfs/dbraw/zinc/67/90/13/553679013.db2.gz WIIDUFGMHZIWDH-BMRADRMJSA-N 1 2 509.585 6.626 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Br)cc(C)c4OC)cc3n2)cc1 ZINC000020611026 553679052 /nfs/dbraw/zinc/67/90/52/553679052.db2.gz FSLRYZGCDRDPOW-UHFFFAOYSA-N 1 2 522.447 5.907 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)c(C)c1 ZINC000020611061 553679413 /nfs/dbraw/zinc/67/94/13/553679413.db2.gz ODAZOYJROMCLRX-UHFFFAOYSA-N 1 2 503.475 5.831 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082106 553680847 /nfs/dbraw/zinc/68/08/47/553680847.db2.gz MHGPRTJUXIEFTI-NDEPHWFRSA-N 1 2 506.654 5.412 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082106 553680850 /nfs/dbraw/zinc/68/08/50/553680850.db2.gz MHGPRTJUXIEFTI-NDEPHWFRSA-N 1 2 506.654 5.412 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000020082653 553682398 /nfs/dbraw/zinc/68/23/98/553682398.db2.gz HWFIWIXTNVFPCQ-AREMUKBSSA-N 1 2 512.683 5.474 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000020082653 553682401 /nfs/dbraw/zinc/68/24/01/553682401.db2.gz HWFIWIXTNVFPCQ-AREMUKBSSA-N 1 2 512.683 5.474 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000020083880 553685059 /nfs/dbraw/zinc/68/50/59/553685059.db2.gz JZCWJWQCBHJVCZ-SANMLTNESA-N 1 2 528.682 5.174 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000020083880 553685062 /nfs/dbraw/zinc/68/50/62/553685062.db2.gz JZCWJWQCBHJVCZ-SANMLTNESA-N 1 2 528.682 5.174 40 0 KKABLO CCOc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(Br)c2)cc1 ZINC000020970373 553704848 /nfs/dbraw/zinc/70/48/48/553704848.db2.gz LPTXLIUWZUQFRD-XMMPIXPASA-N 1 2 503.400 6.125 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000022823310 553751891 /nfs/dbraw/zinc/75/18/91/553751891.db2.gz DNVSDJQLVPORQM-UHFFFAOYSA-N 1 2 500.672 5.825 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Br)cc4)cc3n2)cc1 ZINC000022832535 553755826 /nfs/dbraw/zinc/75/58/26/553755826.db2.gz JBRFHPFXGLUDEM-UHFFFAOYSA-N 1 2 508.420 5.355 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000022869602 553764746 /nfs/dbraw/zinc/76/47/46/553764746.db2.gz VFPHXDNSXSVSJR-NDEPHWFRSA-N 1 2 546.119 5.197 40 0 KKABLO Cc1cccc2c1NC(=O)[C@]21[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000097955168 553829466 /nfs/dbraw/zinc/82/94/66/553829466.db2.gz JRJCDJXJYQTVKJ-WVVZPGRZSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1cccc2c1NC(=O)[C@]21[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000097955168 553829468 /nfs/dbraw/zinc/82/94/68/553829468.db2.gz JRJCDJXJYQTVKJ-WVVZPGRZSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000097955244 553830171 /nfs/dbraw/zinc/83/01/71/553830171.db2.gz YCCPIQFTOOLLBA-IIFRUBFJSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000097955244 553830173 /nfs/dbraw/zinc/83/01/73/553830173.db2.gz YCCPIQFTOOLLBA-IIFRUBFJSA-N 1 2 532.427 5.316 40 0 KKABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000030861272 553859259 /nfs/dbraw/zinc/85/92/59/553859259.db2.gz NMEXJXYCNVNTBY-HHHXNRCGSA-N 1 2 503.027 5.230 40 0 KKABLO S=c1sc2c(ncnc2N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1-c1ccccc1 ZINC000033354375 553929577 /nfs/dbraw/zinc/92/95/77/553929577.db2.gz VTYTYJJJUDGUPF-DEOSSOPVSA-N 1 2 530.122 6.776 40 0 KKABLO C[C@H](Oc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000100190121 554244428 /nfs/dbraw/zinc/24/44/28/554244428.db2.gz QDGJKKNXEBCNJI-HNNXBMFYSA-N 1 2 550.462 6.685 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100369249 554355224 /nfs/dbraw/zinc/35/52/24/554355224.db2.gz HZJROFNUWDOVTM-SSEXGKCCSA-N 1 2 536.680 5.596 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100369249 554355227 /nfs/dbraw/zinc/35/52/27/554355227.db2.gz HZJROFNUWDOVTM-SSEXGKCCSA-N 1 2 536.680 5.596 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100369257 554355526 /nfs/dbraw/zinc/35/55/26/554355526.db2.gz KEJOAUWMSCDMEX-GDLZYMKVSA-N 1 2 540.643 5.427 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100369257 554355528 /nfs/dbraw/zinc/35/55/28/554355528.db2.gz KEJOAUWMSCDMEX-GDLZYMKVSA-N 1 2 540.643 5.427 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372509 554357923 /nfs/dbraw/zinc/35/79/23/554357923.db2.gz ZNPCROPKQNEYST-LJAQVGFWSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372509 554357924 /nfs/dbraw/zinc/35/79/24/554357924.db2.gz ZNPCROPKQNEYST-LJAQVGFWSA-N 1 2 536.680 5.650 40 0 KKABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057594673 554358021 /nfs/dbraw/zinc/35/80/21/554358021.db2.gz JFAVPOKYSDTULN-HHHXNRCGSA-N 1 2 514.605 5.046 40 0 KKABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057594673 554358023 /nfs/dbraw/zinc/35/80/23/554358023.db2.gz JFAVPOKYSDTULN-HHHXNRCGSA-N 1 2 514.605 5.046 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100374503 554358817 /nfs/dbraw/zinc/35/88/17/554358817.db2.gz OKSIFMDWTZXNGG-LJAQVGFWSA-N 1 2 540.643 5.563 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100374503 554358818 /nfs/dbraw/zinc/35/88/18/554358818.db2.gz OKSIFMDWTZXNGG-LJAQVGFWSA-N 1 2 540.643 5.563 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000057640697 554360919 /nfs/dbraw/zinc/36/09/19/554360919.db2.gz IDAHGTXWOFNLMI-MUUNZHRXSA-N 1 2 528.607 5.557 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000057640697 554360922 /nfs/dbraw/zinc/36/09/22/554360922.db2.gz IDAHGTXWOFNLMI-MUUNZHRXSA-N 1 2 528.607 5.557 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641390 554362323 /nfs/dbraw/zinc/36/23/23/554362323.db2.gz WQCYPLFNVAAHNM-HSZRJFAPSA-N 1 2 522.675 5.252 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641390 554362325 /nfs/dbraw/zinc/36/23/25/554362325.db2.gz WQCYPLFNVAAHNM-HSZRJFAPSA-N 1 2 522.675 5.252 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641734 554362727 /nfs/dbraw/zinc/36/27/27/554362727.db2.gz MSVRDHVFSJONTH-HHHXNRCGSA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641734 554362726 /nfs/dbraw/zinc/36/27/26/554362726.db2.gz MSVRDHVFSJONTH-HHHXNRCGSA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642089 554362975 /nfs/dbraw/zinc/36/29/75/554362975.db2.gz PXHMZUZMDREILY-MUUNZHRXSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642089 554362977 /nfs/dbraw/zinc/36/29/77/554362977.db2.gz PXHMZUZMDREILY-MUUNZHRXSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642225 554363407 /nfs/dbraw/zinc/36/34/07/554363407.db2.gz BSEIUFMUPWSMOD-VWLOTQADSA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642225 554363411 /nfs/dbraw/zinc/36/34/11/554363411.db2.gz BSEIUFMUPWSMOD-VWLOTQADSA-N 1 2 528.657 5.519 40 0 KKABLO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000100386108 554364850 /nfs/dbraw/zinc/36/48/50/554364850.db2.gz WKJSJJVVLMRABN-UHFFFAOYSA-N 1 2 543.476 5.171 40 0 KKABLO O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000059331655 554390212 /nfs/dbraw/zinc/39/02/12/554390212.db2.gz KNVZEPHECTWWKM-SOFGYWHQSA-N 1 2 516.450 5.612 40 0 KKABLO COc1ccc(Cn2nnnc2[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000100458114 554397252 /nfs/dbraw/zinc/39/72/52/554397252.db2.gz HTUXVYVPONJXKC-PMERELPUSA-N 1 2 557.620 6.583 40 0 KKABLO COc1ccc(Cn2nnnc2[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000100458114 554397253 /nfs/dbraw/zinc/39/72/53/554397253.db2.gz HTUXVYVPONJXKC-PMERELPUSA-N 1 2 557.620 6.583 40 0 KKABLO COc1ccccc1[C@@H]1N[C@@H](c2ccccc2OC)C2C(=O)C1[C@H](c1ccccc1OC)[NH2+][C@@H]2c1ccccc1OC ZINC000059844316 554448116 /nfs/dbraw/zinc/44/81/16/554448116.db2.gz ISMZWGPNPCOVDV-FWXVZOJLSA-N 1 2 564.682 5.994 40 0 KKABLO COc1ccccc1[C@@H]1N[C@H](c2ccccc2OC)C2C(=O)C1[C@@H](c1ccccc1OC)[NH2+][C@@H]2c1ccccc1OC ZINC000059844317 554448091 /nfs/dbraw/zinc/44/80/91/554448091.db2.gz ISMZWGPNPCOVDV-FFDVQFSJSA-N 1 2 564.682 5.994 40 0 KKABLO CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000060028670 554494662 /nfs/dbraw/zinc/49/46/62/554494662.db2.gz GAAUJJBQBRSGOM-UHFFFAOYSA-N 1 2 529.449 5.075 40 0 KKABLO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000060060541 554499828 /nfs/dbraw/zinc/49/98/28/554499828.db2.gz YCEYXUHGUGEOEN-UHFFFAOYSA-N 1 2 552.656 5.206 40 0 KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000101064390 554571524 /nfs/dbraw/zinc/57/15/24/554571524.db2.gz ZUEMIEDFYRIAHR-PJKQZJAASA-N 1 2 576.878 5.426 40 0 KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000101064390 554571526 /nfs/dbraw/zinc/57/15/26/554571526.db2.gz ZUEMIEDFYRIAHR-PJKQZJAASA-N 1 2 576.878 5.426 40 0 KKABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101359726 554741755 /nfs/dbraw/zinc/74/17/55/554741755.db2.gz QPIBBDVPANURMU-CXSMSNRLSA-N 1 2 534.399 5.156 40 0 KKABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101359726 554741757 /nfs/dbraw/zinc/74/17/57/554741757.db2.gz QPIBBDVPANURMU-CXSMSNRLSA-N 1 2 534.399 5.156 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589784 554801879 /nfs/dbraw/zinc/80/18/79/554801879.db2.gz LAKIGZOBKWYZKP-SPOCJGCTSA-N 1 2 572.592 5.733 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589784 554801882 /nfs/dbraw/zinc/80/18/82/554801882.db2.gz LAKIGZOBKWYZKP-SPOCJGCTSA-N 1 2 572.592 5.733 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589877 554802184 /nfs/dbraw/zinc/80/21/84/554802184.db2.gz QEIUSJDXKPHUDP-SPOCJGCTSA-N 1 2 589.047 6.247 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589877 554802186 /nfs/dbraw/zinc/80/21/86/554802186.db2.gz QEIUSJDXKPHUDP-SPOCJGCTSA-N 1 2 589.047 6.247 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589886 554802247 /nfs/dbraw/zinc/80/22/47/554802247.db2.gz QEIUSJDXKPHUDP-IZJWOVIGSA-N 1 2 589.047 6.247 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589886 554802250 /nfs/dbraw/zinc/80/22/50/554802250.db2.gz QEIUSJDXKPHUDP-IZJWOVIGSA-N 1 2 589.047 6.247 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@]2(C(=O)Nc3ccccc32)[N@H+]2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102811961 555075063 /nfs/dbraw/zinc/07/50/63/555075063.db2.gz LKLZRYIWPSGWBV-OHIQVNEGSA-N 1 2 518.400 5.008 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@]2(C(=O)Nc3ccccc32)[N@@H+]2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102811961 555075064 /nfs/dbraw/zinc/07/50/64/555075064.db2.gz LKLZRYIWPSGWBV-OHIQVNEGSA-N 1 2 518.400 5.008 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[N@H+]2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102811959 555075106 /nfs/dbraw/zinc/07/51/06/555075106.db2.gz LKLZRYIWPSGWBV-OEZPAIJMSA-N 1 2 518.400 5.008 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[N@@H+]2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102811959 555075107 /nfs/dbraw/zinc/07/51/07/555075107.db2.gz LKLZRYIWPSGWBV-OEZPAIJMSA-N 1 2 518.400 5.008 40 0 KKABLO CCCCc1[nH+]c2ccccc2n1CC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000103137009 555307218 /nfs/dbraw/zinc/30/72/18/555307218.db2.gz YVQOYMBTESRJIB-FSXKAFLSSA-N 1 2 538.642 7.480 40 0 KKABLO CCCOc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308895 555357517 /nfs/dbraw/zinc/35/75/17/555357517.db2.gz QWKISXAUMLFMGF-YUIGLEDNSA-N 1 2 598.655 6.186 40 0 KKABLO CCCOc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308895 555357520 /nfs/dbraw/zinc/35/75/20/555357520.db2.gz QWKISXAUMLFMGF-YUIGLEDNSA-N 1 2 598.655 6.186 40 0 KKABLO O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000103511537 555422307 /nfs/dbraw/zinc/42/23/07/555422307.db2.gz RKZMISDPZMQPAD-GAACBODTSA-N 1 2 531.011 6.322 40 0 KKABLO O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000103511537 555422309 /nfs/dbraw/zinc/42/23/09/555422309.db2.gz RKZMISDPZMQPAD-GAACBODTSA-N 1 2 531.011 6.322 40 0 KKABLO O=C(c1ccc(F)cc1)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103519512 555424946 /nfs/dbraw/zinc/42/49/46/555424946.db2.gz MGKOMNMQYXSJFY-KHLUAOTOSA-N 1 2 558.565 5.536 40 0 KKABLO O=C(c1ccc(F)cc1)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103519512 555424947 /nfs/dbraw/zinc/42/49/47/555424947.db2.gz MGKOMNMQYXSJFY-KHLUAOTOSA-N 1 2 558.565 5.536 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103521777 555427004 /nfs/dbraw/zinc/42/70/04/555427004.db2.gz AVMJEHWRTVYLQJ-RFMPLWHVSA-N 1 2 570.645 5.994 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103521777 555427006 /nfs/dbraw/zinc/42/70/06/555427006.db2.gz AVMJEHWRTVYLQJ-RFMPLWHVSA-N 1 2 570.645 5.994 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103521672 555427026 /nfs/dbraw/zinc/42/70/26/555427026.db2.gz NEYJUINPJFJKDW-GCZHVTBPSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103521672 555427028 /nfs/dbraw/zinc/42/70/28/555427028.db2.gz NEYJUINPJFJKDW-GCZHVTBPSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cc(OC)ccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103523250 555427696 /nfs/dbraw/zinc/42/76/96/555427696.db2.gz NLTDXXIXLCCPPL-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cc(OC)ccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103523250 555427699 /nfs/dbraw/zinc/42/76/99/555427699.db2.gz NLTDXXIXLCCPPL-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000103526362 555428349 /nfs/dbraw/zinc/42/83/49/555428349.db2.gz BZUVZYPRDNHSKS-DZDVJMQSSA-N 1 2 599.901 7.629 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000103526362 555428350 /nfs/dbraw/zinc/42/83/50/555428350.db2.gz BZUVZYPRDNHSKS-DZDVJMQSSA-N 1 2 599.901 7.629 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(C)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103529884 555430352 /nfs/dbraw/zinc/43/03/52/555430352.db2.gz ZRULEWIEPMSUTB-XKEBTDTJSA-N 1 2 554.646 6.375 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(C)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000103529884 555430354 /nfs/dbraw/zinc/43/03/54/555430354.db2.gz ZRULEWIEPMSUTB-XKEBTDTJSA-N 1 2 554.646 6.375 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1OC ZINC000103530603 555430789 /nfs/dbraw/zinc/43/07/89/555430789.db2.gz SJGOZCKXYPTXHE-MIARMAKKSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1OC ZINC000103530603 555430793 /nfs/dbraw/zinc/43/07/93/555430793.db2.gz SJGOZCKXYPTXHE-MIARMAKKSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103530562 555430869 /nfs/dbraw/zinc/43/08/69/555430869.db2.gz VVSYZUVJILOPAQ-GYEXEWKGSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103530562 555430871 /nfs/dbraw/zinc/43/08/71/555430871.db2.gz VVSYZUVJILOPAQ-GYEXEWKGSA-N 1 2 574.608 5.825 40 0 KKABLO O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103531629 555431858 /nfs/dbraw/zinc/43/18/58/555431858.db2.gz GTDNAVTVVQFCPM-RACNZAJVSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103531629 555431862 /nfs/dbraw/zinc/43/18/62/555431862.db2.gz GTDNAVTVVQFCPM-RACNZAJVSA-N 1 2 565.456 6.975 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)c(OC)c1 ZINC000103536739 555436220 /nfs/dbraw/zinc/43/62/20/555436220.db2.gz GUASAZBYALXHIT-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)c(OC)c1 ZINC000103536739 555436223 /nfs/dbraw/zinc/43/62/23/555436223.db2.gz GUASAZBYALXHIT-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103536759 555436340 /nfs/dbraw/zinc/43/63/40/555436340.db2.gz MMXUILCWEYLKHK-LRXFEKEMSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103536759 555436345 /nfs/dbraw/zinc/43/63/45/555436345.db2.gz MMXUILCWEYLKHK-LRXFEKEMSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)c1 ZINC000103537942 555436758 /nfs/dbraw/zinc/43/67/58/555436758.db2.gz GJKPHDMNCVZQEB-RFMPLWHVSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)c1 ZINC000103537942 555436763 /nfs/dbraw/zinc/43/67/63/555436763.db2.gz GJKPHDMNCVZQEB-RFMPLWHVSA-N 1 2 586.644 5.694 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103538629 555437104 /nfs/dbraw/zinc/43/71/04/555437104.db2.gz SDMNBEJABAUBGL-ACZXLBTNSA-N 1 2 570.601 5.406 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103538629 555437108 /nfs/dbraw/zinc/43/71/08/555437108.db2.gz SDMNBEJABAUBGL-ACZXLBTNSA-N 1 2 570.601 5.406 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103561903 555449222 /nfs/dbraw/zinc/44/92/22/555449222.db2.gz SACHLSJCRCWLQK-VZNYXHRGSA-N 1 2 594.589 6.554 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103561903 555449226 /nfs/dbraw/zinc/44/92/26/555449226.db2.gz SACHLSJCRCWLQK-VZNYXHRGSA-N 1 2 594.589 6.554 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103527984 571361778 /nfs/dbraw/zinc/36/17/78/571361778.db2.gz DEEGGLHMMXTTDS-YUIGLEDNSA-N 1 2 584.672 6.464 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103527984 571361779 /nfs/dbraw/zinc/36/17/79/571361779.db2.gz DEEGGLHMMXTTDS-YUIGLEDNSA-N 1 2 584.672 6.464 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(I)cc4)cc3n2)cc1 ZINC000104329642 571379245 /nfs/dbraw/zinc/37/92/45/571379245.db2.gz CWTJTCGPOMYBQS-UHFFFAOYSA-N 1 2 525.394 5.432 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(I)ccc4Cl)cc3n2)cc1 ZINC000105025941 571389750 /nfs/dbraw/zinc/38/97/50/571389750.db2.gz IBBUIOPCMADSGU-UHFFFAOYSA-N 1 2 559.839 6.085 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Br)ccc4Cl)cc3n2)cc1 ZINC000105026011 571389767 /nfs/dbraw/zinc/38/97/67/571389767.db2.gz HCYAYZAOTGVZLK-UHFFFAOYSA-N 1 2 571.932 6.118 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(I)c4)cc3n2)cc1 ZINC000105026029 571389827 /nfs/dbraw/zinc/38/98/27/571389827.db2.gz RQTPWGQCAGXWHK-UHFFFAOYSA-N 1 2 584.487 5.307 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000105313839 571398140 /nfs/dbraw/zinc/39/81/40/571398140.db2.gz KKQZTBHTMLXPRU-NTUHNPAUSA-N 1 2 553.519 6.408 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)c(C)c1 ZINC000105314156 571398272 /nfs/dbraw/zinc/39/82/72/571398272.db2.gz WBPAMINXUJFWKB-UHFFFAOYSA-N 1 2 578.742 6.589 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)cc3n2)c(C)c1 ZINC000105314085 571398314 /nfs/dbraw/zinc/39/83/14/571398314.db2.gz FYHKIAJGZLCXCY-XYOKQWHBSA-N 1 2 567.546 6.717 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3n2)c(C)c1 ZINC000105314209 571398397 /nfs/dbraw/zinc/39/83/97/571398397.db2.gz DBCUTPMPBQSSGH-UHFFFAOYSA-N 1 2 607.567 7.577 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3n2)c(C)c1 ZINC000105320892 571402312 /nfs/dbraw/zinc/40/23/12/571402312.db2.gz FDLQLMRIOOOFAA-UHFFFAOYSA-N 1 2 558.480 7.158 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3n2)c(C)c1 ZINC000105320878 571402315 /nfs/dbraw/zinc/40/23/15/571402315.db2.gz VYJBZIKAWJJAFE-UHFFFAOYSA-N 1 2 548.474 7.703 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cc(Br)cc(Br)c4OC)cc3n2)c(C)c1 ZINC000105320972 571402371 /nfs/dbraw/zinc/40/23/71/571402371.db2.gz PGWYYJQECQVQBG-DHZHZOJOSA-N 1 2 627.381 7.069 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)c(C)c1 ZINC000105320896 571402399 /nfs/dbraw/zinc/40/23/99/571402399.db2.gz SJRYTCCXLFCZPN-UHFFFAOYSA-N 1 2 548.474 7.703 40 0 KKABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000109054091 571428313 /nfs/dbraw/zinc/42/83/13/571428313.db2.gz VLMHHVHFVCJWJA-UHFFFAOYSA-N 1 2 560.119 5.997 40 0 KKABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CCC[NH+]1CCOCC1 ZINC000223202243 571444239 /nfs/dbraw/zinc/44/42/39/571444239.db2.gz PWVUYWJQLAFBSR-ZEQRLZLVSA-N 1 2 517.482 5.343 40 0 KKABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1CCC[NH+]1CCOCC1 ZINC000223201895 571444245 /nfs/dbraw/zinc/44/42/45/571444245.db2.gz CTRSBFTXYVQDRO-BJKOFHAPSA-N 1 2 517.482 5.343 40 0 KKABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CCC[NH+]1CCOCC1 ZINC000223202180 571444263 /nfs/dbraw/zinc/44/42/63/571444263.db2.gz PWVUYWJQLAFBSR-DNQXCXABSA-N 1 2 517.482 5.343 40 0 KKABLO Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223203341 571444481 /nfs/dbraw/zinc/44/44/81/571444481.db2.gz VONXXYOPJPORCA-DQEYMECFSA-N 1 2 541.515 5.107 40 0 KKABLO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922038 571446585 /nfs/dbraw/zinc/44/65/85/571446585.db2.gz AHKXIQGCXFDYPT-QDOPHRPOSA-N 1 2 527.834 7.662 40 0 KKABLO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000139703428 571453491 /nfs/dbraw/zinc/45/34/91/571453491.db2.gz ABPOUGNWPRRJNG-UHFFFAOYSA-N 1 2 571.102 6.160 40 0 KKABLO O=C([O-])[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150364320 571464413 /nfs/dbraw/zinc/46/44/13/571464413.db2.gz FFVVHORODDZQPF-VQJSHJPSSA-N 1 2 639.799 8.301 40 0 KKABLO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1)c1cc(I)ccc1Cl ZINC000150370787 571465704 /nfs/dbraw/zinc/46/57/04/571465704.db2.gz YJFPDNJRLLLAKN-UHFFFAOYSA-N 1 2 659.808 6.700 40 0 KKABLO CCOC(=O)CC[C@@H](NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC ZINC000150382598 571467256 /nfs/dbraw/zinc/46/72/56/571467256.db2.gz HXQMEXBMQABZTD-UVTBUIGASA-N 1 2 791.026 9.053 40 0 KKABLO CN(c1ccc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000150406502 571479721 /nfs/dbraw/zinc/47/97/21/571479721.db2.gz XDFDHKCOSRUKQP-UHFFFAOYSA-N 1 2 660.659 7.036 40 0 KKABLO C[C@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)C1 ZINC000224137923 571484182 /nfs/dbraw/zinc/48/41/82/571484182.db2.gz KESUTXMNAMQZNF-IECLFQADSA-N 1 2 585.221 7.251 40 0 KKABLO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000215937804 571588542 /nfs/dbraw/zinc/58/85/42/571588542.db2.gz HAHWJYMAFFLTQC-UHFFFAOYSA-N 1 2 552.656 5.206 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cccc2ccccc21 ZINC000224637122 571592127 /nfs/dbraw/zinc/59/21/27/571592127.db2.gz CRQAWCAKPOFYOT-FMIVXFBMSA-N 1 2 506.646 6.289 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224645245 571593728 /nfs/dbraw/zinc/59/37/28/571593728.db2.gz ISQSWQAAXUKXSZ-JSOSNVBQSA-N 1 2 531.685 6.908 40 0 KKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000216495208 571597018 /nfs/dbraw/zinc/59/70/18/571597018.db2.gz RKSIINIWFYXWFA-UHFFFAOYSA-N 1 2 522.630 5.198 40 0 KKABLO COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000224062470 571605036 /nfs/dbraw/zinc/60/50/36/571605036.db2.gz PLLKOHVTCJRYBT-VSGBNLITSA-N 1 2 548.112 5.794 40 0 KKABLO COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)o2)c(OC)c1 ZINC000224938617 571631982 /nfs/dbraw/zinc/63/19/82/571631982.db2.gz VSQARWSYSZZWTG-DHZHZOJOSA-N 1 2 509.606 5.497 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000225079950 571645082 /nfs/dbraw/zinc/64/50/82/571645082.db2.gz WBKTUDMOJNSHQE-CZNDPXEESA-N 1 2 588.737 6.133 40 0 KKABLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000225249164 571662408 /nfs/dbraw/zinc/66/24/08/571662408.db2.gz VMBKKDHCDTXBBQ-IZLXSDGUSA-N 1 2 561.111 5.354 40 0 KKABLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000225275993 571665544 /nfs/dbraw/zinc/66/55/44/571665544.db2.gz AWSVVYWLADYVMC-WDYNHAJCSA-N 1 2 540.693 5.009 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225375924 571741985 /nfs/dbraw/zinc/74/19/85/571741985.db2.gz YUPKGVCIAOWFDE-XZWHSSHBSA-N 1 2 523.706 6.437 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 ZINC000225375863 571742050 /nfs/dbraw/zinc/74/20/50/571742050.db2.gz YUPKGVCIAOWFDE-LOYHVIPDSA-N 1 2 523.706 6.437 40 0 KKABLO CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225554847 571916823 /nfs/dbraw/zinc/91/68/23/571916823.db2.gz BMJOYUZGVCQMOF-KYJUHHDHSA-N 1 2 538.721 5.502 40 0 KKABLO Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225691142 572026181 /nfs/dbraw/zinc/02/61/81/572026181.db2.gz SASMZNSWRQDDIU-VMPREFPWSA-N 1 2 524.694 5.248 40 0 KKABLO O=c1sc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2n1Cc1ccccc1Cl ZINC000225800684 572071160 /nfs/dbraw/zinc/07/11/60/572071160.db2.gz NJLBFYCNEJEPCH-UHFFFAOYSA-N 1 2 590.170 5.861 40 0 KKABLO CCN(c1ccc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000225858148 572078309 /nfs/dbraw/zinc/07/83/09/572078309.db2.gz OOHSFAKSKYJSJY-UHFFFAOYSA-N 1 2 549.718 5.083 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261362391 572104134 /nfs/dbraw/zinc/10/41/34/572104134.db2.gz JEQVVNUTDBIGQD-LJQANCHMSA-O 1 2 553.300 5.622 40 0 KKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000261363771 572105902 /nfs/dbraw/zinc/10/59/02/572105902.db2.gz IDQWNDJVSQZSBS-HHHXNRCGSA-O 1 2 542.040 6.288 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)ccc1OCc1ccccc1 ZINC000261364515 572106821 /nfs/dbraw/zinc/10/68/21/572106821.db2.gz LWMIGVRXMIEZPR-MUUNZHRXSA-O 1 2 592.539 6.284 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261365410 572108093 /nfs/dbraw/zinc/10/80/93/572108093.db2.gz SBMGWBTXAICASP-VWLOTQADSA-O 1 2 586.576 6.225 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)c(OC(C)=O)c(OCC)c1 ZINC000261365893 572108473 /nfs/dbraw/zinc/10/84/73/572108473.db2.gz WBLJQNCVSTUIMS-RUZDIDTESA-O 1 2 588.504 5.029 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)cc(OC)c1OC ZINC000261365881 572108610 /nfs/dbraw/zinc/10/86/10/572108610.db2.gz VZUUTYRMSZDAFJ-RUZDIDTESA-O 1 2 574.521 5.502 40 0 KKABLO CC(C)(C)c1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc(C(C)(C)C)c1O ZINC000261366375 572109006 /nfs/dbraw/zinc/10/90/06/572109006.db2.gz ZHWTVDMIXFDZRB-MHZLTWQESA-O 1 2 562.159 7.355 40 0 KKABLO CCCCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(C)C ZINC000231429892 572187186 /nfs/dbraw/zinc/18/71/86/572187186.db2.gz GPOFBPYGOMXNPZ-UHFFFAOYSA-N 1 2 506.712 6.085 40 0 KKABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1ccc(C)cc1 ZINC000408559386 572246698 /nfs/dbraw/zinc/24/66/98/572246698.db2.gz LWXQIHPNSCUPEQ-UHFFFAOYSA-N 1 2 555.700 5.352 40 0 KKABLO COC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408576296 572261144 /nfs/dbraw/zinc/26/11/44/572261144.db2.gz RWOUSXLXDLOCJM-UHFFFAOYSA-N 1 2 591.711 5.149 40 0 KKABLO COC(=O)c1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408576296 572261146 /nfs/dbraw/zinc/26/11/46/572261146.db2.gz RWOUSXLXDLOCJM-UHFFFAOYSA-N 1 2 591.711 5.149 40 0 KKABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)[NH+]=C3N=CNN32)ccc1OCc1c(Cl)cccc1Cl ZINC000408622029 572281875 /nfs/dbraw/zinc/28/18/75/572281875.db2.gz AECHECOIEXBFEQ-HHHXNRCGSA-N 1 2 564.473 6.451 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(C)c(Cl)c2)cc1 ZINC000408622087 572281958 /nfs/dbraw/zinc/28/19/58/572281958.db2.gz UEQYKCDHRBSMPF-RMKNXTFCSA-N 1 2 538.113 5.010 40 0 KKABLO O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408623330 572282616 /nfs/dbraw/zinc/28/26/16/572282616.db2.gz SLDRIMGXZHOJNH-KPKJPENVSA-N 1 2 558.531 5.042 40 0 KKABLO Cc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000408630864 572286717 /nfs/dbraw/zinc/28/67/17/572286717.db2.gz XDYUNIRYEBWZSI-RMKNXTFCSA-N 1 2 538.113 5.010 40 0 KKABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2ccccc2Oc2cccc(Cl)c2)CCO1)N1CCOCC1 ZINC000257217128 572307889 /nfs/dbraw/zinc/30/78/89/572307889.db2.gz CXONPWIQZSOFOY-SSEXGKCCSA-N 1 2 571.501 5.685 40 0 KKABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2ccccc2Oc2cccc(Cl)c2)CCO1)N1CCOCC1 ZINC000257217128 572307890 /nfs/dbraw/zinc/30/78/90/572307890.db2.gz CXONPWIQZSOFOY-SSEXGKCCSA-N 1 2 571.501 5.685 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2ccc(F)cc2Cl)C1 ZINC000257232583 572309484 /nfs/dbraw/zinc/30/94/84/572309484.db2.gz GLNHOSRCJKWKOD-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2ccc(F)cc2Cl)C1 ZINC000257232583 572309485 /nfs/dbraw/zinc/30/94/85/572309485.db2.gz GLNHOSRCJKWKOD-JWQCQUIFSA-N 1 2 503.401 5.517 40 0 KKABLO Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000408664692 572310971 /nfs/dbraw/zinc/31/09/71/572310971.db2.gz DCRNRPMSSZNVJU-UHFFFAOYSA-N 1 2 515.835 5.595 40 0 KKABLO CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@@H]2O[C@H](CC(=O)N(CC[NH+]3CCOCC3)Cc3ccc(F)cc3)CC[C@H]21 ZINC000257262880 572312210 /nfs/dbraw/zinc/31/22/10/572312210.db2.gz LNKMLCACATZMEY-JKMYNKRXSA-N 1 2 602.747 6.163 40 0 KKABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)CCC1(C)C ZINC000257289579 572314840 /nfs/dbraw/zinc/31/48/40/572314840.db2.gz PZGZYGZDPOQYMS-UHFFFAOYSA-N 1 2 527.731 5.360 40 0 KKABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@H+](Cc2ccccc2Oc2cccc(Cl)c2)CCO1 ZINC000257306814 572316423 /nfs/dbraw/zinc/31/64/23/572316423.db2.gz SWBAYBKPROGEIX-AREMUKBSSA-N 1 2 501.410 5.311 40 0 KKABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2ccccc2Oc2cccc(Cl)c2)CCO1 ZINC000257306814 572316424 /nfs/dbraw/zinc/31/64/24/572316424.db2.gz SWBAYBKPROGEIX-AREMUKBSSA-N 1 2 501.410 5.311 40 0 KKABLO Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408675406 572318076 /nfs/dbraw/zinc/31/80/76/572318076.db2.gz IJFLYUNJCAQHKP-UHFFFAOYSA-N 1 2 513.641 6.031 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257336644 572319446 /nfs/dbraw/zinc/31/94/46/572319446.db2.gz YPIHBWLQWKKEOL-UHFFFAOYSA-N 1 2 579.738 5.689 40 0 KKABLO CCCCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257337478 572319600 /nfs/dbraw/zinc/31/96/00/572319600.db2.gz YSYXMRIVRNSPTN-DHIFEGFHSA-N 1 2 571.784 5.083 40 0 KKABLO CCCCOc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257337478 572319601 /nfs/dbraw/zinc/31/96/01/572319601.db2.gz YSYXMRIVRNSPTN-DHIFEGFHSA-N 1 2 571.784 5.083 40 0 KKABLO Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C[NH+]5CCN(Cc6ccccc6)CC5)cc4)cc3)sc2c1 ZINC000408861706 1070078253 /nfs/dbraw/zinc/07/82/53/1070078253.db2.gz GARNFVPETXNSSY-UHFFFAOYSA-N 1 2 532.713 6.842 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2c(C)cccc2C)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408992935 1070359035 /nfs/dbraw/zinc/35/90/35/1070359035.db2.gz VDCXWZZVLHTHEC-QFIPXVFZSA-N 1 2 506.455 5.820 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589922 1070930844 /nfs/dbraw/zinc/93/08/44/1070930844.db2.gz AFQLCWMWVKJBCF-IVLKBZHLSA-N 1 2 560.631 5.655 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589922 1070930854 /nfs/dbraw/zinc/93/08/54/1070930854.db2.gz AFQLCWMWVKJBCF-IVLKBZHLSA-N 1 2 560.631 5.655 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)c(OC)c1 ZINC000103538648 1070934007 /nfs/dbraw/zinc/93/40/07/1070934007.db2.gz WPGGYJUEXCAPOP-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)c(OC)c1 ZINC000103538648 1070934025 /nfs/dbraw/zinc/93/40/25/1070934025.db2.gz WPGGYJUEXCAPOP-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO Cc1nccn1Cc1cccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(NC(=O)c3ccc(F)c(Cl)c3)c2)c1 ZINC000585293390 1071042358 /nfs/dbraw/zinc/04/23/58/1071042358.db2.gz GKFRCLHVKJXZRC-UHFFFAOYSA-N 1 2 561.061 5.289 40 0 KKABLO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408923219 1071088391 /nfs/dbraw/zinc/08/83/91/1071088391.db2.gz ASYYZZJMLBRCMR-UHFFFAOYSA-N 1 2 507.703 6.549 40 0 KKABLO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CC[NH+](Cc5ccccc5)CC4)cc3)cc2)c1 ZINC000408920803 1071098086 /nfs/dbraw/zinc/09/80/86/1071098086.db2.gz NNXJUZAUFZSXGD-UHFFFAOYSA-N 1 2 600.741 5.075 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000102370229 1071307237 /nfs/dbraw/zinc/30/72/37/1071307237.db2.gz LIMKTMNBTIRLMK-FBMCJCTKSA-N 1 2 612.682 6.381 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000102370229 1071307250 /nfs/dbraw/zinc/30/72/50/1071307250.db2.gz LIMKTMNBTIRLMK-FBMCJCTKSA-N 1 2 612.682 6.381 40 0 KKABLO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)cc2)c(OC)c1 ZINC000408710434 1071507506 /nfs/dbraw/zinc/50/75/06/1071507506.db2.gz FBJGVUBXVLSAMI-UHFFFAOYSA-N 1 2 562.063 5.148 40 0 KKABLO Cc1cc(C)c(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)c(C)c1 ZINC000408749063 1071687906 /nfs/dbraw/zinc/68/79/06/1071687906.db2.gz KUPOLNOIZADDSQ-UHFFFAOYSA-N 1 2 544.746 6.154 40 0 KKABLO COc1cc([C@H](CC(=O)NCCCn2cc[nH+]c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138522 1073178522 /nfs/dbraw/zinc/17/85/22/1073178522.db2.gz MPHPVWUFLMKRJQ-HOFKKMOUSA-N 1 2 663.768 5.530 40 0 KKABLO Cc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(Br)cc3)n2)cc1 ZINC000000932737 551585102 /nfs/dbraw/zinc/58/51/02/551585102.db2.gz OFYWENLMHPXEDH-UHFFFAOYSA-N 1 2 500.462 5.250 40 0 KKABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335585 551645370 /nfs/dbraw/zinc/64/53/70/551645370.db2.gz LBGAZTQFTVPEOU-NDEPHWFRSA-N 1 2 550.663 5.072 40 0 KKABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335585 551645371 /nfs/dbraw/zinc/64/53/71/551645371.db2.gz LBGAZTQFTVPEOU-NDEPHWFRSA-N 1 2 550.663 5.072 40 0 KKABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001338038 551646401 /nfs/dbraw/zinc/64/64/01/551646401.db2.gz ROHWZBPCHVATTP-VWLOTQADSA-N 1 2 542.665 5.091 40 0 KKABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001338038 551646404 /nfs/dbraw/zinc/64/64/04/551646404.db2.gz ROHWZBPCHVATTP-VWLOTQADSA-N 1 2 542.665 5.091 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000001374046 551653078 /nfs/dbraw/zinc/65/30/78/551653078.db2.gz QRYZDUYBLOWEBQ-HHHXNRCGSA-N 1 2 528.682 5.349 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000001374046 551653080 /nfs/dbraw/zinc/65/30/80/551653080.db2.gz QRYZDUYBLOWEBQ-HHHXNRCGSA-N 1 2 528.682 5.349 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374776 551655008 /nfs/dbraw/zinc/65/50/08/551655008.db2.gz QKQLGZHFIJOPAN-MUUNZHRXSA-N 1 2 526.616 5.059 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374776 551655011 /nfs/dbraw/zinc/65/50/11/551655011.db2.gz QKQLGZHFIJOPAN-MUUNZHRXSA-N 1 2 526.616 5.059 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001375858 551657857 /nfs/dbraw/zinc/65/78/57/551657857.db2.gz FDLGJXHOAPNOMD-SANMLTNESA-N 1 2 532.645 5.316 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001375858 551657859 /nfs/dbraw/zinc/65/78/59/551657859.db2.gz FDLGJXHOAPNOMD-SANMLTNESA-N 1 2 532.645 5.316 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001375859 551657868 /nfs/dbraw/zinc/65/78/68/551657868.db2.gz FDLGJXHOAPNOMD-AREMUKBSSA-N 1 2 532.645 5.316 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001375859 551657870 /nfs/dbraw/zinc/65/78/70/551657870.db2.gz FDLGJXHOAPNOMD-AREMUKBSSA-N 1 2 532.645 5.316 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198276 552570214 /nfs/dbraw/zinc/57/02/14/552570214.db2.gz DQZAICNDCQOMEQ-QCENPCRXSA-N 1 2 548.691 5.090 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006198276 552570216 /nfs/dbraw/zinc/57/02/16/552570216.db2.gz DQZAICNDCQOMEQ-QCENPCRXSA-N 1 2 548.691 5.090 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000006321184 552581076 /nfs/dbraw/zinc/58/10/76/552581076.db2.gz RQUOIZMVNGOAGY-GDLZYMKVSA-N 1 2 538.671 5.860 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000006321184 552581077 /nfs/dbraw/zinc/58/10/77/552581077.db2.gz RQUOIZMVNGOAGY-GDLZYMKVSA-N 1 2 538.671 5.860 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000006409966 552583772 /nfs/dbraw/zinc/58/37/72/552583772.db2.gz ZJQIMUOPCXUUNC-SSEXGKCCSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000006409966 552583774 /nfs/dbraw/zinc/58/37/74/552583774.db2.gz ZJQIMUOPCXUUNC-SSEXGKCCSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409992 552584102 /nfs/dbraw/zinc/58/41/02/552584102.db2.gz PSSHGPWNEVKBTF-GDLZYMKVSA-N 1 2 538.721 6.224 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409992 552584103 /nfs/dbraw/zinc/58/41/03/552584103.db2.gz PSSHGPWNEVKBTF-GDLZYMKVSA-N 1 2 538.721 6.224 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006410113 552584135 /nfs/dbraw/zinc/58/41/35/552584135.db2.gz DFRVEWLHMQQPCM-SSEXGKCCSA-N 1 2 546.700 5.767 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006410113 552584136 /nfs/dbraw/zinc/58/41/36/552584136.db2.gz DFRVEWLHMQQPCM-SSEXGKCCSA-N 1 2 546.700 5.767 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006444121 552586753 /nfs/dbraw/zinc/58/67/53/552586753.db2.gz JIKRQHISNUUUCB-JGCGQSQUSA-N 1 2 540.671 5.706 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006444121 552586755 /nfs/dbraw/zinc/58/67/55/552586755.db2.gz JIKRQHISNUUUCB-JGCGQSQUSA-N 1 2 540.671 5.706 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)cc3n2)c(C)c1 ZINC000008835485 553162211 /nfs/dbraw/zinc/16/22/11/553162211.db2.gz FMCFHDPFJNZIQU-UHFFFAOYSA-N 1 2 507.063 5.664 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494716 553460320 /nfs/dbraw/zinc/46/03/20/553460320.db2.gz KSYQLOKVSLXROB-NDEPHWFRSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494716 553460322 /nfs/dbraw/zinc/46/03/22/553460322.db2.gz KSYQLOKVSLXROB-NDEPHWFRSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494714 553460385 /nfs/dbraw/zinc/46/03/85/553460385.db2.gz KSYQLOKVSLXROB-MUUNZHRXSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494714 553460386 /nfs/dbraw/zinc/46/03/86/553460386.db2.gz KSYQLOKVSLXROB-MUUNZHRXSA-N 1 2 506.654 5.528 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494728 553460394 /nfs/dbraw/zinc/46/03/94/553460394.db2.gz MCQOOGRHZCZLAQ-HHHXNRCGSA-N 1 2 500.647 5.572 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494728 553460395 /nfs/dbraw/zinc/46/03/95/553460395.db2.gz MCQOOGRHZCZLAQ-HHHXNRCGSA-N 1 2 500.647 5.572 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494759 553460509 /nfs/dbraw/zinc/46/05/09/553460509.db2.gz PEXUMANEKSEEGP-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494759 553460513 /nfs/dbraw/zinc/46/05/13/553460513.db2.gz PEXUMANEKSEEGP-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494853 553460531 /nfs/dbraw/zinc/46/05/31/553460531.db2.gz UBKGTFVXSBHIGK-MUUNZHRXSA-N 1 2 514.674 5.880 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494853 553460534 /nfs/dbraw/zinc/46/05/34/553460534.db2.gz UBKGTFVXSBHIGK-MUUNZHRXSA-N 1 2 514.674 5.880 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494758 553460589 /nfs/dbraw/zinc/46/05/89/553460589.db2.gz PEXUMANEKSEEGP-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494758 553460591 /nfs/dbraw/zinc/46/05/91/553460591.db2.gz PEXUMANEKSEEGP-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495115 553461265 /nfs/dbraw/zinc/46/12/65/553461265.db2.gz IIQCQHZIIDTWAG-MHZLTWQESA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495115 553461266 /nfs/dbraw/zinc/46/12/66/553461266.db2.gz IIQCQHZIIDTWAG-MHZLTWQESA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495163 553461638 /nfs/dbraw/zinc/46/16/38/553461638.db2.gz DKMJAKBELZXTRD-GDLZYMKVSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495163 553461639 /nfs/dbraw/zinc/46/16/39/553461639.db2.gz DKMJAKBELZXTRD-GDLZYMKVSA-N 1 2 522.653 5.228 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495232 553461930 /nfs/dbraw/zinc/46/19/30/553461930.db2.gz RZNHMVDMRWVOKO-VWLOTQADSA-N 1 2 514.630 5.210 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495232 553461932 /nfs/dbraw/zinc/46/19/32/553461932.db2.gz RZNHMVDMRWVOKO-VWLOTQADSA-N 1 2 514.630 5.210 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495197 553461987 /nfs/dbraw/zinc/46/19/87/553461987.db2.gz FIVRAIDOSANTRC-MUUNZHRXSA-N 1 2 530.673 5.581 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495197 553461988 /nfs/dbraw/zinc/46/19/88/553461988.db2.gz FIVRAIDOSANTRC-MUUNZHRXSA-N 1 2 530.673 5.581 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495243 553462005 /nfs/dbraw/zinc/46/20/05/553462005.db2.gz RJMAGAGISQUGGF-HSZRJFAPSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495243 553462006 /nfs/dbraw/zinc/46/20/06/553462006.db2.gz RJMAGAGISQUGGF-HSZRJFAPSA-N 1 2 516.646 5.159 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013495792 553462790 /nfs/dbraw/zinc/46/27/90/553462790.db2.gz QIGHELZSGFRJHX-MHZLTWQESA-N 1 2 528.682 5.371 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013495792 553462792 /nfs/dbraw/zinc/46/27/92/553462792.db2.gz QIGHELZSGFRJHX-MHZLTWQESA-N 1 2 528.682 5.371 40 0 KKABLO Cc1cccc2cc(C[N@H+](Cc3ccco3)C3(c4nnnn4C4CCCCC4)CCCCC3)c(=O)[nH]c12 ZINC000013501252 553466497 /nfs/dbraw/zinc/46/64/97/553466497.db2.gz PHDUZAKTUBLTPV-UHFFFAOYSA-N 1 2 500.647 5.783 40 0 KKABLO Cc1cccc2cc(C[N@@H+](Cc3ccco3)C3(c4nnnn4C4CCCCC4)CCCCC3)c(=O)[nH]c12 ZINC000013501252 553466498 /nfs/dbraw/zinc/46/64/98/553466498.db2.gz PHDUZAKTUBLTPV-UHFFFAOYSA-N 1 2 500.647 5.783 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000013561793 553471744 /nfs/dbraw/zinc/47/17/44/553471744.db2.gz GUWKESOJRGDYQA-AREMUKBSSA-N 1 2 507.604 6.671 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000013561793 553471746 /nfs/dbraw/zinc/47/17/46/553471746.db2.gz GUWKESOJRGDYQA-AREMUKBSSA-N 1 2 507.604 6.671 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000013561792 553471749 /nfs/dbraw/zinc/47/17/49/553471749.db2.gz GUWKESOJRGDYQA-SANMLTNESA-N 1 2 507.604 6.671 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000013561792 553471751 /nfs/dbraw/zinc/47/17/51/553471751.db2.gz GUWKESOJRGDYQA-SANMLTNESA-N 1 2 507.604 6.671 40 0 KKABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000013564993 553472584 /nfs/dbraw/zinc/47/25/84/553472584.db2.gz FOJMTNBMJSGAPC-UHFFFAOYSA-N 1 2 522.674 5.627 40 0 KKABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000013564993 553472586 /nfs/dbraw/zinc/47/25/86/553472586.db2.gz FOJMTNBMJSGAPC-UHFFFAOYSA-N 1 2 522.674 5.627 40 0 KKABLO Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)C[N@@H+]4CCc5ccccc5C4)n3)ccc21 ZINC000013564998 553472687 /nfs/dbraw/zinc/47/26/87/553472687.db2.gz MJIAJNAKUXMYKK-UHFFFAOYSA-N 1 2 508.647 5.318 40 0 KKABLO Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)C[N@H+]4CCc5ccccc5C4)n3)ccc21 ZINC000013564998 553472688 /nfs/dbraw/zinc/47/26/88/553472688.db2.gz MJIAJNAKUXMYKK-UHFFFAOYSA-N 1 2 508.647 5.318 40 0 KKABLO CCOC(=O)N1CC[NH+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000015441046 553533305 /nfs/dbraw/zinc/53/33/05/553533305.db2.gz LFHILISBGSUSTK-RUZDIDTESA-N 1 2 507.656 5.489 40 0 KKABLO CCOc1ccc([C@@H]2Nc3[nH+]c4ccccc4n3C(C)=C2C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000020176387 553602101 /nfs/dbraw/zinc/60/21/01/553602101.db2.gz WYDOKZMZMNSXLW-SANMLTNESA-N 1 2 519.001 6.142 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000070686513 553605246 /nfs/dbraw/zinc/60/52/46/553605246.db2.gz PNDSHIATOJKPKN-FJJKMLSJSA-N 1 2 562.851 5.117 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000070686513 553605248 /nfs/dbraw/zinc/60/52/48/553605248.db2.gz PNDSHIATOJKPKN-FJJKMLSJSA-N 1 2 562.851 5.117 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941321 553643373 /nfs/dbraw/zinc/64/33/73/553643373.db2.gz QRMQBSXBUVBVRB-WJOKGBTCSA-N 1 2 532.692 6.163 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941321 553643377 /nfs/dbraw/zinc/64/33/77/553643377.db2.gz QRMQBSXBUVBVRB-WJOKGBTCSA-N 1 2 532.692 6.163 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019941550 553645029 /nfs/dbraw/zinc/64/50/29/553645029.db2.gz DTIPZHDAVZHBAE-SSEXGKCCSA-N 1 2 518.665 5.772 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019941550 553645032 /nfs/dbraw/zinc/64/50/32/553645032.db2.gz DTIPZHDAVZHBAE-SSEXGKCCSA-N 1 2 518.665 5.772 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3n2)cc1 ZINC000020611039 553679047 /nfs/dbraw/zinc/67/90/47/553679047.db2.gz CQZMKXXJXBYDNR-UHFFFAOYSA-N 1 2 517.992 6.880 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)(c4ccccc4)c4ccccc4)cc3n2)cc1 ZINC000022827558 553753571 /nfs/dbraw/zinc/75/35/71/553753571.db2.gz RTHVBJVXZGPQPX-UHFFFAOYSA-N 1 2 503.650 6.520 40 0 KKABLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)cc1 ZINC000022839036 553758107 /nfs/dbraw/zinc/75/81/07/553758107.db2.gz CXOUHSRSQMSOBH-UHFFFAOYSA-N 1 2 514.645 6.812 40 0 KKABLO COc1cc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)cc1Cl ZINC000022842927 553759116 /nfs/dbraw/zinc/75/91/16/553759116.db2.gz DRVSSUJIDDUEEE-UHFFFAOYSA-N 1 2 518.029 5.739 40 0 KKABLO CCCCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1 ZINC000022861272 553763176 /nfs/dbraw/zinc/76/31/76/553763176.db2.gz PLJBKMWIHNCDEX-UHFFFAOYSA-N 1 2 530.698 5.881 40 0 KKABLO S=C(NCCCc1c[nH+]c[nH]1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000026815863 553821717 /nfs/dbraw/zinc/82/17/17/553821717.db2.gz UREJDUPKGMFJRU-UHFFFAOYSA-N 1 2 556.361 5.368 40 0 in-vitro KKABLO S=C(NCCCc1c[nH]c[nH+]1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000026815863 553821718 /nfs/dbraw/zinc/82/17/18/553821718.db2.gz UREJDUPKGMFJRU-UHFFFAOYSA-N 1 2 556.361 5.368 40 0 in-vitro KKABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000030861280 553859216 /nfs/dbraw/zinc/85/92/16/553859216.db2.gz NMEXJXYCNVNTBY-MHZLTWQESA-N 1 2 503.027 5.230 40 0 KKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943197 553860828 /nfs/dbraw/zinc/86/08/28/553860828.db2.gz GAVTZEJQWZCSNN-SFHVURJKSA-N 1 2 501.841 6.729 40 0 KKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943197 553860826 /nfs/dbraw/zinc/86/08/26/553860826.db2.gz GAVTZEJQWZCSNN-SFHVURJKSA-N 1 2 501.841 6.729 40 0 KKABLO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034930642 554033184 /nfs/dbraw/zinc/03/31/84/554033184.db2.gz IRQJPSIEYGADPC-SDMDVNNHSA-N 1 2 536.760 6.301 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000098000232 554049577 /nfs/dbraw/zinc/04/95/77/554049577.db2.gz NKVHINDRYIMFQH-UYHTUSCMSA-N 1 2 567.795 10.184 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000098000232 554049581 /nfs/dbraw/zinc/04/95/81/554049581.db2.gz NKVHINDRYIMFQH-UYHTUSCMSA-N 1 2 567.795 10.184 40 0 KKABLO CCOC(=O)c1c(/C=C/c2[nH+]ccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1OC ZINC000035973599 554114594 /nfs/dbraw/zinc/11/45/94/554114594.db2.gz CRTUEHUFNDBEER-GHVJWSGMSA-N 1 2 514.625 7.079 40 0 KKABLO CCCCCOc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C[NH+]2CCC(Cc4ccccc4)CC2)C3=O)cc1 ZINC000100088089 554209776 /nfs/dbraw/zinc/20/97/76/554209776.db2.gz CFQYNPKWNXBMGJ-UMSFTDKQSA-N 1 2 569.771 6.447 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100369210 554355159 /nfs/dbraw/zinc/35/51/59/554355159.db2.gz LRZOMHFUGAROLK-GDLZYMKVSA-N 1 2 540.643 5.427 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000100369210 554355163 /nfs/dbraw/zinc/35/51/63/554355163.db2.gz LRZOMHFUGAROLK-GDLZYMKVSA-N 1 2 540.643 5.427 40 0 KKABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057594668 554358181 /nfs/dbraw/zinc/35/81/81/554358181.db2.gz JFAVPOKYSDTULN-MHZLTWQESA-N 1 2 514.605 5.046 40 0 KKABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057594668 554358185 /nfs/dbraw/zinc/35/81/85/554358185.db2.gz JFAVPOKYSDTULN-MHZLTWQESA-N 1 2 514.605 5.046 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375069 554359144 /nfs/dbraw/zinc/35/91/44/554359144.db2.gz XQSQZMGMCDCEGH-NDEPHWFRSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375069 554359148 /nfs/dbraw/zinc/35/91/48/554359148.db2.gz XQSQZMGMCDCEGH-NDEPHWFRSA-N 1 2 540.643 5.481 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640590 554360725 /nfs/dbraw/zinc/36/07/25/554360725.db2.gz DHXISFZBORWHPO-HHHXNRCGSA-N 1 2 500.647 5.354 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640590 554360727 /nfs/dbraw/zinc/36/07/27/554360727.db2.gz DHXISFZBORWHPO-HHHXNRCGSA-N 1 2 500.647 5.354 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640819 554360945 /nfs/dbraw/zinc/36/09/45/554360945.db2.gz LUWDWCQYKNWBPC-GDLZYMKVSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640819 554360947 /nfs/dbraw/zinc/36/09/47/554360947.db2.gz LUWDWCQYKNWBPC-GDLZYMKVSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640810 554360965 /nfs/dbraw/zinc/36/09/65/554360965.db2.gz AZELIMNGSZBSNN-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640810 554360960 /nfs/dbraw/zinc/36/09/60/554360960.db2.gz AZELIMNGSZBSNN-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641322 554362138 /nfs/dbraw/zinc/36/21/38/554362138.db2.gz ZXJCMHZHEMUNKI-AREMUKBSSA-N 1 2 528.657 5.253 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641322 554362144 /nfs/dbraw/zinc/36/21/44/554362144.db2.gz ZXJCMHZHEMUNKI-AREMUKBSSA-N 1 2 528.657 5.253 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641575 554362464 /nfs/dbraw/zinc/36/24/64/554362464.db2.gz LALDCFOEEUIDBO-PMERELPUSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641575 554362468 /nfs/dbraw/zinc/36/24/68/554362468.db2.gz LALDCFOEEUIDBO-PMERELPUSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641909 554362938 /nfs/dbraw/zinc/36/29/38/554362938.db2.gz UPMFQPCZZOZRSC-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641909 554362939 /nfs/dbraw/zinc/36/29/39/554362939.db2.gz UPMFQPCZZOZRSC-NDEPHWFRSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642094 554362941 /nfs/dbraw/zinc/36/29/41/554362941.db2.gz FBJYZHLODNBFBL-LJAQVGFWSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642094 554362942 /nfs/dbraw/zinc/36/29/42/554362942.db2.gz FBJYZHLODNBFBL-LJAQVGFWSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641888 554363032 /nfs/dbraw/zinc/36/30/32/554363032.db2.gz NRGOFEIYZARXSB-LJAQVGFWSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641888 554363034 /nfs/dbraw/zinc/36/30/34/554363034.db2.gz NRGOFEIYZARXSB-LJAQVGFWSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642401 554363958 /nfs/dbraw/zinc/36/39/58/554363958.db2.gz AOURSYYALFJEEZ-MUUNZHRXSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642401 554363963 /nfs/dbraw/zinc/36/39/63/554363963.db2.gz AOURSYYALFJEEZ-MUUNZHRXSA-N 1 2 524.644 5.781 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)c(C)c1 ZINC000059331870 554391893 /nfs/dbraw/zinc/39/18/93/554391893.db2.gz VZFDFBBLOHMBTH-UHFFFAOYSA-N 1 2 519.649 6.715 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000060060032 554498242 /nfs/dbraw/zinc/49/82/42/554498242.db2.gz KJBOGCJPMSSPIK-UHFFFAOYSA-N 1 2 553.990 5.244 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000101064603 554572483 /nfs/dbraw/zinc/57/24/83/554572483.db2.gz HHXFUJSDCGISHF-NOQOKTLNSA-N 1 2 576.450 5.826 40 0 KKABLO O=C(c1ccc(Br)cc1)[C@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000101064603 554572486 /nfs/dbraw/zinc/57/24/86/554572486.db2.gz HHXFUJSDCGISHF-NOQOKTLNSA-N 1 2 576.450 5.826 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101589788 554801939 /nfs/dbraw/zinc/80/19/39/554801939.db2.gz LAKIGZOBKWYZKP-MIARMAKKSA-N 1 2 572.592 5.733 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101589788 554801940 /nfs/dbraw/zinc/80/19/40/554801940.db2.gz LAKIGZOBKWYZKP-MIARMAKKSA-N 1 2 572.592 5.733 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589794 554801950 /nfs/dbraw/zinc/80/19/50/554801950.db2.gz LAKIGZOBKWYZKP-IZJWOVIGSA-N 1 2 572.592 5.733 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589794 554801951 /nfs/dbraw/zinc/80/19/51/554801951.db2.gz LAKIGZOBKWYZKP-IZJWOVIGSA-N 1 2 572.592 5.733 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589833 554801961 /nfs/dbraw/zinc/80/19/61/554801961.db2.gz GVRBTXXOBMXJLS-IZJWOVIGSA-N 1 2 623.492 6.900 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589833 554801962 /nfs/dbraw/zinc/80/19/62/554801962.db2.gz GVRBTXXOBMXJLS-IZJWOVIGSA-N 1 2 623.492 6.900 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000102370375 554916193 /nfs/dbraw/zinc/91/61/93/554916193.db2.gz TWCBHMWSSWIGMU-AXXJGTDDSA-N 1 2 589.091 7.109 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000102370375 554916196 /nfs/dbraw/zinc/91/61/96/554916196.db2.gz TWCBHMWSSWIGMU-AXXJGTDDSA-N 1 2 589.091 7.109 40 0 KKABLO O=C(C(C(=O)c1ccccc1)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@H]3CCCC[C@]31[NH+]=2)c1ccccc1 ZINC000102416523 554924964 /nfs/dbraw/zinc/92/49/64/554924964.db2.gz WSCAEWNQAUQUOU-OGZWJJDASA-N 1 2 598.746 7.768 40 0 KKABLO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000102766291 555055290 /nfs/dbraw/zinc/05/52/90/555055290.db2.gz YCCPIQFTOOLLBA-STJBOXKPSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000102766291 555055292 /nfs/dbraw/zinc/05/52/92/555055292.db2.gz YCCPIQFTOOLLBA-STJBOXKPSA-N 1 2 532.427 5.316 40 0 KKABLO O=C(c1ccc(F)cc1)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000103519509 555424899 /nfs/dbraw/zinc/42/48/99/555424899.db2.gz MGKOMNMQYXSJFY-HQMQMYHNSA-N 1 2 558.565 5.536 40 0 KKABLO O=C(c1ccc(F)cc1)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000103519509 555424900 /nfs/dbraw/zinc/42/49/00/555424900.db2.gz MGKOMNMQYXSJFY-HQMQMYHNSA-N 1 2 558.565 5.536 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103520586 555425749 /nfs/dbraw/zinc/42/57/49/555425749.db2.gz NHYKODDUGWTYEY-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103520586 555425754 /nfs/dbraw/zinc/42/57/54/555425754.db2.gz NHYKODDUGWTYEY-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103526366 555428708 /nfs/dbraw/zinc/42/87/08/555428708.db2.gz BZUVZYPRDNHSKS-PBNWVGGGSA-N 1 2 599.901 7.629 40 0 KKABLO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103526366 555428710 /nfs/dbraw/zinc/42/87/10/555428710.db2.gz BZUVZYPRDNHSKS-PBNWVGGGSA-N 1 2 599.901 7.629 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000103527940 555429328 /nfs/dbraw/zinc/42/93/28/555429328.db2.gz JHARCBVMTBBHAN-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000103527940 555429330 /nfs/dbraw/zinc/42/93/30/555429330.db2.gz JHARCBVMTBBHAN-GCZHVTBPSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000103528978 555429616 /nfs/dbraw/zinc/42/96/16/555429616.db2.gz CMQFWLSIKUZOSE-JBXUNAHCSA-N 1 2 534.399 5.156 40 0 KKABLO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000103528978 555429620 /nfs/dbraw/zinc/42/96/20/555429620.db2.gz CMQFWLSIKUZOSE-JBXUNAHCSA-N 1 2 534.399 5.156 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103532571 555432932 /nfs/dbraw/zinc/43/29/32/555432932.db2.gz LRFSPTJODZRHEI-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103532571 555432934 /nfs/dbraw/zinc/43/29/34/555432934.db2.gz LRFSPTJODZRHEI-XMFJDCMESA-N 1 2 586.644 5.694 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103538246 555437159 /nfs/dbraw/zinc/43/71/59/555437159.db2.gz CMEIZLIFTLDCFX-NGTMZHBCSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103538246 555437162 /nfs/dbraw/zinc/43/71/62/555437162.db2.gz CMEIZLIFTLDCFX-NGTMZHBCSA-N 1 2 561.037 6.330 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288127 571361532 /nfs/dbraw/zinc/36/15/32/571361532.db2.gz WSIZNCCWQBZODB-CYPQMOBWSA-N 1 2 584.672 6.466 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288127 571361533 /nfs/dbraw/zinc/36/15/33/571361533.db2.gz WSIZNCCWQBZODB-CYPQMOBWSA-N 1 2 584.672 6.466 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103528690 571361770 /nfs/dbraw/zinc/36/17/70/571361770.db2.gz STOAPNMOTXHAIM-GYEXEWKGSA-N 1 2 556.618 5.686 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103528690 571361771 /nfs/dbraw/zinc/36/17/71/571361771.db2.gz STOAPNMOTXHAIM-GYEXEWKGSA-N 1 2 556.618 5.686 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104063290 571372026 /nfs/dbraw/zinc/37/20/26/571372026.db2.gz SVSCQAOVTQLVFU-KRFMAMIKSA-N 1 2 576.652 6.688 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104063290 571372028 /nfs/dbraw/zinc/37/20/28/571372028.db2.gz SVSCQAOVTQLVFU-KRFMAMIKSA-N 1 2 576.652 6.688 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000104099311 571373775 /nfs/dbraw/zinc/37/37/75/571373775.db2.gz VHSJHNMGXXIYGX-GYEXEWKGSA-N 1 2 570.601 5.406 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000104099311 571373776 /nfs/dbraw/zinc/37/37/76/571373776.db2.gz VHSJHNMGXXIYGX-GYEXEWKGSA-N 1 2 570.601 5.406 40 0 KKABLO Cc1ccc(CN(c2ccc3sc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3c2)S(C)(=O)=O)cc1 ZINC000104403543 571380234 /nfs/dbraw/zinc/38/02/34/571380234.db2.gz YWNSAFZHZYBIHT-UHFFFAOYSA-N 1 2 609.817 6.723 40 0 KKABLO O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000104406935 571380860 /nfs/dbraw/zinc/38/08/60/571380860.db2.gz BZBDWPOAEOOXDX-UHFFFAOYSA-N 1 2 569.702 5.515 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000105026042 571389820 /nfs/dbraw/zinc/38/98/20/571389820.db2.gz OTHZFFZPDXRVBD-UHFFFAOYSA-N 1 2 527.481 6.009 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(Br)c4)cc3n2)cc1 ZINC000105026034 571389831 /nfs/dbraw/zinc/38/98/31/571389831.db2.gz ILKNIKFYHDVUAE-UHFFFAOYSA-N 1 2 537.487 5.464 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Br)ccc4Cl)cc3n2)c(C)c1 ZINC000105313916 571398093 /nfs/dbraw/zinc/39/80/93/571398093.db2.gz BDECZIYKKZZAIP-UHFFFAOYSA-N 1 2 585.959 6.426 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c(Br)c4)cc3n2)c(C)c1 ZINC000105313967 571398208 /nfs/dbraw/zinc/39/82/08/571398208.db2.gz DSEPLPSSMFERRN-UHFFFAOYSA-N 1 2 581.540 5.781 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc(Cl)c5Cl)o4)cc3n2)c(C)c1 ZINC000105314122 571398236 /nfs/dbraw/zinc/39/82/36/571398236.db2.gz GFGSXYIDPICRIK-UHFFFAOYSA-N 1 2 607.567 7.577 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(I)c4)cc3n2)c(C)c1 ZINC000105313945 571398274 /nfs/dbraw/zinc/39/82/74/571398274.db2.gz MHSMRTIHAJPFQX-UHFFFAOYSA-N 1 2 598.514 5.615 40 0 KKABLO CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1Br ZINC000105320912 571402323 /nfs/dbraw/zinc/40/23/23/571402323.db2.gz VVWRYDPYYUHNBV-UHFFFAOYSA-N 1 2 536.474 6.297 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cc(Br)ccc4OC)cc3n2)c(C)c1 ZINC000105320969 571402382 /nfs/dbraw/zinc/40/23/82/571402382.db2.gz SJTWFFWIBBHNHG-MDWZMJQESA-N 1 2 548.485 6.307 40 0 KKABLO CN(CCc1ccccn1)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1C[N@H+](Cc1ccccc1Cl)CC2=O ZINC000107429127 571420183 /nfs/dbraw/zinc/42/01/83/571420183.db2.gz QJNNOXPEHWJLON-SVBPBHIXSA-N 1 2 589.180 5.466 40 0 KKABLO CN(CCc1ccccn1)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1C[N@@H+](Cc1ccccc1Cl)CC2=O ZINC000107429127 571420184 /nfs/dbraw/zinc/42/01/84/571420184.db2.gz QJNNOXPEHWJLON-SVBPBHIXSA-N 1 2 589.180 5.466 40 0 KKABLO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)cc2)c1 ZINC000108580936 571426276 /nfs/dbraw/zinc/42/62/76/571426276.db2.gz CQCORZPFIRTLFX-UHFFFAOYSA-N 1 2 562.063 5.148 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)c(C)c1 ZINC000112239312 571434940 /nfs/dbraw/zinc/43/49/40/571434940.db2.gz PQMXCLCDOJXREB-NTCAYCPXSA-N 1 2 613.187 7.632 40 0 KKABLO Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223171075 571440247 /nfs/dbraw/zinc/44/02/47/571440247.db2.gz XQJQSUBTUDXOBQ-SVBPBHIXSA-N 1 2 524.134 5.146 40 0 KKABLO Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223170909 571440284 /nfs/dbraw/zinc/44/02/84/571440284.db2.gz XQJQSUBTUDXOBQ-KAYWLYCHSA-N 1 2 524.134 5.146 40 0 KKABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223199318 571443870 /nfs/dbraw/zinc/44/38/70/571443870.db2.gz QDVQJEJTEASLBD-RPWUZVMVSA-N 1 2 515.104 5.174 40 0 KKABLO Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223203149 571444522 /nfs/dbraw/zinc/44/45/22/571444522.db2.gz VONXXYOPJPORCA-JWQCQUIFSA-N 1 2 541.515 5.107 40 0 KKABLO O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382731 571467452 /nfs/dbraw/zinc/46/74/52/571467452.db2.gz BEHNBKWCWKCQRR-YYACYCFASA-N 1 2 793.045 10.396 40 0 KKABLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000150383146 571467585 /nfs/dbraw/zinc/46/75/85/571467585.db2.gz LDHMHOFHMJMMKK-JHOUSYSJSA-N 1 2 648.785 5.630 40 0 KKABLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000150383146 571467586 /nfs/dbraw/zinc/46/75/86/571467586.db2.gz LDHMHOFHMJMMKK-JHOUSYSJSA-N 1 2 648.785 5.630 40 0 KKABLO CCN(c1ccc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000150406507 571479602 /nfs/dbraw/zinc/47/96/02/571479602.db2.gz MNBDWVPIHCBKRN-UHFFFAOYSA-N 1 2 674.686 7.426 40 0 KKABLO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000150570195 571521412 /nfs/dbraw/zinc/52/14/12/571521412.db2.gz FGEPSMYXLFLLLK-UHFFFAOYSA-N 1 2 624.446 7.964 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224516897 571564601 /nfs/dbraw/zinc/56/46/01/571564601.db2.gz KQUISPFDZPTAEF-SDNWHVSQSA-N 1 2 512.694 6.433 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224558849 571574295 /nfs/dbraw/zinc/57/42/95/571574295.db2.gz BSODYYWWJWJJRI-UHFFFAOYSA-N 1 2 550.655 6.018 40 0 KKABLO COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000215876245 571586674 /nfs/dbraw/zinc/58/66/74/571586674.db2.gz SSKBGNVDCSZEMQ-UHFFFAOYSA-N 1 2 549.718 5.001 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cc(C)cc(C)c1C ZINC000224614262 571587066 /nfs/dbraw/zinc/58/70/66/571587066.db2.gz ACSKIUGIACHLCE-UHFFFAOYSA-N 1 2 516.638 5.276 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224645204 571593784 /nfs/dbraw/zinc/59/37/84/571593784.db2.gz ISQSWQAAXUKXSZ-FIRIVFDPSA-N 1 2 531.685 6.908 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CSc1ccc(C)cc1 ZINC000224666727 571598930 /nfs/dbraw/zinc/59/89/30/571598930.db2.gz ZDMBSUHRQYUVFY-UHFFFAOYSA-N 1 2 504.652 5.373 40 0 KKABLO COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2)cc1 ZINC000224747623 571613464 /nfs/dbraw/zinc/61/34/64/571613464.db2.gz FXUBMYMMAIWNBL-ROJLCIKYSA-N 1 2 561.711 6.916 40 0 KKABLO O=C(c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224945907 571632666 /nfs/dbraw/zinc/63/26/66/571632666.db2.gz QJWARCSTQWOPIU-UHFFFAOYSA-N 1 2 546.421 5.458 40 0 KKABLO O=C(c1ccccc1-c1ncc(-c2cccc(Br)c2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224957036 571633631 /nfs/dbraw/zinc/63/36/31/571633631.db2.gz LIXFKIOVLXJOQB-JXMROGBWSA-N 1 2 528.450 6.242 40 0 KKABLO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1OC ZINC000225193411 571656549 /nfs/dbraw/zinc/65/65/49/571656549.db2.gz ZCVDIQHGGFCXHJ-VMPREFPWSA-N 1 2 540.693 5.473 40 0 KKABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1NC(C)=O ZINC000225324852 571680993 /nfs/dbraw/zinc/68/09/93/571680993.db2.gz GRXWFCQDUOJOQK-IZLXSDGUSA-N 1 2 526.666 5.082 40 0 KKABLO Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000225634192 571985994 /nfs/dbraw/zinc/98/59/94/571985994.db2.gz BKFXIEMPTTVFGL-KYJUHHDHSA-N 1 2 538.721 5.556 40 0 KKABLO O=C(c1snnc1-c1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225785331 572067619 /nfs/dbraw/zinc/06/76/19/572067619.db2.gz MWGGIXPREXABDC-UHFFFAOYSA-N 1 2 519.468 5.515 40 0 KKABLO CCN(c1ccc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000225858178 572078243 /nfs/dbraw/zinc/07/82/43/572078243.db2.gz UOGHLGDDHHTETB-UHFFFAOYSA-N 1 2 625.816 6.673 40 0 KKABLO CCCC(=O)Oc1c(OC)cc(Br)cc1[C@H]1N(C(=O)CCC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261363157 572105032 /nfs/dbraw/zinc/10/50/32/572105032.db2.gz GFHWUPCHEDNDEC-VWLOTQADSA-O 1 2 588.504 5.029 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)ccc1OCc1ccccc1 ZINC000261364516 572106951 /nfs/dbraw/zinc/10/69/51/572106951.db2.gz LWMIGVRXMIEZPR-NDEPHWFRSA-O 1 2 592.539 6.284 40 0 KKABLO CCC(=O)Oc1c(OC)cc(Br)c(Br)c1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364762 572106983 /nfs/dbraw/zinc/10/69/83/572106983.db2.gz NNHOXJNBTKJPJM-HSZRJFAPSA-O 1 2 639.346 5.011 40 0 KKABLO CCOC(=O)c1ccc(-c2ccc([C@H]3N(C(C)=O)c4ccccc4-c4c(=O)[nH]c(SCc5ccccc5)n[n+]43)o2)cc1 ZINC000261365417 572107934 /nfs/dbraw/zinc/10/79/34/572107934.db2.gz SCXQFRKCRMALCU-PMERELPUSA-O 1 2 579.658 5.779 40 0 KKABLO O=c1[nH]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@H]2c1cc(I)c(O)c(I)c1 ZINC000261365511 572108030 /nfs/dbraw/zinc/10/80/30/572108030.db2.gz SVULLNYZXOPQIS-OAQYLSRUSA-O 1 2 701.735 5.970 40 0 KKABLO CCOc1ccc2ccccc2c1[C@@H]1N(C(=O)c2ccccc2)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261365687 572108045 /nfs/dbraw/zinc/10/80/45/572108045.db2.gz UPSIUSIWZRZGDY-MUUNZHRXSA-O 1 2 521.622 5.618 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(OCC)ccc2ccccc21 ZINC000261365777 572108369 /nfs/dbraw/zinc/10/83/69/572108369.db2.gz VEZUANZVCMCYON-MUUNZHRXSA-O 1 2 515.659 5.884 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(O)c(OCC)c1 ZINC000261366129 572109116 /nfs/dbraw/zinc/10/91/16/572109116.db2.gz XMWFXTUEBFVFFV-QFIPXVFZSA-O 1 2 532.484 5.648 40 0 KKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccccc3Br)nc(NC3CCCC3)[nH+]2)c1 ZINC000328966978 572146691 /nfs/dbraw/zinc/14/66/91/572146691.db2.gz CQAUEJMJHVSPHV-UHFFFAOYSA-N 1 2 507.354 5.615 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3n2)c(C)c1 ZINC000408573851 572259143 /nfs/dbraw/zinc/25/91/43/572259143.db2.gz OVYGRUIBRMMSFJ-SAPNQHFASA-N 1 2 564.715 6.670 40 0 KKABLO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408617608 572279638 /nfs/dbraw/zinc/27/96/38/572279638.db2.gz BXBDDRMZAWNBCS-QPJJXVBHSA-N 1 2 637.427 5.804 40 0 KKABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000408618244 572279991 /nfs/dbraw/zinc/27/99/91/572279991.db2.gz DSYOHTLWFZWIBZ-JXMROGBWSA-N 1 2 587.664 5.075 40 0 KKABLO O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408625960 572283650 /nfs/dbraw/zinc/28/36/50/572283650.db2.gz YWFJODSSKPEWRR-RMKNXTFCSA-N 1 2 558.531 5.042 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000253500297 572294157 /nfs/dbraw/zinc/29/41/57/572294157.db2.gz ASNYCLQAIFMNIY-VPUSJEBWSA-N 1 2 500.647 5.130 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000253500297 572294159 /nfs/dbraw/zinc/29/41/59/572294159.db2.gz ASNYCLQAIFMNIY-VPUSJEBWSA-N 1 2 500.647 5.130 40 0 KKABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1C ZINC000253500329 572294352 /nfs/dbraw/zinc/29/43/52/572294352.db2.gz COJZACONECMOFN-VPUSJEBWSA-N 1 2 518.637 5.109 40 0 KKABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1C ZINC000253500329 572294353 /nfs/dbraw/zinc/29/43/53/572294353.db2.gz COJZACONECMOFN-VPUSJEBWSA-N 1 2 518.637 5.109 40 0 KKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500524 572294367 /nfs/dbraw/zinc/29/43/67/572294367.db2.gz UKTVVEPWLROSCO-SQHAQQRYSA-N 1 2 518.637 5.261 40 0 KKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000253500524 572294368 /nfs/dbraw/zinc/29/43/68/572294368.db2.gz UKTVVEPWLROSCO-SQHAQQRYSA-N 1 2 518.637 5.261 40 0 KKABLO CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@@H]2O[C@H](CC(=O)N(CCCn3cc[nH+]c3)Cc3ccccc3F)CC[C@H]21 ZINC000257200511 572306433 /nfs/dbraw/zinc/30/64/33/572306433.db2.gz ADQCITSBDCFLBU-CQUMZHQQSA-N 1 2 597.731 7.118 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC2 ZINC000257201935 572306610 /nfs/dbraw/zinc/30/66/10/572306610.db2.gz AJRLEKWRDMCWBQ-UHFFFAOYSA-N 1 2 561.748 5.301 40 0 KKABLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC3)CN(S(=O)(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)CO4)n2)cc1 ZINC000257205022 572306837 /nfs/dbraw/zinc/30/68/37/572306837.db2.gz AXHMULBOKKKSFX-GDLZYMKVSA-N 1 2 630.836 5.532 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2Cl)C1 ZINC000257214426 572307609 /nfs/dbraw/zinc/30/76/09/572307609.db2.gz CLYGQICVCDLNCX-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2Cl)C1 ZINC000257214426 572307611 /nfs/dbraw/zinc/30/76/11/572307611.db2.gz CLYGQICVCDLNCX-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO CC(C)CCC[C@]1(C)Oc2ccc(C(=O)NCc3ccc(C(=O)N(CCCn4cc[nH+]c4)Cc4ccccc4Cl)cc3)cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000257227678 572308878 /nfs/dbraw/zinc/30/88/78/572308878.db2.gz FQKCPFDGEPHVHZ-GCVMUDJHSA-N 1 2 711.347 9.033 40 0 KKABLO Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)C[N@H+](Cc3ccccc3Oc3cccc(Cl)c3)CCO2)cc(C)c1Cl ZINC000257280860 572313948 /nfs/dbraw/zinc/31/39/48/572313948.db2.gz OMSNZZOIQWUIBI-MGBGTMOVSA-N 1 2 613.582 6.426 40 0 KKABLO Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)C[N@@H+](Cc3ccccc3Oc3cccc(Cl)c3)CCO2)cc(C)c1Cl ZINC000257280860 572313949 /nfs/dbraw/zinc/31/39/49/572313949.db2.gz OMSNZZOIQWUIBI-MGBGTMOVSA-N 1 2 613.582 6.426 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257288006 572314769 /nfs/dbraw/zinc/31/47/69/572314769.db2.gz PSJLHZBHURTHGO-UHFFFAOYSA-N 1 2 565.711 5.902 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc(Oc5ccccc5)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257290099 572314910 /nfs/dbraw/zinc/31/49/10/572314910.db2.gz QBPGKGUFMVUMQW-UVMMSNCQSA-N 1 2 591.774 5.696 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc(Oc5ccccc5)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257290099 572314912 /nfs/dbraw/zinc/31/49/12/572314912.db2.gz QBPGKGUFMVUMQW-UVMMSNCQSA-N 1 2 591.774 5.696 40 0 KKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@@H]1Oc1ccccc1 ZINC000257337148 572319621 /nfs/dbraw/zinc/31/96/21/572319621.db2.gz YRPOWQYDRHMAOV-JDXGNMNLSA-N 1 2 502.680 6.281 40 0 KKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@@H]1Oc1ccccc1 ZINC000257337148 572319622 /nfs/dbraw/zinc/31/96/22/572319622.db2.gz YRPOWQYDRHMAOV-JDXGNMNLSA-N 1 2 502.680 6.281 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2ccc(Cl)cc2Cl)C1 ZINC000257339236 572319783 /nfs/dbraw/zinc/31/97/83/572319783.db2.gz ZAVQVJBUVMALQO-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2ccc(Cl)cc2Cl)C1 ZINC000257339236 572319784 /nfs/dbraw/zinc/31/97/84/572319784.db2.gz ZAVQVJBUVMALQO-JWQCQUIFSA-N 1 2 519.856 6.031 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ncc(Cc4ccccc4F)s3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257339180 572319797 /nfs/dbraw/zinc/31/97/97/572319797.db2.gz ZANPKNWVQFDGED-UHFFFAOYSA-N 1 2 570.756 5.157 40 0 KKABLO C=CC(=O)N1CCC[C@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)c3c2nc[nH+]c3N)C1 ZINC000205186544 1069684605 /nfs/dbraw/zinc/68/46/05/1069684605.db2.gz CGJVMKJGKFEHTL-QHCPKHFHSA-N 1 2 523.641 5.109 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)cc1OC ZINC000104121963 1070935367 /nfs/dbraw/zinc/93/53/67/1070935367.db2.gz JDYLPBHLJDLZSD-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)cc1OC ZINC000104121963 1070935384 /nfs/dbraw/zinc/93/53/84/1070935384.db2.gz JDYLPBHLJDLZSD-NIKYWZLZSA-N 1 2 557.606 5.081 40 0 KKABLO CCCN(c1ccc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408713655 1071479432 /nfs/dbraw/zinc/47/94/32/1071479432.db2.gz ZENNUCSLXJQDBZ-UHFFFAOYSA-N 1 2 547.746 5.773 40 0 KKABLO O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409409541 1072809839 /nfs/dbraw/zinc/80/98/39/1072809839.db2.gz HTUFHBKNZSSMRE-UHFFFAOYSA-N 1 2 546.092 5.688 40 0 KKABLO CN1c2cc(Br)ccc2OC[C@H]([NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O ZINC001542984474 1073173651 /nfs/dbraw/zinc/17/36/51/1073173651.db2.gz CJABCPPCHHAGES-VWLOTQADSA-N 1 2 513.435 5.755 40 0 KKABLO COc1cc([C@H](CC(=O)NC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138402 1073177569 /nfs/dbraw/zinc/17/75/69/1073177569.db2.gz KUANTSLKGZJSTR-YDZBWFOPSA-N 1 2 788.891 6.210 40 0 KKABLO COc1cc([C@H](CC(=O)NC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138402 1073177573 /nfs/dbraw/zinc/17/75/73/1073177573.db2.gz KUANTSLKGZJSTR-YDZBWFOPSA-N 1 2 788.891 6.210 40 0 KKABLO COc1cc([C@H](CC(=O)NCCc2c[nH]c[nH+]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138751 1073180792 /nfs/dbraw/zinc/18/07/92/1073180792.db2.gz GACWHOBGUUKCQW-LVXARBLLSA-N 1 2 649.741 5.209 40 0 KKABLO COc1cc([C@H](CC(=O)NCCc2c[nH+]c[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138751 1073180794 /nfs/dbraw/zinc/18/07/94/1073180794.db2.gz GACWHOBGUUKCQW-LVXARBLLSA-N 1 2 649.741 5.209 40 0 KKABLO COc1cc([C@@H](CC(=O)NCCSCc2[nH]c[nH+]c2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139034 1073183315 /nfs/dbraw/zinc/18/33/15/1073183315.db2.gz BAMJJOTYYBSLNN-WXVAWEFUSA-N 1 2 709.862 6.209 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100369296 193905159 /nfs/dbraw/zinc/90/51/59/193905159.db2.gz PVESFIKPKYSWCO-SSEXGKCCSA-N 1 2 536.680 5.482 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100369296 193905161 /nfs/dbraw/zinc/90/51/61/193905161.db2.gz PVESFIKPKYSWCO-SSEXGKCCSA-N 1 2 536.680 5.482 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374273 551653535 /nfs/dbraw/zinc/65/35/35/551653535.db2.gz CUSRTKVWEGVVKZ-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374273 551653536 /nfs/dbraw/zinc/65/35/36/551653536.db2.gz CUSRTKVWEGVVKZ-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374205 551653544 /nfs/dbraw/zinc/65/35/44/551653544.db2.gz XPYURUBDVKARDS-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374205 551653545 /nfs/dbraw/zinc/65/35/45/551653545.db2.gz XPYURUBDVKARDS-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374498 551654025 /nfs/dbraw/zinc/65/40/25/551654025.db2.gz KZALWDYSJUWKFW-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374498 551654026 /nfs/dbraw/zinc/65/40/26/551654026.db2.gz KZALWDYSJUWKFW-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374718 551654567 /nfs/dbraw/zinc/65/45/67/551654567.db2.gz MOSDFRANALWARR-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374718 551654568 /nfs/dbraw/zinc/65/45/68/551654568.db2.gz MOSDFRANALWARR-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374734 551654579 /nfs/dbraw/zinc/65/45/79/551654579.db2.gz OVRIOMKDDUMKSS-HHHXNRCGSA-N 1 2 530.579 5.003 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374734 551654581 /nfs/dbraw/zinc/65/45/81/551654581.db2.gz OVRIOMKDDUMKSS-HHHXNRCGSA-N 1 2 530.579 5.003 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375099 551656300 /nfs/dbraw/zinc/65/63/00/551656300.db2.gz BYDPDRQCLPSAQT-MHZLTWQESA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375099 551656303 /nfs/dbraw/zinc/65/63/03/551656303.db2.gz BYDPDRQCLPSAQT-MHZLTWQESA-N 1 2 528.682 5.403 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375068 551656397 /nfs/dbraw/zinc/65/63/97/551656397.db2.gz XGTWEPBSTGXWEF-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375068 551656398 /nfs/dbraw/zinc/65/63/98/551656398.db2.gz XGTWEPBSTGXWEF-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375264 551656566 /nfs/dbraw/zinc/65/65/66/551656566.db2.gz RGBPUJZLIQIJFG-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375264 551656568 /nfs/dbraw/zinc/65/65/68/551656568.db2.gz RGBPUJZLIQIJFG-LJAQVGFWSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375268 551656610 /nfs/dbraw/zinc/65/66/10/551656610.db2.gz ZKYZSGIULXREIQ-HHHXNRCGSA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375268 551656612 /nfs/dbraw/zinc/65/66/12/551656612.db2.gz ZKYZSGIULXREIQ-HHHXNRCGSA-N 1 2 536.636 5.062 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375412 551656906 /nfs/dbraw/zinc/65/69/06/551656906.db2.gz QBMKMYQZOIHPPM-QHCPKHFHSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375412 551656909 /nfs/dbraw/zinc/65/69/09/551656909.db2.gz QBMKMYQZOIHPPM-QHCPKHFHSA-N 1 2 516.646 5.159 40 0 KKABLO C[NH+](Cc1cc(Br)c(O)c(Br)c1)Cc1cc(Br)c(O)c(Br)c1 ZINC000001681075 551688957 /nfs/dbraw/zinc/68/89/57/551688957.db2.gz ZDEVMXXKJZKJMR-UHFFFAOYSA-N 1 2 558.890 5.780 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006015009 552519253 /nfs/dbraw/zinc/51/92/53/552519253.db2.gz PJDMHZVODGPPIW-NDEPHWFRSA-N 1 2 540.643 5.252 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006015009 552519254 /nfs/dbraw/zinc/51/92/54/552519254.db2.gz PJDMHZVODGPPIW-NDEPHWFRSA-N 1 2 540.643 5.252 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198085 552569794 /nfs/dbraw/zinc/56/97/94/552569794.db2.gz VSAPGQCVSURUKC-HKBQPEDESA-N 1 2 548.691 5.178 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321166 552581111 /nfs/dbraw/zinc/58/11/11/552581111.db2.gz HEEKOERTBCXSKE-PMERELPUSA-N 1 2 518.665 5.224 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006405804 552582491 /nfs/dbraw/zinc/58/24/91/552582491.db2.gz YCCBYBKDVODEJG-SSEXGKCCSA-N 1 2 518.665 5.224 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409923 552583764 /nfs/dbraw/zinc/58/37/64/552583764.db2.gz DFRVEWLHMQQPCM-PMERELPUSA-N 1 2 546.700 5.767 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409923 552583767 /nfs/dbraw/zinc/58/37/67/552583767.db2.gz DFRVEWLHMQQPCM-PMERELPUSA-N 1 2 546.700 5.767 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000006442458 552584854 /nfs/dbraw/zinc/58/48/54/552584854.db2.gz KYAGTYHJRACPAQ-GDLZYMKVSA-N 1 2 510.686 5.681 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000006443881 552586092 /nfs/dbraw/zinc/58/60/92/552586092.db2.gz BUYLOWQHIZKXAE-MUUNZHRXSA-N 1 2 541.099 6.066 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000006443881 552586093 /nfs/dbraw/zinc/58/60/93/552586093.db2.gz BUYLOWQHIZKXAE-MUUNZHRXSA-N 1 2 541.099 6.066 40 0 KKABLO O[C@@H](COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000008627553 553104732 /nfs/dbraw/zinc/10/47/32/553104732.db2.gz KWBDNOAOXOMFHG-LLVKDONJSA-N 1 2 519.083 6.169 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3n2)c(C)c1 ZINC000008835488 553162116 /nfs/dbraw/zinc/16/21/16/553162116.db2.gz SJOLMIHWJQFCKS-UHFFFAOYSA-N 1 2 500.672 5.627 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)cc1 ZINC000008900380 553181327 /nfs/dbraw/zinc/18/13/27/553181327.db2.gz OLLWCPWYWVHMDM-UHFFFAOYSA-N 1 2 500.002 6.741 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)c(C)c1 ZINC000008900457 553181337 /nfs/dbraw/zinc/18/13/37/553181337.db2.gz TZUMLUCALLOCPE-UHFFFAOYSA-N 1 2 512.441 6.208 40 0 KKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 ZINC000012643632 553408743 /nfs/dbraw/zinc/40/87/43/553408743.db2.gz PRPPXYIWPDCPCZ-UHFFFAOYSA-N 1 2 502.024 6.391 40 0 KKABLO COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000012880166 553425248 /nfs/dbraw/zinc/42/52/48/553425248.db2.gz SBZODKGEUAZEFW-NDEPHWFRSA-N 1 2 516.667 5.244 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494696 553460267 /nfs/dbraw/zinc/46/02/67/553460267.db2.gz KLLSCKRWHYTMMG-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494696 553460269 /nfs/dbraw/zinc/46/02/69/553460269.db2.gz KLLSCKRWHYTMMG-HHHXNRCGSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494823 553460549 /nfs/dbraw/zinc/46/05/49/553460549.db2.gz VCVUQLDMEGJIPI-MUUNZHRXSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494823 553460551 /nfs/dbraw/zinc/46/05/51/553460551.db2.gz VCVUQLDMEGJIPI-MUUNZHRXSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494840 553460565 /nfs/dbraw/zinc/46/05/65/553460565.db2.gz AECPMXXMPHVVKW-LJAQVGFWSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494840 553460568 /nfs/dbraw/zinc/46/05/68/553460568.db2.gz AECPMXXMPHVVKW-LJAQVGFWSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495043 553461078 /nfs/dbraw/zinc/46/10/78/553461078.db2.gz NQUBSKHDDTXRLG-VWLOTQADSA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495043 553461080 /nfs/dbraw/zinc/46/10/80/553461080.db2.gz NQUBSKHDDTXRLG-VWLOTQADSA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494966 553461127 /nfs/dbraw/zinc/46/11/27/553461127.db2.gz RRUIQUUGJLPBSN-MHZLTWQESA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494966 553461129 /nfs/dbraw/zinc/46/11/29/553461129.db2.gz RRUIQUUGJLPBSN-MHZLTWQESA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495111 553461284 /nfs/dbraw/zinc/46/12/84/553461284.db2.gz HPXKKBWLOAMDPE-SANMLTNESA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495111 553461286 /nfs/dbraw/zinc/46/12/86/553461286.db2.gz HPXKKBWLOAMDPE-SANMLTNESA-N 1 2 500.647 5.490 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495061 553461300 /nfs/dbraw/zinc/46/13/00/553461300.db2.gz VVVOYBICOPQBHN-MHZLTWQESA-N 1 2 518.637 5.711 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495061 553461301 /nfs/dbraw/zinc/46/13/01/553461301.db2.gz VVVOYBICOPQBHN-MHZLTWQESA-N 1 2 518.637 5.711 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013495067 553461374 /nfs/dbraw/zinc/46/13/74/553461374.db2.gz QSHYZYNMSGNYMX-MUUNZHRXSA-N 1 2 526.616 5.254 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013495067 553461375 /nfs/dbraw/zinc/46/13/75/553461375.db2.gz QSHYZYNMSGNYMX-MUUNZHRXSA-N 1 2 526.616 5.254 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495245 553461999 /nfs/dbraw/zinc/46/19/99/553461999.db2.gz RJMAGAGISQUGGF-QHCPKHFHSA-N 1 2 516.646 5.159 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495245 553462000 /nfs/dbraw/zinc/46/20/00/553462000.db2.gz RJMAGAGISQUGGF-QHCPKHFHSA-N 1 2 516.646 5.159 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013495785 553462510 /nfs/dbraw/zinc/46/25/10/553462510.db2.gz PMQAZNIVEYAWCA-AREMUKBSSA-N 1 2 514.655 5.177 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013495785 553462513 /nfs/dbraw/zinc/46/25/13/553462513.db2.gz PMQAZNIVEYAWCA-AREMUKBSSA-N 1 2 514.655 5.177 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495776 553462577 /nfs/dbraw/zinc/46/25/77/553462577.db2.gz BVCPQMKBZZAQDZ-RUZDIDTESA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495776 553462579 /nfs/dbraw/zinc/46/25/79/553462579.db2.gz BVCPQMKBZZAQDZ-RUZDIDTESA-N 1 2 516.646 5.534 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499395 553465467 /nfs/dbraw/zinc/46/54/67/553465467.db2.gz HTQQJZGSHBZKPN-HSZRJFAPSA-N 1 2 520.659 5.006 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499395 553465470 /nfs/dbraw/zinc/46/54/70/553465470.db2.gz HTQQJZGSHBZKPN-HSZRJFAPSA-N 1 2 520.659 5.006 40 0 KKABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@H+](Cc2cccs2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000013500477 553466038 /nfs/dbraw/zinc/46/60/38/553466038.db2.gz SGQPHIPKCUFTPK-MHZLTWQESA-N 1 2 528.682 5.341 40 0 KKABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@@H+](Cc2cccs2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000013500477 553466040 /nfs/dbraw/zinc/46/60/40/553466040.db2.gz SGQPHIPKCUFTPK-MHZLTWQESA-N 1 2 528.682 5.341 40 0 KKABLO Fc1ccc(C2=CC[N@@H+]([C@H](c3nnnn3CCc3ccccc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000013561823 553471735 /nfs/dbraw/zinc/47/17/35/553471735.db2.gz LKOZNQQSRBIJLS-SANMLTNESA-N 1 2 507.535 5.952 40 0 KKABLO Fc1ccc(C2=CC[N@H+]([C@H](c3nnnn3CCc3ccccc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000013561823 553471737 /nfs/dbraw/zinc/47/17/37/553471737.db2.gz LKOZNQQSRBIJLS-SANMLTNESA-N 1 2 507.535 5.952 40 0 KKABLO CCOC(=O)c1c2c(sc1NC(=O)COc1nc3ccccc3s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000014162762 553505782 /nfs/dbraw/zinc/50/57/82/553505782.db2.gz WBGNNHKDTYAGLX-UHFFFAOYSA-N 1 2 507.637 5.110 40 0 KKABLO CCOC(=O)c1c2c(sc1NC(=O)COc1nc3ccccc3s1)C[N@H+](Cc1ccccc1)CC2 ZINC000014162762 553505783 /nfs/dbraw/zinc/50/57/83/553505783.db2.gz WBGNNHKDTYAGLX-UHFFFAOYSA-N 1 2 507.637 5.110 40 0 KKABLO Cc1ccc(C)c(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)c1 ZINC000016757995 553581287 /nfs/dbraw/zinc/58/12/87/553581287.db2.gz DPESAWIUNKZVPM-UHFFFAOYSA-N 1 2 500.465 7.759 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019941546 553644795 /nfs/dbraw/zinc/64/47/95/553644795.db2.gz HRDRCQGXKNTMNR-WJOKGBTCSA-N 1 2 532.692 6.163 40 0 KKABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019941546 553644797 /nfs/dbraw/zinc/64/47/97/553644797.db2.gz HRDRCQGXKNTMNR-WJOKGBTCSA-N 1 2 532.692 6.163 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972888 553649633 /nfs/dbraw/zinc/64/96/33/553649633.db2.gz GCTHGVORHLYHHV-SANMLTNESA-N 1 2 512.683 5.474 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972888 553649635 /nfs/dbraw/zinc/64/96/35/553649635.db2.gz GCTHGVORHLYHHV-SANMLTNESA-N 1 2 512.683 5.474 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972981 553650336 /nfs/dbraw/zinc/65/03/36/553650336.db2.gz DFPOLBYEGJMAEI-MHZLTWQESA-N 1 2 526.710 5.728 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000019972981 553650338 /nfs/dbraw/zinc/65/03/38/553650338.db2.gz DFPOLBYEGJMAEI-MHZLTWQESA-N 1 2 526.710 5.728 40 0 KKABLO COc1ccc([C@@H](CC(=O)c2ccccc2)N2CC[NH+]([C@H](CC(=O)c3ccccc3)c3ccc(OC)cc3)CC2)cc1 ZINC000022584775 553747502 /nfs/dbraw/zinc/74/75/02/553747502.db2.gz ZGOIXURTGVYPPF-KKLWWLSJSA-N 1 2 562.710 6.650 40 0 KKABLO CCOC(=O)c1c2c(sc1NC(=O)CCSc1[nH+]cnc3c1cnn3-c1ccccc1)CCCC2 ZINC000096305942 553749174 /nfs/dbraw/zinc/74/91/74/553749174.db2.gz ZEGTUVXSYVKZBB-UHFFFAOYSA-N 1 2 507.641 5.053 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Br)ccc4OC)cc3n2)cc1 ZINC000022832544 553755727 /nfs/dbraw/zinc/75/57/27/553755727.db2.gz AOYGLPKKZWTLFP-UHFFFAOYSA-N 1 2 508.420 5.599 40 0 KKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943194 553860736 /nfs/dbraw/zinc/86/07/36/553860736.db2.gz GAVTZEJQWZCSNN-GOSISDBHSA-N 1 2 501.841 6.729 40 0 KKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030943194 553860741 /nfs/dbraw/zinc/86/07/41/553860741.db2.gz GAVTZEJQWZCSNN-GOSISDBHSA-N 1 2 501.841 6.729 40 0 KKABLO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034930645 554033254 /nfs/dbraw/zinc/03/32/54/554033254.db2.gz IRQJPSIEYGADPC-WILXQHBCSA-N 1 2 536.760 6.301 40 0 KKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000044904207 554309806 /nfs/dbraw/zinc/30/98/06/554309806.db2.gz WPAOPSSLZAQGDA-UHFFFAOYSA-N 1 2 522.630 5.198 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000100372225 554357287 /nfs/dbraw/zinc/35/72/87/554357287.db2.gz ZVUBOWWEPSUNKN-GDLZYMKVSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000100372225 554357291 /nfs/dbraw/zinc/35/72/91/554357291.db2.gz ZVUBOWWEPSUNKN-GDLZYMKVSA-N 1 2 536.680 5.536 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640627 554360734 /nfs/dbraw/zinc/36/07/34/554360734.db2.gz YCIHYJFDGIPJPI-GDLZYMKVSA-N 1 2 522.653 5.287 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640627 554360735 /nfs/dbraw/zinc/36/07/35/554360735.db2.gz YCIHYJFDGIPJPI-GDLZYMKVSA-N 1 2 522.653 5.287 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640724 554361173 /nfs/dbraw/zinc/36/11/73/554361173.db2.gz QBKKJCSRWCPTJT-MHZLTWQESA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640724 554361175 /nfs/dbraw/zinc/36/11/75/554361175.db2.gz QBKKJCSRWCPTJT-MHZLTWQESA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641139 554361501 /nfs/dbraw/zinc/36/15/01/554361501.db2.gz HVZUUKHGUJJBIM-MHZLTWQESA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641139 554361504 /nfs/dbraw/zinc/36/15/04/554361504.db2.gz HVZUUKHGUJJBIM-MHZLTWQESA-N 1 2 516.646 5.191 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641273 554361905 /nfs/dbraw/zinc/36/19/05/554361905.db2.gz RJQBFHQDJVKZBP-RUZDIDTESA-N 1 2 532.620 5.084 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641273 554361902 /nfs/dbraw/zinc/36/19/02/554361902.db2.gz RJQBFHQDJVKZBP-RUZDIDTESA-N 1 2 532.620 5.084 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641701 554362622 /nfs/dbraw/zinc/36/26/22/554362622.db2.gz DMPVOISGRDVHDC-MHZLTWQESA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641701 554362618 /nfs/dbraw/zinc/36/26/18/554362618.db2.gz DMPVOISGRDVHDC-MHZLTWQESA-N 1 2 500.647 5.409 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641923 554362999 /nfs/dbraw/zinc/36/29/99/554362999.db2.gz CYZJIRBRNTWLOS-MUUNZHRXSA-N 1 2 528.607 5.611 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641923 554363001 /nfs/dbraw/zinc/36/30/01/554363001.db2.gz CYZJIRBRNTWLOS-MUUNZHRXSA-N 1 2 528.607 5.611 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641897 554363068 /nfs/dbraw/zinc/36/30/68/554363068.db2.gz BAYBZGKMHOBLMN-PMERELPUSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641897 554363071 /nfs/dbraw/zinc/36/30/71/554363071.db2.gz BAYBZGKMHOBLMN-PMERELPUSA-N 1 2 520.681 5.836 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641939 554363118 /nfs/dbraw/zinc/36/31/18/554363118.db2.gz SBKOJXHSOWSUAZ-LJAQVGFWSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641939 554363115 /nfs/dbraw/zinc/36/31/15/554363115.db2.gz SBKOJXHSOWSUAZ-LJAQVGFWSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642118 554363692 /nfs/dbraw/zinc/36/36/92/554363692.db2.gz QTJGRIXTRDJULD-MUUNZHRXSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642239 554363714 /nfs/dbraw/zinc/36/37/14/554363714.db2.gz BSEIUFMUPWSMOD-RUZDIDTESA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642118 554363695 /nfs/dbraw/zinc/36/36/95/554363695.db2.gz QTJGRIXTRDJULD-MUUNZHRXSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642239 554363712 /nfs/dbraw/zinc/36/37/12/554363712.db2.gz BSEIUFMUPWSMOD-RUZDIDTESA-N 1 2 528.657 5.519 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Br)cc4)cc3n2)c(C)c1 ZINC000059331867 554391976 /nfs/dbraw/zinc/39/19/76/554391976.db2.gz QDXSSXXSFRNGKR-UHFFFAOYSA-N 1 2 522.447 5.664 40 0 KKABLO COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2c(C)[nH+]c3ccccc32)c2cccc(C(F)(F)F)c2)cc1 ZINC000100442758 554393671 /nfs/dbraw/zinc/39/36/71/554393671.db2.gz JHRXJYFSEHDMFE-LJAQVGFWSA-N 1 2 564.608 6.205 40 0 KKABLO O=C(C[C@@H](c1ccccc1)N1CC[NH+]([C@@H](CC(=O)c2ccc(F)cc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000059662482 554420661 /nfs/dbraw/zinc/42/06/61/554420661.db2.gz IAJIYVYKANKEHQ-ACHIHNKUSA-N 1 2 538.638 6.911 40 0 KKABLO COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Oc1c3c(c(C)c(OC)c1C/C=C(\C)CCC(=O)OCC[NH+]1CCOCC1)COC3=O)C(=O)OC2 ZINC000067665229 554533711 /nfs/dbraw/zinc/53/37/11/554533711.db2.gz YUKLHGYCXXAVMN-ZPNKGADNSA-N 1 2 735.827 5.386 40 0 in-vitro KKABLO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101359723 554741808 /nfs/dbraw/zinc/74/18/08/554741808.db2.gz QPIBBDVPANURMU-JBXUNAHCSA-N 1 2 534.399 5.156 40 0 KKABLO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101359723 554741811 /nfs/dbraw/zinc/74/18/11/554741811.db2.gz QPIBBDVPANURMU-JBXUNAHCSA-N 1 2 534.399 5.156 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101589882 554802200 /nfs/dbraw/zinc/80/22/00/554802200.db2.gz QEIUSJDXKPHUDP-MIARMAKKSA-N 1 2 589.047 6.247 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101589882 554802204 /nfs/dbraw/zinc/80/22/04/554802204.db2.gz QEIUSJDXKPHUDP-MIARMAKKSA-N 1 2 589.047 6.247 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000102410440 554923430 /nfs/dbraw/zinc/92/34/30/554923430.db2.gz CSMVTMSJSPXXCQ-FJRZWRQDSA-N 1 2 553.768 9.623 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000102410440 554923434 /nfs/dbraw/zinc/92/34/34/554923434.db2.gz CSMVTMSJSPXXCQ-FJRZWRQDSA-N 1 2 553.768 9.623 40 0 KKABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)[N@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000102550089 554961350 /nfs/dbraw/zinc/96/13/50/554961350.db2.gz PKHULJNYASEEFZ-VKONIRKNSA-N 1 2 556.618 5.543 40 0 KKABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)[N@@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000102550089 554961351 /nfs/dbraw/zinc/96/13/51/554961351.db2.gz PKHULJNYASEEFZ-VKONIRKNSA-N 1 2 556.618 5.543 40 0 KKABLO Cc1cccc2c1NC(=O)[C@@]21[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000102765321 555054671 /nfs/dbraw/zinc/05/46/71/555054671.db2.gz JRJCDJXJYQTVKJ-NWROUFAOSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1cccc2c1NC(=O)[C@@]21[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000102765321 555054675 /nfs/dbraw/zinc/05/46/75/555054675.db2.gz JRJCDJXJYQTVKJ-NWROUFAOSA-N 1 2 532.427 5.316 40 0 KKABLO CCCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(c3ccccc3NC2=O)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000103312200 555358044 /nfs/dbraw/zinc/35/80/44/555358044.db2.gz BDZPJTAIFCPYQM-MIARMAKKSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(c3ccccc3NC2=O)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000103312200 555358046 /nfs/dbraw/zinc/35/80/46/555358046.db2.gz BDZPJTAIFCPYQM-MIARMAKKSA-N 1 2 555.634 5.852 40 0 KKABLO CCCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103312185 555358050 /nfs/dbraw/zinc/35/80/50/555358050.db2.gz NVJWCKGKRXFPBN-AXXJGTDDSA-N 1 2 589.091 7.111 40 0 KKABLO CCCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103312185 555358053 /nfs/dbraw/zinc/35/80/53/555358053.db2.gz NVJWCKGKRXFPBN-AXXJGTDDSA-N 1 2 589.091 7.111 40 0 KKABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000103510331 555421955 /nfs/dbraw/zinc/42/19/55/555421955.db2.gz SQXOXQDFBMILLG-VTMRUAGOSA-N 1 2 540.619 5.843 40 0 KKABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000103510331 555421958 /nfs/dbraw/zinc/42/19/58/555421958.db2.gz SQXOXQDFBMILLG-VTMRUAGOSA-N 1 2 540.619 5.843 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103519323 555424908 /nfs/dbraw/zinc/42/49/08/555424908.db2.gz YDZOTJGZNGXXPI-ACZXLBTNSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103519323 555424909 /nfs/dbraw/zinc/42/49/09/555424909.db2.gz YDZOTJGZNGXXPI-ACZXLBTNSA-N 1 2 591.063 6.339 40 0 KKABLO COc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000103522146 555426956 /nfs/dbraw/zinc/42/69/56/555426956.db2.gz LOLZTPKNQFAKPE-YCHSVXFSSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000103522146 555426958 /nfs/dbraw/zinc/42/69/58/555426958.db2.gz LOLZTPKNQFAKPE-YCHSVXFSSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103527876 555429321 /nfs/dbraw/zinc/42/93/21/555429321.db2.gz VEKHKYBLKOUQSN-NGTMZHBCSA-N 1 2 595.482 6.984 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103527876 555429324 /nfs/dbraw/zinc/42/93/24/555429324.db2.gz VEKHKYBLKOUQSN-NGTMZHBCSA-N 1 2 595.482 6.984 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)cc1OC ZINC000103527945 555429359 /nfs/dbraw/zinc/42/93/59/555429359.db2.gz JHARCBVMTBBHAN-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)cc1OC ZINC000103527945 555429360 /nfs/dbraw/zinc/42/93/60/555429360.db2.gz JHARCBVMTBBHAN-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103529556 555429908 /nfs/dbraw/zinc/42/99/08/555429908.db2.gz MCLUGWMIYDFSRB-GCZHVTBPSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103529556 555429910 /nfs/dbraw/zinc/42/99/10/555429910.db2.gz MCLUGWMIYDFSRB-GCZHVTBPSA-N 1 2 561.037 6.330 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103529817 555430306 /nfs/dbraw/zinc/43/03/06/555430306.db2.gz TXVNHDUTJPUEOX-GCZHVTBPSA-N 1 2 595.482 6.984 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103529817 555430307 /nfs/dbraw/zinc/43/03/07/555430307.db2.gz TXVNHDUTJPUEOX-GCZHVTBPSA-N 1 2 595.482 6.984 40 0 KKABLO COc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(OC(C)=O)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103530456 555430855 /nfs/dbraw/zinc/43/08/55/555430855.db2.gz UNTDOAXQRNACSU-RFMPLWHVSA-N 1 2 584.628 5.602 40 0 KKABLO COc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(OC(C)=O)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103530456 555430859 /nfs/dbraw/zinc/43/08/59/555430859.db2.gz UNTDOAXQRNACSU-RFMPLWHVSA-N 1 2 584.628 5.602 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccccc2Cl)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103531748 555431809 /nfs/dbraw/zinc/43/18/09/555431809.db2.gz OJMYCQKZQFOINS-GYEXEWKGSA-N 1 2 575.064 6.720 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccccc2Cl)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103531748 555431814 /nfs/dbraw/zinc/43/18/14/555431814.db2.gz OJMYCQKZQFOINS-GYEXEWKGSA-N 1 2 575.064 6.720 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103532154 555432456 /nfs/dbraw/zinc/43/24/56/555432456.db2.gz QHQGFFQVGDYKFW-WWYHPTGPSA-N 1 2 614.654 5.611 40 0 KKABLO COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103532154 555432461 /nfs/dbraw/zinc/43/24/61/555432461.db2.gz QHQGFFQVGDYKFW-WWYHPTGPSA-N 1 2 614.654 5.611 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103533433 555433741 /nfs/dbraw/zinc/43/37/41/555433741.db2.gz YKFUPMVNJQQBKK-XKEBTDTJSA-N 1 2 584.628 5.796 40 0 KKABLO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103533433 555433742 /nfs/dbraw/zinc/43/37/42/555433742.db2.gz YKFUPMVNJQQBKK-XKEBTDTJSA-N 1 2 584.628 5.796 40 0 KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103533922 555433928 /nfs/dbraw/zinc/43/39/28/555433928.db2.gz OMPBQKVPXHDZAL-PWCMIJAKSA-N 1 2 566.872 5.970 40 0 KKABLO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103533922 555433933 /nfs/dbraw/zinc/43/39/33/555433933.db2.gz OMPBQKVPXHDZAL-PWCMIJAKSA-N 1 2 566.872 5.970 40 0 KKABLO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000103536973 555436419 /nfs/dbraw/zinc/43/64/19/555436419.db2.gz VUIKFZDLADUMFA-JTVNFJCOSA-N 1 2 566.872 5.970 40 0 KKABLO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000103536973 555436424 /nfs/dbraw/zinc/43/64/24/555436424.db2.gz VUIKFZDLADUMFA-JTVNFJCOSA-N 1 2 566.872 5.970 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103561911 555449199 /nfs/dbraw/zinc/44/91/99/555449199.db2.gz SACHLSJCRCWLQK-MIPYOGIXSA-N 1 2 594.589 6.554 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103561911 555449202 /nfs/dbraw/zinc/44/92/02/555449202.db2.gz SACHLSJCRCWLQK-MIPYOGIXSA-N 1 2 594.589 6.554 40 0 KKABLO COc1ccc([C@@H]([NH2+]Cc2ccccc2)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000103616185 555456271 /nfs/dbraw/zinc/45/62/71/555456271.db2.gz MTRCMXSXBNSWIM-LIWFBSEBSA-N 1 2 583.794 9.632 40 0 KKABLO COc1ccc([C@@H]([NH2+]Cc2ccccc2)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000103616185 555456276 /nfs/dbraw/zinc/45/62/76/555456276.db2.gz MTRCMXSXBNSWIM-LIWFBSEBSA-N 1 2 583.794 9.632 40 0 KKABLO Cn1cc(-c2cc3cnc(Nc4ccc(-c5c[nH+]cn5C)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1 ZINC000098209599 562806094 /nfs/dbraw/zinc/80/60/94/562806094.db2.gz BXKNUXDLZJPPBO-UHFFFAOYSA-N 1 2 503.994 6.018 40 0 in-vitro KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288122 571361487 /nfs/dbraw/zinc/36/14/87/571361487.db2.gz WSIZNCCWQBZODB-YUIGLEDNSA-N 1 2 584.672 6.466 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288122 571361488 /nfs/dbraw/zinc/36/14/88/571361488.db2.gz WSIZNCCWQBZODB-YUIGLEDNSA-N 1 2 584.672 6.466 40 0 KKABLO O=C(c1cc2ccccc2o1)[C@H]1[C@H](C(=O)c2ccccc2Cl)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103528031 571361718 /nfs/dbraw/zinc/36/17/18/571361718.db2.gz KFHVULANIPBEHT-GYEXEWKGSA-N 1 2 571.032 7.068 40 0 KKABLO O=C(c1cc2ccccc2o1)[C@H]1[C@H](C(=O)c2ccccc2Cl)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103528031 571361719 /nfs/dbraw/zinc/36/17/19/571361719.db2.gz KFHVULANIPBEHT-GYEXEWKGSA-N 1 2 571.032 7.068 40 0 KKABLO c1ccc(C2=CN(C3CCCCCCCCCCC3)[C@](c3ccccc3)(C3CCCCCCCCCCC3)C=[NH+]2)cc1 ZINC000103835648 571362255 /nfs/dbraw/zinc/36/22/55/571362255.db2.gz XBSOEZUSRRCCFN-FAIXQHPJSA-N 1 2 566.918 11.861 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000104105230 571373988 /nfs/dbraw/zinc/37/39/88/571373988.db2.gz XTCJKEOGQONHSE-GYEXEWKGSA-N 1 2 556.618 5.686 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000104105230 571373990 /nfs/dbraw/zinc/37/39/90/571373990.db2.gz XTCJKEOGQONHSE-GYEXEWKGSA-N 1 2 556.618 5.686 40 0 KKABLO CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000104403712 571380215 /nfs/dbraw/zinc/38/02/15/571380215.db2.gz PQTVQSUSGQKDNR-UHFFFAOYSA-N 1 2 554.137 5.479 40 0 KKABLO CN(c1ccc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000104404081 571380328 /nfs/dbraw/zinc/38/03/28/571380328.db2.gz BHTDTGWAOFMZRP-UHFFFAOYSA-N 1 2 584.561 5.447 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 ZINC000105313836 571398148 /nfs/dbraw/zinc/39/81/48/571398148.db2.gz RPMYFTFLQFIOBJ-UHFFFAOYSA-N 1 2 534.689 6.369 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc5c(Br)cccc45)cc3n2)c(C)c1 ZINC000105314139 571398218 /nfs/dbraw/zinc/39/82/18/571398218.db2.gz YKSMYAOGBMNJAW-UHFFFAOYSA-N 1 2 601.574 6.926 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4c(OC)cccc4OC)cc3n2)c(C)c1 ZINC000105314175 571398230 /nfs/dbraw/zinc/39/82/30/571398230.db2.gz QJOXQZYHTFPYLP-UHFFFAOYSA-N 1 2 532.670 5.028 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Br)cc4)cc3n2)c(C)c1 ZINC000105313939 571398232 /nfs/dbraw/zinc/39/82/32/571398232.db2.gz DFSYHWJVZMYHIE-UHFFFAOYSA-N 1 2 551.514 5.773 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Br)cc(C)c4OC)cc3n2)c(C)c1 ZINC000105314178 571398256 /nfs/dbraw/zinc/39/82/56/571398256.db2.gz ZCEQBMJEOUBDPW-UHFFFAOYSA-N 1 2 595.567 6.090 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)c(C)c1 ZINC000105314159 571398260 /nfs/dbraw/zinc/39/82/60/571398260.db2.gz NZCWXIRJGHQBTH-UHFFFAOYSA-N 1 2 578.742 6.589 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c(OC)c4)cc3n2)c(C)c1 ZINC000105313952 571398279 /nfs/dbraw/zinc/39/82/79/571398279.db2.gz XHVNDZMEIRIGOE-UHFFFAOYSA-N 1 2 532.670 5.028 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3n2)cc1 ZINC000105320861 571402355 /nfs/dbraw/zinc/40/23/55/571402355.db2.gz MCUOYEDVCFZZOV-UHFFFAOYSA-N 1 2 534.447 7.394 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)c(C)c1 ZINC000105320979 571402457 /nfs/dbraw/zinc/40/24/57/571402457.db2.gz BGOPKCVMDJYSOD-DTQAZKPQSA-N 1 2 540.067 7.449 40 0 KKABLO O=C1C[C@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000105330959 571403342 /nfs/dbraw/zinc/40/33/42/571403342.db2.gz DGEQJVDUVOMLKT-DEOSSOPVSA-N 1 2 529.509 5.023 40 0 KKABLO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000140141471 571455506 /nfs/dbraw/zinc/45/55/06/571455506.db2.gz HFLFEVOGQOZHEJ-UHFFFAOYSA-N 1 2 571.102 6.160 40 0 KKABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224185731 571492709 /nfs/dbraw/zinc/49/27/09/571492709.db2.gz MPHRSEOETNXEDV-UHFFFAOYSA-N 1 2 516.638 5.258 40 0 KKABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1C(C)C ZINC000224234209 571502859 /nfs/dbraw/zinc/50/28/59/571502859.db2.gz QDIIPGVSHSBTLQ-UHFFFAOYSA-N 1 2 502.611 5.084 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Br)cc(Br)c4OC)cc3n2)c(C)c1 ZINC000161957547 571531809 /nfs/dbraw/zinc/53/18/09/571531809.db2.gz VMLCZKRKNKSJNX-UHFFFAOYSA-N 1 2 660.436 6.544 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224547611 571571843 /nfs/dbraw/zinc/57/18/43/571571843.db2.gz NHQJYNMCAIHFKO-UHFFFAOYSA-N 1 2 523.029 5.313 40 0 KKABLO COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3c2)cc1C ZINC000215870397 571586500 /nfs/dbraw/zinc/58/65/00/571586500.db2.gz IIQRYAUGVDUOCW-UHFFFAOYSA-N 1 2 625.816 6.591 40 0 KKABLO COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000215876318 571586584 /nfs/dbraw/zinc/58/65/84/571586584.db2.gz MKXBYZWLXCPTAT-UHFFFAOYSA-N 1 2 625.816 6.591 40 0 KKABLO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000216526756 571597616 /nfs/dbraw/zinc/59/76/16/571597616.db2.gz NYEABSGOZCYCKS-VMPITWQZSA-N 1 2 630.210 6.280 40 0 KKABLO COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2)cc1 ZINC000224747583 571613425 /nfs/dbraw/zinc/61/34/25/571613425.db2.gz FXUBMYMMAIWNBL-AJQTZOPKSA-N 1 2 561.711 6.916 40 0 KKABLO O=C(c1ccccc1-c1ncc(-c2cccc(Br)c2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224955204 571633475 /nfs/dbraw/zinc/63/34/75/571633475.db2.gz VXQKQLCBQKCJTG-UHFFFAOYSA-N 1 2 546.421 5.458 40 0 KKABLO O=C(c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224964065 571634510 /nfs/dbraw/zinc/63/45/10/571634510.db2.gz DREJKEIBRSMMTC-UHFFFAOYSA-N 1 2 501.970 5.349 40 0 KKABLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000225276019 571665550 /nfs/dbraw/zinc/66/55/50/571665550.db2.gz AWSVVYWLADYVMC-URLMMPGGSA-N 1 2 540.693 5.009 40 0 KKABLO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)c2)cc1 ZINC000225583804 571942313 /nfs/dbraw/zinc/94/23/13/571942313.db2.gz VAUMGIBYLAUFNR-UHFFFAOYSA-N 1 2 507.049 6.858 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)cc1 ZINC000225616715 571967034 /nfs/dbraw/zinc/96/70/34/571967034.db2.gz GSKRTGMPQDWHNK-IZLXSDGUSA-N 1 2 528.657 5.079 40 0 KKABLO CCCCCCOc1ccccc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCCCC)n[n+]21 ZINC000261362334 572104204 /nfs/dbraw/zinc/10/42/04/572104204.db2.gz CYISPEWUBVDORS-MHZLTWQESA-O 1 2 507.680 5.901 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000261363576 572105336 /nfs/dbraw/zinc/10/53/36/572105336.db2.gz HPQYOXLOWZEUAN-VWLOTQADSA-O 1 2 508.023 5.774 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000261365172 572107164 /nfs/dbraw/zinc/10/71/64/572107164.db2.gz QOTNZMIPMNLXBS-NRFANRHFSA-O 1 2 510.441 5.154 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(OC(C)=O)ccc2ccccc21 ZINC000261365051 572107279 /nfs/dbraw/zinc/10/72/79/572107279.db2.gz PQAHPIYOIZJKTR-HHHXNRCGSA-O 1 2 515.615 5.021 40 0 KKABLO O=c1[nH]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000261365048 572107371 /nfs/dbraw/zinc/10/73/71/572107371.db2.gz PPWZRIDWRGJOQT-XMMPIXPASA-O 1 2 500.007 5.445 40 0 KKABLO COc1cc(OC)c([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)c(OC)c1 ZINC000261365943 572108519 /nfs/dbraw/zinc/10/85/19/572108519.db2.gz WJVLKIOHTHJIGC-HHHXNRCGSA-O 1 2 566.059 5.022 40 0 KKABLO COc1ccc2ccccc2c1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]21 ZINC000261366314 572108982 /nfs/dbraw/zinc/10/89/82/572108982.db2.gz YTOOXAKCTZPFLU-LJAQVGFWSA-O 1 2 556.067 6.158 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000261366234 572109092 /nfs/dbraw/zinc/10/90/92/572109092.db2.gz YEFJFUFPLMCCRU-VWLOTQADSA-O 1 2 541.575 6.221 40 0 KKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccc(Br)cc3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000328982049 572147270 /nfs/dbraw/zinc/14/72/70/572147270.db2.gz GXPLGIHVGDIUGE-UHFFFAOYSA-N 1 2 521.381 6.005 40 0 KKABLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000231430099 572187012 /nfs/dbraw/zinc/18/70/12/572187012.db2.gz FBXNJQZPIMPEKC-UHFFFAOYSA-N 1 2 500.664 5.725 40 0 KKABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1ccccc1 ZINC000408562370 572248855 /nfs/dbraw/zinc/24/88/55/572248855.db2.gz ZJYFCMOODYZUTG-UHFFFAOYSA-N 1 2 555.700 5.434 40 0 KKABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408587734 572266588 /nfs/dbraw/zinc/26/65/88/572266588.db2.gz CAVNYARUQUGTPF-QPJJXVBHSA-N 1 2 560.503 5.031 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2c(Cl)cccc2Cl)cc1 ZINC000408624292 572282956 /nfs/dbraw/zinc/28/29/56/572282956.db2.gz SDIAXQSGOUEDAF-RMKNXTFCSA-N 1 2 572.558 5.350 40 0 KKABLO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408626969 572284281 /nfs/dbraw/zinc/28/42/81/572284281.db2.gz YRAONXNIPCPMDU-JXMROGBWSA-N 1 2 578.056 5.412 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1nc3ccc(Cl)cc3s1)CC2 ZINC000257204194 572306694 /nfs/dbraw/zinc/30/66/94/572306694.db2.gz ATLJHSOVUGJVFF-UHFFFAOYSA-N 1 2 567.564 5.497 40 0 KKABLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@]4(CN(S(=O)(=O)c5ccc(C)cc5)[C@@H](CC(C)C)CO4)C3)c2)cs1 ZINC000257210570 572307258 /nfs/dbraw/zinc/30/72/58/572307258.db2.gz BVERVFZUTDLKEB-JTSJOTPCSA-N 1 2 596.819 5.336 40 0 KKABLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@]4(CN(S(=O)(=O)c5ccc(C)cc5)[C@@H](CC(C)C)CO4)C3)c2)cs1 ZINC000257210570 572307259 /nfs/dbraw/zinc/30/72/59/572307259.db2.gz BVERVFZUTDLKEB-JTSJOTPCSA-N 1 2 596.819 5.336 40 0 KKABLO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(CN(CCC[NH+]3CCOCC3)Cc3cccc(Cl)c3)cc1OC2(C)C ZINC000257251418 572311196 /nfs/dbraw/zinc/31/11/96/572311196.db2.gz JQRSORMZKCEFMV-STODOFRLSA-N 1 2 619.246 7.671 40 0 KKABLO CCCCOc1ccc(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)c4cccc(Cl)c4)C(C)(C)C3)CC2)cc1 ZINC000257304898 572316328 /nfs/dbraw/zinc/31/63/28/572316328.db2.gz SNOMGMHSYRHZCI-UHFFFAOYSA-N 1 2 548.149 5.413 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2Cl)C1 ZINC000257309927 572316918 /nfs/dbraw/zinc/31/69/18/572316918.db2.gz UCXZGFZVAUEDRU-JWQCQUIFSA-N 1 2 518.963 5.743 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(C(F)(F)F)cc2)Cc2ccccc2Cl)C1 ZINC000257309927 572316919 /nfs/dbraw/zinc/31/69/19/572316919.db2.gz UCXZGFZVAUEDRU-JWQCQUIFSA-N 1 2 518.963 5.743 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408920992 1070228422 /nfs/dbraw/zinc/22/84/22/1070228422.db2.gz QLNOICRWTZNCNR-UHFFFAOYSA-N 1 2 643.131 6.730 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)cc1OC ZINC000104121956 1070935467 /nfs/dbraw/zinc/93/54/67/1070935467.db2.gz JDYLPBHLJDLZSD-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)cc1OC ZINC000104121956 1070935483 /nfs/dbraw/zinc/93/54/83/1070935483.db2.gz JDYLPBHLJDLZSD-YCHSVXFSSA-N 1 2 557.606 5.081 40 0 KKABLO CC(C)[C@@H]1C[C@H](c2ccccc2Cl)CO[C@H]1c1cccc(OCC(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000585294490 1071043365 /nfs/dbraw/zinc/04/33/65/1071043365.db2.gz GVKVWDXNQUNRQR-NEEWURRISA-N 1 2 530.068 7.061 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408926139 1071075438 /nfs/dbraw/zinc/07/54/38/1071075438.db2.gz PGGXKPMLHFJIAN-UHFFFAOYSA-N 1 2 609.579 6.364 40 0 KKABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408920794 1071098332 /nfs/dbraw/zinc/09/83/32/1071098332.db2.gz NFJBMHDSXKGQPY-UHFFFAOYSA-N 1 2 558.679 5.197 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370224 1071307059 /nfs/dbraw/zinc/30/70/59/1071307059.db2.gz GATDCOANDSLCMG-XKEBTDTJSA-N 1 2 589.091 7.109 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370224 1071307078 /nfs/dbraw/zinc/30/70/78/1071307078.db2.gz GATDCOANDSLCMG-XKEBTDTJSA-N 1 2 589.091 7.109 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000150510312 1071327620 /nfs/dbraw/zinc/32/76/20/1071327620.db2.gz PNUXIBNCEKCHLP-HPLSSJBTSA-N 1 2 624.922 6.840 40 0 KKABLO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000150510312 1071327640 /nfs/dbraw/zinc/32/76/40/1071327640.db2.gz PNUXIBNCEKCHLP-HPLSSJBTSA-N 1 2 624.922 6.840 40 0 KKABLO O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408704473 1071439208 /nfs/dbraw/zinc/43/92/08/1071439208.db2.gz NYBZGTCKEKKNAG-YVAMQYLASA-N 1 2 532.109 5.585 40 0 KKABLO CCN(c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408701607 1071451302 /nfs/dbraw/zinc/45/13/02/1071451302.db2.gz AZAAATHCLQQVNO-JXMROGBWSA-N 1 2 535.735 5.095 40 0 KKABLO CCCN(c1ccc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408713628 1071478629 /nfs/dbraw/zinc/47/86/29/1071478629.db2.gz SUGRCYZURNDBGA-UHFFFAOYSA-N 1 2 623.844 7.362 40 0 KKABLO C[C@H]1Cc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2N1C(=O)c1ccccc1 ZINC000408713560 1071480019 /nfs/dbraw/zinc/48/00/19/1071480019.db2.gz HZBSITYFKMZSJK-VWLOTQADSA-N 1 2 551.712 5.374 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408994371 1071558434 /nfs/dbraw/zinc/55/84/34/1071558434.db2.gz ZCJWUQXZFVUVRP-QFIPXVFZSA-N 1 2 506.455 5.820 40 0 KKABLO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C(C)C)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408987691 1071610824 /nfs/dbraw/zinc/61/08/24/1071610824.db2.gz GIVAXPXZLYXKKD-HSZRJFAPSA-N 1 2 520.482 6.326 40 0 KKABLO Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)cc1C ZINC000408748672 1071689357 /nfs/dbraw/zinc/68/93/57/1071689357.db2.gz GGZWKTTYUCNMJD-UHFFFAOYSA-N 1 2 573.744 5.284 40 0 KKABLO CC(=O)N1CCN(c2ccc(Oc3cc(N4CCN(C(C)=O)CC4)ccc3C[C@@H]3CO[C@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC001570003328 1073197824 /nfs/dbraw/zinc/19/78/24/1073197824.db2.gz YMSULVZZXKFFSL-BYYXFNHRSA-N 1 2 733.697 5.830 40 0 KKABLO COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 ZINC000000929213 551581262 /nfs/dbraw/zinc/58/12/62/551581262.db2.gz HBGVLJFBVXVPNM-UHFFFAOYSA-N 1 2 552.100 5.335 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001338030 551646388 /nfs/dbraw/zinc/64/63/88/551646388.db2.gz WGMSNZSTIOURQY-DEOSSOPVSA-N 1 2 546.628 5.036 40 0 KKABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001338030 551646391 /nfs/dbraw/zinc/64/63/91/551646391.db2.gz WGMSNZSTIOURQY-DEOSSOPVSA-N 1 2 546.628 5.036 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374178 551653046 /nfs/dbraw/zinc/65/30/46/551653046.db2.gz AOXBXUQBSLWZJF-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374178 551653048 /nfs/dbraw/zinc/65/30/48/551653048.db2.gz AOXBXUQBSLWZJF-MUUNZHRXSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374201 551653060 /nfs/dbraw/zinc/65/30/60/551653060.db2.gz WTCQANNEUZZZMV-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374201 551653061 /nfs/dbraw/zinc/65/30/61/551653061.db2.gz WTCQANNEUZZZMV-NDEPHWFRSA-N 1 2 508.626 5.033 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374217 551653472 /nfs/dbraw/zinc/65/34/72/551653472.db2.gz YBOHXFOJWBNMIU-AREMUKBSSA-N 1 2 514.655 5.095 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374217 551653474 /nfs/dbraw/zinc/65/34/74/551653474.db2.gz YBOHXFOJWBNMIU-AREMUKBSSA-N 1 2 514.655 5.095 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374274 551653484 /nfs/dbraw/zinc/65/34/84/551653484.db2.gz CUSRTKVWEGVVKZ-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374274 551653485 /nfs/dbraw/zinc/65/34/85/551653485.db2.gz CUSRTKVWEGVVKZ-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374206 551653526 /nfs/dbraw/zinc/65/35/26/551653526.db2.gz XPYURUBDVKARDS-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374206 551653527 /nfs/dbraw/zinc/65/35/27/551653527.db2.gz XPYURUBDVKARDS-MUUNZHRXSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374580 551654419 /nfs/dbraw/zinc/65/44/19/551654419.db2.gz UYPXNLXMMYNLCS-NDEPHWFRSA-N 1 2 526.616 5.059 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374580 551654421 /nfs/dbraw/zinc/65/44/21/551654421.db2.gz UYPXNLXMMYNLCS-NDEPHWFRSA-N 1 2 526.616 5.059 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375139 551656277 /nfs/dbraw/zinc/65/62/77/551656277.db2.gz RBWNAWJXCVXGPY-SANMLTNESA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375139 551656279 /nfs/dbraw/zinc/65/62/79/551656279.db2.gz RBWNAWJXCVXGPY-SANMLTNESA-N 1 2 516.646 5.534 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375070 551656319 /nfs/dbraw/zinc/65/63/19/551656319.db2.gz XGTWEPBSTGXWEF-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375070 551656323 /nfs/dbraw/zinc/65/63/23/551656323.db2.gz XGTWEPBSTGXWEF-GDLZYMKVSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375285 551656553 /nfs/dbraw/zinc/65/65/53/551656553.db2.gz KXHBYZAPCTZQST-NDEPHWFRSA-N 1 2 566.662 5.071 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375285 551656555 /nfs/dbraw/zinc/65/65/55/551656555.db2.gz KXHBYZAPCTZQST-NDEPHWFRSA-N 1 2 566.662 5.071 40 0 KKABLO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000002407944 552112859 /nfs/dbraw/zinc/11/28/59/552112859.db2.gz CMQFWLSIKUZOSE-ZYQDXHPFSA-N 1 2 534.399 5.156 40 0 KKABLO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000002407944 552112862 /nfs/dbraw/zinc/11/28/62/552112862.db2.gz CMQFWLSIKUZOSE-ZYQDXHPFSA-N 1 2 534.399 5.156 40 0 KKABLO CC1(C)O[C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](c3c[nH]c4c3[nH+]cnc4N)[C@@H]2O1 ZINC000005733219 552508147 /nfs/dbraw/zinc/50/81/47/552508147.db2.gz GDNMIKWGAZAXPK-XDUYTMKBSA-N 1 2 548.643 5.509 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149140 552549951 /nfs/dbraw/zinc/54/99/51/552549951.db2.gz UDFWUJOZCCQEEB-GDLZYMKVSA-N 1 2 538.671 5.942 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006149140 552549952 /nfs/dbraw/zinc/54/99/52/552549952.db2.gz UDFWUJOZCCQEEB-GDLZYMKVSA-N 1 2 538.671 5.942 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321021 552580784 /nfs/dbraw/zinc/58/07/84/552580784.db2.gz SASOMMWUYCGPBD-LJAQVGFWSA-N 1 2 510.686 5.681 40 0 KKABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006321151 552581073 /nfs/dbraw/zinc/58/10/73/552581073.db2.gz JZVFSBCUQAQLQY-HKBQPEDESA-N 1 2 548.691 5.232 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321078 552581096 /nfs/dbraw/zinc/58/10/96/552581096.db2.gz IUHCBHIBCSWZMU-IZEXYCQBSA-N 1 2 548.691 5.145 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000006321078 552581097 /nfs/dbraw/zinc/58/10/97/552581097.db2.gz IUHCBHIBCSWZMU-IZEXYCQBSA-N 1 2 548.691 5.145 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc12 ZINC000006405554 552582217 /nfs/dbraw/zinc/58/22/17/552582217.db2.gz IGRXOGUSSFSIRH-JGCGQSQUSA-N 1 2 546.719 6.471 40 0 KKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc12 ZINC000006405554 552582218 /nfs/dbraw/zinc/58/22/18/552582218.db2.gz IGRXOGUSSFSIRH-JGCGQSQUSA-N 1 2 546.719 6.471 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006409000 552583174 /nfs/dbraw/zinc/58/31/74/552583174.db2.gz FDHTXPWYCWWALW-SSEXGKCCSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000006409000 552583175 /nfs/dbraw/zinc/58/31/75/552583175.db2.gz FDHTXPWYCWWALW-SSEXGKCCSA-N 1 2 536.655 5.912 40 0 KKABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000006442589 552584932 /nfs/dbraw/zinc/58/49/32/552584932.db2.gz MNEZKAHKPCWRTO-SSEXGKCCSA-N 1 2 518.665 5.224 40 0 KKABLO CCOC(=O)[C@](C)([NH3+])Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 ZINC000008214387 552984340 /nfs/dbraw/zinc/98/43/40/552984340.db2.gz LWZCMKGGFONJPB-GOSISDBHSA-N 1 2 818.953 5.426 40 0 in-man KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000008835484 553162123 /nfs/dbraw/zinc/16/21/23/553162123.db2.gz JEWUJQUWNDOHPS-UHFFFAOYSA-N 1 2 507.063 5.664 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 ZINC000008900369 553181317 /nfs/dbraw/zinc/18/13/17/553181317.db2.gz DFQMJHPUSVPKBZ-UHFFFAOYSA-N 1 2 500.002 6.741 40 0 KKABLO O=C(Oc1ccc(-c2[nH+]c(-c3ccccc3)c3ccccn32)cc1)N1c2ccccc2Sc2ccccc21 ZINC000012249762 553355467 /nfs/dbraw/zinc/35/54/67/553355467.db2.gz YPCOCLLBFGPRLO-UHFFFAOYSA-N 1 2 511.606 8.470 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494762 553460654 /nfs/dbraw/zinc/46/06/54/553460654.db2.gz GEHURXLPGNQTEY-NDEPHWFRSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494762 553460655 /nfs/dbraw/zinc/46/06/55/553460655.db2.gz GEHURXLPGNQTEY-NDEPHWFRSA-N 1 2 522.653 5.342 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495012 553461146 /nfs/dbraw/zinc/46/11/46/553461146.db2.gz PLFZCAPYYHKEDQ-MUUNZHRXSA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495012 553461148 /nfs/dbraw/zinc/46/11/48/553461148.db2.gz PLFZCAPYYHKEDQ-MUUNZHRXSA-N 1 2 510.617 5.358 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495057 553461353 /nfs/dbraw/zinc/46/13/53/553461353.db2.gz HZATXZILTIYBMB-SANMLTNESA-N 1 2 504.610 5.321 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495057 553461354 /nfs/dbraw/zinc/46/13/54/553461354.db2.gz HZATXZILTIYBMB-SANMLTNESA-N 1 2 504.610 5.321 40 0 KKABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498684 553464779 /nfs/dbraw/zinc/46/47/79/553464779.db2.gz LYMYTKBEQZZGKV-MHZLTWQESA-N 1 2 528.682 5.227 40 0 KKABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498684 553464781 /nfs/dbraw/zinc/46/47/81/553464781.db2.gz LYMYTKBEQZZGKV-MHZLTWQESA-N 1 2 528.682 5.227 40 0 KKABLO COc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498731 553464840 /nfs/dbraw/zinc/46/48/40/553464840.db2.gz WEBTXJCNOFYUTN-HHHXNRCGSA-N 1 2 500.647 5.428 40 0 KKABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498731 553464842 /nfs/dbraw/zinc/46/48/42/553464842.db2.gz WEBTXJCNOFYUTN-HHHXNRCGSA-N 1 2 500.647 5.428 40 0 KKABLO O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014155788 553505368 /nfs/dbraw/zinc/50/53/68/553505368.db2.gz VADGBLLGKDACDW-UHFFFAOYSA-N 1 2 511.647 5.035 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4Cl)cc3n2)c(C)c1 ZINC000014275835 553508962 /nfs/dbraw/zinc/50/89/62/553508962.db2.gz WQAFIDWRTQXDJS-UHFFFAOYSA-N 1 2 507.063 5.664 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941326 553643492 /nfs/dbraw/zinc/64/34/92/553643492.db2.gz JXHUGABEXOUJRK-PMERELPUSA-N 1 2 518.665 5.772 40 0 KKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941326 553643494 /nfs/dbraw/zinc/64/34/94/553643494.db2.gz JXHUGABEXOUJRK-PMERELPUSA-N 1 2 518.665 5.772 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941391 553643880 /nfs/dbraw/zinc/64/38/80/553643880.db2.gz JETVKRZECUIWHS-SSEXGKCCSA-N 1 2 534.708 6.056 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000019941391 553643882 /nfs/dbraw/zinc/64/38/82/553643882.db2.gz JETVKRZECUIWHS-SSEXGKCCSA-N 1 2 534.708 6.056 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2cc1C ZINC000019973239 553651755 /nfs/dbraw/zinc/65/17/55/553651755.db2.gz XWLLKMZQGGXSFJ-MHZLTWQESA-N 1 2 526.710 5.782 40 0 KKABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2cc1C ZINC000019973239 553651757 /nfs/dbraw/zinc/65/17/57/553651757.db2.gz XWLLKMZQGGXSFJ-MHZLTWQESA-N 1 2 526.710 5.782 40 0 KKABLO CCCCc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000020081330 553680235 /nfs/dbraw/zinc/68/02/35/553680235.db2.gz WMCPQVBLGRJOCG-UHFFFAOYSA-N 1 2 506.716 5.019 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000020082649 553682165 /nfs/dbraw/zinc/68/21/65/553682165.db2.gz FHZCKZKGQXACLS-MHZLTWQESA-N 1 2 526.710 5.864 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000020082649 553682166 /nfs/dbraw/zinc/68/21/66/553682166.db2.gz FHZCKZKGQXACLS-MHZLTWQESA-N 1 2 526.710 5.864 40 0 KKABLO COc1ccc([C@H](CC(=O)c2ccccc2)N2CC[NH+]([C@@H](CC(=O)c3ccccc3)c3ccc(OC)cc3)CC2)cc1 ZINC000022584771 553747493 /nfs/dbraw/zinc/74/74/93/553747493.db2.gz ZGOIXURTGVYPPF-HEVIKAOCSA-N 1 2 562.710 6.650 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc5ccccc54)cc3n2)cc1 ZINC000022833211 553755996 /nfs/dbraw/zinc/75/59/96/553755996.db2.gz OZIJHZIVCWZLBZ-UHFFFAOYSA-N 1 2 508.651 5.855 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5ccccc5c4)cc3n2)cc1 ZINC000022833208 553756070 /nfs/dbraw/zinc/75/60/70/553756070.db2.gz FXKHJPRASRGZRA-UHFFFAOYSA-N 1 2 508.651 5.855 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000034795861 554008780 /nfs/dbraw/zinc/00/87/80/554008780.db2.gz LKLZRYIWPSGWBV-ZNSCEPEASA-N 1 2 518.400 5.008 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000034795861 554008784 /nfs/dbraw/zinc/00/87/84/554008784.db2.gz LKLZRYIWPSGWBV-ZNSCEPEASA-N 1 2 518.400 5.008 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000098000230 554049275 /nfs/dbraw/zinc/04/92/75/554049275.db2.gz NKVHINDRYIMFQH-AYIBULNRSA-N 1 2 567.795 10.184 40 0 KKABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000098000230 554049276 /nfs/dbraw/zinc/04/92/76/554049276.db2.gz NKVHINDRYIMFQH-AYIBULNRSA-N 1 2 567.795 10.184 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371848 554357388 /nfs/dbraw/zinc/35/73/88/554357388.db2.gz UABRSCGNVTXPMK-PMERELPUSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371848 554357392 /nfs/dbraw/zinc/35/73/92/554357392.db2.gz UABRSCGNVTXPMK-PMERELPUSA-N 1 2 536.680 5.650 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100374920 554359123 /nfs/dbraw/zinc/35/91/23/554359123.db2.gz IFLLWIROTVTKPC-LJAQVGFWSA-N 1 2 540.643 5.449 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100374920 554359126 /nfs/dbraw/zinc/35/91/26/554359126.db2.gz IFLLWIROTVTKPC-LJAQVGFWSA-N 1 2 540.643 5.449 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100374894 554359188 /nfs/dbraw/zinc/35/91/88/554359188.db2.gz VDAJCIAEJZAXQE-NDEPHWFRSA-N 1 2 544.606 5.393 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100374894 554359192 /nfs/dbraw/zinc/35/91/92/554359192.db2.gz VDAJCIAEJZAXQE-NDEPHWFRSA-N 1 2 544.606 5.393 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375106 554359295 /nfs/dbraw/zinc/35/92/95/554359295.db2.gz GMADJEVYGXEIOP-GDLZYMKVSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100375106 554359297 /nfs/dbraw/zinc/35/92/97/554359297.db2.gz GMADJEVYGXEIOP-GDLZYMKVSA-N 1 2 536.680 5.536 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000100375311 554359569 /nfs/dbraw/zinc/35/95/69/554359569.db2.gz XCZZQQMWUQCQBK-AREMUKBSSA-N 1 2 544.656 5.301 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000100375311 554359573 /nfs/dbraw/zinc/35/95/73/554359573.db2.gz XCZZQQMWUQCQBK-AREMUKBSSA-N 1 2 544.656 5.301 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640587 554360765 /nfs/dbraw/zinc/36/07/65/554360765.db2.gz DHXISFZBORWHPO-MHZLTWQESA-N 1 2 500.647 5.354 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640587 554360768 /nfs/dbraw/zinc/36/07/68/554360768.db2.gz DHXISFZBORWHPO-MHZLTWQESA-N 1 2 500.647 5.354 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640826 554361181 /nfs/dbraw/zinc/36/11/81/554361181.db2.gz RPAPECRRIWELLR-HHHXNRCGSA-N 1 2 514.580 5.303 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640826 554361179 /nfs/dbraw/zinc/36/11/79/554361179.db2.gz RPAPECRRIWELLR-HHHXNRCGSA-N 1 2 514.580 5.303 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640936 554361287 /nfs/dbraw/zinc/36/12/87/554361287.db2.gz BNQLCFIECJOJKO-SANMLTNESA-N 1 2 504.610 5.321 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640936 554361290 /nfs/dbraw/zinc/36/12/90/554361290.db2.gz BNQLCFIECJOJKO-SANMLTNESA-N 1 2 504.610 5.321 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641468 554362378 /nfs/dbraw/zinc/36/23/78/554362378.db2.gz KKMDJUSEHDSYSJ-MUUNZHRXSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641468 554362380 /nfs/dbraw/zinc/36/23/80/554362380.db2.gz KKMDJUSEHDSYSJ-MUUNZHRXSA-N 1 2 514.674 5.799 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642033 554362951 /nfs/dbraw/zinc/36/29/51/554362951.db2.gz DTQJOPLBNTXMAI-VWLOTQADSA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642033 554362953 /nfs/dbraw/zinc/36/29/53/554362953.db2.gz DTQJOPLBNTXMAI-VWLOTQADSA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641911 554362987 /nfs/dbraw/zinc/36/29/87/554362987.db2.gz UPMFQPCZZOZRSC-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641911 554362989 /nfs/dbraw/zinc/36/29/89/554362989.db2.gz UPMFQPCZZOZRSC-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641997 554362993 /nfs/dbraw/zinc/36/29/93/554362993.db2.gz BFFPMEJBSVQRKM-VWLOTQADSA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641997 554362995 /nfs/dbraw/zinc/36/29/95/554362995.db2.gz BFFPMEJBSVQRKM-VWLOTQADSA-N 1 2 502.663 5.439 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641944 554363013 /nfs/dbraw/zinc/36/30/13/554363013.db2.gz SBKOJXHSOWSUAZ-GDLZYMKVSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641944 554363011 /nfs/dbraw/zinc/36/30/11/554363011.db2.gz SBKOJXHSOWSUAZ-GDLZYMKVSA-N 1 2 506.654 5.528 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642026 554363023 /nfs/dbraw/zinc/36/30/23/554363023.db2.gz XULWFOSVZAIUDL-AREMUKBSSA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642026 554363026 /nfs/dbraw/zinc/36/30/26/554363026.db2.gz XULWFOSVZAIUDL-AREMUKBSSA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642396 554363643 /nfs/dbraw/zinc/36/36/43/554363643.db2.gz AOURSYYALFJEEZ-NDEPHWFRSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642396 554363638 /nfs/dbraw/zinc/36/36/38/554363638.db2.gz AOURSYYALFJEEZ-NDEPHWFRSA-N 1 2 524.644 5.781 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642390 554363661 /nfs/dbraw/zinc/36/36/61/554363661.db2.gz VIRSKBPYFPKLSG-NDEPHWFRSA-N 1 2 506.654 5.642 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642390 554363664 /nfs/dbraw/zinc/36/36/64/554363664.db2.gz VIRSKBPYFPKLSG-NDEPHWFRSA-N 1 2 506.654 5.642 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389316 554365784 /nfs/dbraw/zinc/36/57/84/554365784.db2.gz ZFPQLSBHIAQRRL-AREMUKBSSA-N 1 2 544.656 5.301 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389316 554365788 /nfs/dbraw/zinc/36/57/88/554365788.db2.gz ZFPQLSBHIAQRRL-AREMUKBSSA-N 1 2 544.656 5.301 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3n2)c(C)c1 ZINC000059331611 554389731 /nfs/dbraw/zinc/38/97/31/554389731.db2.gz LMGQODGSTQNEHI-UHFFFAOYSA-N 1 2 521.090 5.972 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3n2)c(C)c1 ZINC000059331616 554389899 /nfs/dbraw/zinc/38/98/99/554389899.db2.gz SSBHGNJJPOWUIA-UHFFFAOYSA-N 1 2 530.698 5.798 40 0 KKABLO CCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)c1 ZINC000059331612 554389939 /nfs/dbraw/zinc/38/99/39/554389939.db2.gz JGOUKIZBOSTPPP-UHFFFAOYSA-N 1 2 516.671 5.409 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(OC)cc4)cc3n2)c(C)c1 ZINC000059331623 554389955 /nfs/dbraw/zinc/38/99/55/554389955.db2.gz CKDOCPSYANQGFQ-XNTDXEJSSA-N 1 2 528.682 5.419 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)c(C)c1 ZINC000059331874 554391959 /nfs/dbraw/zinc/39/19/59/554391959.db2.gz MJAUXEIWEBEKBV-GOSISDBHSA-N 1 2 526.468 6.596 40 0 KKABLO CCOC(=O)C1=C(c2ccc(OC)cc2)[NH+]=C2Nc3ccccc3N2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000059781476 554429875 /nfs/dbraw/zinc/42/98/75/554429875.db2.gz FEAGUKKHASWMRW-HKBQPEDESA-N 1 2 531.612 6.591 40 0 KKABLO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000060016129 554486470 /nfs/dbraw/zinc/48/64/70/554486470.db2.gz PQGOCQDKBRODEN-UHFFFAOYSA-N 1 2 548.974 5.056 40 0 KKABLO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000060028326 554492274 /nfs/dbraw/zinc/49/22/74/554492274.db2.gz DKUWRXUQDGFRLP-UHFFFAOYSA-N 1 2 529.449 5.075 40 0 KKABLO O=C(c1ccccc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101064337 554571141 /nfs/dbraw/zinc/57/11/41/554571141.db2.gz BNLNAGUUOSJUPJ-PBNWVGGGSA-N 1 2 609.907 7.084 40 0 KKABLO O=C(c1ccccc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101064337 554571143 /nfs/dbraw/zinc/57/11/43/554571143.db2.gz BNLNAGUUOSJUPJ-PBNWVGGGSA-N 1 2 609.907 7.084 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589759 554801979 /nfs/dbraw/zinc/80/19/79/554801979.db2.gz HUUQWSQNLAVVGP-SPOCJGCTSA-N 1 2 589.047 6.247 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589759 554801980 /nfs/dbraw/zinc/80/19/80/554801980.db2.gz HUUQWSQNLAVVGP-SPOCJGCTSA-N 1 2 589.047 6.247 40 0 KKABLO Cc1ccc(N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)[C@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000101994005 554864682 /nfs/dbraw/zinc/86/46/82/554864682.db2.gz NQGJPWNSWPMMFJ-UCGGBYDDSA-N 1 2 562.714 6.232 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000102896535 555136552 /nfs/dbraw/zinc/13/65/52/555136552.db2.gz GYCBCDBJLGBZEQ-NEWJYFPISA-N 1 2 572.370 6.166 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000102896535 555136553 /nfs/dbraw/zinc/13/65/53/555136553.db2.gz GYCBCDBJLGBZEQ-NEWJYFPISA-N 1 2 572.370 6.166 40 0 KKABLO O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000102978249 555186845 /nfs/dbraw/zinc/18/68/45/555186845.db2.gz YIMZNKQNICNZMK-TUHRWJLXSA-N 1 2 533.461 7.464 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103520634 555426190 /nfs/dbraw/zinc/42/61/90/555426190.db2.gz KJMJZULSXYHGRT-ZXYZSCNASA-N 1 2 526.592 5.535 40 0 KKABLO O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103520634 555426192 /nfs/dbraw/zinc/42/61/92/555426192.db2.gz KJMJZULSXYHGRT-ZXYZSCNASA-N 1 2 526.592 5.535 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103521272 555426566 /nfs/dbraw/zinc/42/65/66/555426566.db2.gz IDLQFZFUMPFHQZ-GGVMLGSCSA-N 1 2 595.482 6.984 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103521272 555426567 /nfs/dbraw/zinc/42/65/67/555426567.db2.gz IDLQFZFUMPFHQZ-GGVMLGSCSA-N 1 2 595.482 6.984 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103530570 555430697 /nfs/dbraw/zinc/43/06/97/555430697.db2.gz VVSYZUVJILOPAQ-ACZXLBTNSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103530570 555430700 /nfs/dbraw/zinc/43/07/00/555430700.db2.gz VVSYZUVJILOPAQ-ACZXLBTNSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(OC(C)=O)cc2)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103530448 555430826 /nfs/dbraw/zinc/43/08/26/555430826.db2.gz UNTDOAXQRNACSU-XWSGIVAFSA-N 1 2 584.628 5.602 40 0 KKABLO COc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(OC(C)=O)cc2)[N@H+]2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103530448 555430829 /nfs/dbraw/zinc/43/08/29/555430829.db2.gz UNTDOAXQRNACSU-XWSGIVAFSA-N 1 2 584.628 5.602 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000103532808 555433324 /nfs/dbraw/zinc/43/33/24/555433324.db2.gz VUXCVIFVOBXIQC-CCXYNAMNSA-N 1 2 552.845 5.661 40 0 KKABLO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000103532808 555433327 /nfs/dbraw/zinc/43/33/27/555433327.db2.gz VUXCVIFVOBXIQC-CCXYNAMNSA-N 1 2 552.845 5.661 40 0 KKABLO O=C(c1cc2ccccc2o1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103528024 571361786 /nfs/dbraw/zinc/36/17/86/571361786.db2.gz KFHVULANIPBEHT-KCQQKVKYSA-N 1 2 571.032 7.068 40 0 KKABLO O=C(c1cc2ccccc2o1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103528024 571361787 /nfs/dbraw/zinc/36/17/87/571361787.db2.gz KFHVULANIPBEHT-KCQQKVKYSA-N 1 2 571.032 7.068 40 0 KKABLO COc1cc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141705 571374720 /nfs/dbraw/zinc/37/47/20/571374720.db2.gz IPGGCZWBQGQORS-WAGRTKOWSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141705 571374721 /nfs/dbraw/zinc/37/47/21/571374721.db2.gz IPGGCZWBQGQORS-WAGRTKOWSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(O)=C2[C@@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141705 571374722 /nfs/dbraw/zinc/37/47/22/571374722.db2.gz IPGGCZWBQGQORS-WAGRTKOWSA-N 1 2 566.654 5.426 40 0 KKABLO COc1cc(C(O)=C2[C@@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141705 571374723 /nfs/dbraw/zinc/37/47/23/571374723.db2.gz IPGGCZWBQGQORS-WAGRTKOWSA-N 1 2 566.654 5.426 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccc(Br)cc5)o4)cc3n2)cc1 ZINC000104329681 571379214 /nfs/dbraw/zinc/37/92/14/571379214.db2.gz RCQSSZDRDOWDNF-BMRADRMJSA-N 1 2 570.491 7.250 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(Br)cc4Br)cc3n2)c(C)c1 ZINC000104329849 571379267 /nfs/dbraw/zinc/37/92/67/571379267.db2.gz AXILJZNUPIUPLG-UHFFFAOYSA-N 1 2 615.370 6.734 40 0 KKABLO O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000104407087 571380896 /nfs/dbraw/zinc/38/08/96/571380896.db2.gz CHHMERMELSNENR-UHFFFAOYSA-N 1 2 586.157 6.029 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(Br)cc(C)c4OC)cc3n2)cc1 ZINC000105313884 571398138 /nfs/dbraw/zinc/39/81/38/571398138.db2.gz DXDKNKNRICAHJV-UHFFFAOYSA-N 1 2 581.540 5.781 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)c(C)c1 ZINC000105314032 571398204 /nfs/dbraw/zinc/39/82/04/571398204.db2.gz GAZKVYZBEOYNNN-UHFFFAOYSA-N 1 2 544.725 6.045 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)cc3n2)c(C)c1 ZINC000105314036 571398238 /nfs/dbraw/zinc/39/82/38/571398238.db2.gz QXKGMAXGSRKSJP-UHFFFAOYSA-N 1 2 544.725 6.045 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cc6ccccc6oc5=O)cc4)cc3n2)c(C)c1 ZINC000105320998 571402421 /nfs/dbraw/zinc/40/24/21/571402421.db2.gz NIQKGWFOEBDKEO-UHFFFAOYSA-N 1 2 557.654 6.909 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5c(Br)c4OC)cc3n2)c(C)c1 ZINC000105321013 571402475 /nfs/dbraw/zinc/40/24/75/571402475.db2.gz CMWCNFKPUWGSDX-UHFFFAOYSA-N 1 2 572.507 7.060 40 0 KKABLO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922040 571446630 /nfs/dbraw/zinc/44/66/30/571446630.db2.gz AHKXIQGCXFDYPT-QTHPBUHDSA-N 1 2 527.834 7.662 40 0 KKABLO CCOC(=O)CC[C@H](NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC ZINC000150382596 571467285 /nfs/dbraw/zinc/46/72/85/571467285.db2.gz HXQMEXBMQABZTD-GSVOJQHPSA-N 1 2 791.026 9.053 40 0 KKABLO C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([NH+](C)C)cc3)cc2Cl)C1 ZINC000224137821 571484205 /nfs/dbraw/zinc/48/42/05/571484205.db2.gz KESUTXMNAMQZNF-BSKSBYHUSA-N 1 2 585.221 7.251 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000150428363 571491871 /nfs/dbraw/zinc/49/18/71/571491871.db2.gz XSWDFWVEFIXRBE-MIARMAKKSA-N 1 2 633.498 6.356 40 0 KKABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000150428363 571491873 /nfs/dbraw/zinc/49/18/73/571491873.db2.gz XSWDFWVEFIXRBE-MIARMAKKSA-N 1 2 633.498 6.356 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224527955 571567163 /nfs/dbraw/zinc/56/71/63/571567163.db2.gz HLMXFWKNYFDEGJ-FMIVXFBMSA-N 1 2 512.694 6.433 40 0 KKABLO COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3c2)cc1Cl ZINC000215873582 571586551 /nfs/dbraw/zinc/58/65/51/571586551.db2.gz PEDZYIVLUKFBDY-UHFFFAOYSA-N 1 2 570.136 5.346 40 0 KKABLO COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3c2)cc1Cl ZINC000215873654 571586593 /nfs/dbraw/zinc/58/65/93/571586593.db2.gz FLCGPZXPPWIXBH-UHFFFAOYSA-N 1 2 646.234 6.936 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cccc2ccccc21 ZINC000224635133 571591682 /nfs/dbraw/zinc/59/16/82/571591682.db2.gz ZVBSRKHFEWJVCI-UHFFFAOYSA-N 1 2 524.617 5.504 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224645320 571593698 /nfs/dbraw/zinc/59/36/98/571593698.db2.gz ISQSWQAAXUKXSZ-CONSDPRKSA-N 1 2 531.685 6.908 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc2ccccc2c1 ZINC000224647827 571594417 /nfs/dbraw/zinc/59/44/17/571594417.db2.gz KGVHPXLTTCTGAK-DHZHZOJOSA-N 1 2 506.646 6.289 40 0 KKABLO O=c1sc2cc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)ccc2n1Cc1ccccc1Cl ZINC000224981354 571635864 /nfs/dbraw/zinc/63/58/64/571635864.db2.gz BWMWJKSGJKQKMZ-UHFFFAOYSA-N 1 2 514.072 5.556 40 0 KKABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1NC(C)=O ZINC000225324821 571680652 /nfs/dbraw/zinc/68/06/52/571680652.db2.gz GRXWFCQDUOJOQK-NSOVKSMOSA-N 1 2 526.666 5.082 40 0 KKABLO O=c1sc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2n1Cc1ccccc1 ZINC000225743375 572058175 /nfs/dbraw/zinc/05/81/75/572058175.db2.gz VLSRIYAJLQXDQF-UHFFFAOYSA-N 1 2 555.725 5.207 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261362907 572104583 /nfs/dbraw/zinc/10/45/83/572104583.db2.gz NNJCNLFHRKZURM-VWLOTQADSA-O 1 2 507.680 5.463 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000261362729 572104657 /nfs/dbraw/zinc/10/46/57/572104657.db2.gz DXWSEUGTKRRYDW-PMERELPUSA-O 1 2 636.592 6.683 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2cccc(Cl)c2)o1 ZINC000261363080 572104706 /nfs/dbraw/zinc/10/47/06/572104706.db2.gz FVWMMRRREQBFBW-VWLOTQADSA-O 1 2 508.023 5.856 40 0 KKABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc(Br)c1O ZINC000261363705 572105798 /nfs/dbraw/zinc/10/57/98/572105798.db2.gz HSRPJDITQSQNAJ-QFIPXVFZSA-O 1 2 558.865 5.532 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OCC)ccc1Br ZINC000261363959 572105862 /nfs/dbraw/zinc/10/58/62/572105862.db2.gz ISEWDCDAZKEAOQ-HSZRJFAPSA-O 1 2 530.468 5.104 40 0 KKABLO CC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCc3ccccc3Cl)n[n+]2[C@H]1c1cccc(OC2CCCC2)c1 ZINC000261365165 572107207 /nfs/dbraw/zinc/10/72/07/572107207.db2.gz QMROVZMCFGRGHT-LJAQVGFWSA-O 1 2 560.099 6.317 40 0 KKABLO O=c1[nH]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@H]2c1ccc(O)c(Br)c1 ZINC000261365597 572107829 /nfs/dbraw/zinc/10/78/29/572107829.db2.gz TZZVJYAQKQVEAR-OAQYLSRUSA-O 1 2 528.839 5.523 40 0 KKABLO O=c1[nH]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc(O)c(Br)c1 ZINC000261365596 572107894 /nfs/dbraw/zinc/10/78/94/572107894.db2.gz TZZVJYAQKQVEAR-NRFANRHFSA-O 1 2 528.839 5.523 40 0 KKABLO CCOc1cc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(I)c1OCc1ccccc1 ZINC000261365340 572107998 /nfs/dbraw/zinc/10/79/98/572107998.db2.gz RLXRCRFDHNBDLR-MUUNZHRXSA-O 1 2 655.538 5.744 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000261365328 572108012 /nfs/dbraw/zinc/10/80/12/572108012.db2.gz RKXFOXLNSHNMQV-HHHXNRCGSA-O 1 2 545.641 5.379 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000261365329 572108021 /nfs/dbraw/zinc/10/80/21/572108021.db2.gz RKXFOXLNSHNMQV-MHZLTWQESA-O 1 2 545.641 5.379 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc(Cl)cc(Cl)c1OC(=O)CC ZINC000261366076 572108309 /nfs/dbraw/zinc/10/83/09/572108309.db2.gz XGUCZSYSEKKLCW-XMMPIXPASA-O 1 2 548.472 5.565 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc(Cl)cc(Cl)c1OC(=O)CC ZINC000261366075 572108544 /nfs/dbraw/zinc/10/85/44/572108544.db2.gz XGUCZSYSEKKLCW-DEOSSOPVSA-O 1 2 548.472 5.565 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(OCCC)ccc2ccccc21 ZINC000261366282 572108935 /nfs/dbraw/zinc/10/89/35/572108935.db2.gz YNKWKMPXIJHUTQ-MUUNZHRXSA-O 1 2 515.659 5.884 40 0 KKABLO Cc1ccc(CSc2n[n+]3c(c(=O)[nH]2)-c2ccccc2N[C@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000261366305 572109197 /nfs/dbraw/zinc/10/91/97/572109197.db2.gz YRXSSFJQEJFUPK-MUUNZHRXSA-O 1 2 541.741 7.010 40 0 KKABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329016456 572148772 /nfs/dbraw/zinc/14/87/72/572148772.db2.gz NGQYLUPPELYMRD-HXUWFJFHSA-N 1 2 525.369 5.846 40 0 KKABLO CCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329027305 572149686 /nfs/dbraw/zinc/14/96/86/572149686.db2.gz PRONZABCKFCORK-UHFFFAOYSA-N 1 2 521.259 5.843 40 0 KKABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329061301 572151463 /nfs/dbraw/zinc/15/14/63/572151463.db2.gz WQVVOTGLKSPJEY-UHFFFAOYSA-N 1 2 507.232 5.453 40 0 KKABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408557173 572244688 /nfs/dbraw/zinc/24/46/88/572244688.db2.gz LTLUCKBHAHBOJB-UHFFFAOYSA-N 1 2 576.118 5.697 40 0 KKABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)NC1CCCCC1 ZINC000408559019 572246359 /nfs/dbraw/zinc/24/63/59/572246359.db2.gz VCWLACUZKZGLGV-UHFFFAOYSA-N 1 2 531.722 5.153 40 0 KKABLO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408607475 572275188 /nfs/dbraw/zinc/27/51/88/572275188.db2.gz MORCQMXNRHRVGA-UHFFFAOYSA-N 1 2 523.058 5.061 40 0 KKABLO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408621090 572281453 /nfs/dbraw/zinc/28/14/53/572281453.db2.gz LAAFNGXISYOBPZ-DHZHZOJOSA-N 1 2 544.504 5.046 40 0 KKABLO O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408621447 572281512 /nfs/dbraw/zinc/28/15/12/572281512.db2.gz NDBHTLOFAYORFX-QPJJXVBHSA-N 1 2 637.427 5.804 40 0 KKABLO COc1cc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cccc(OCc3ccc(C)cc3)c2)c(OC)cc1Cl ZINC000408624144 572282899 /nfs/dbraw/zinc/28/28/99/572282899.db2.gz FRVNYJPHZOQYJH-HHHXNRCGSA-N 1 2 546.027 5.417 40 0 KKABLO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408626134 572283671 /nfs/dbraw/zinc/28/36/71/572283671.db2.gz ZFQWPNKFAZICOD-QPJJXVBHSA-N 1 2 592.976 5.695 40 0 KKABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000408625966 572283698 /nfs/dbraw/zinc/28/36/98/572283698.db2.gz YWIATVPWYAXPBF-RUZDIDTESA-N 1 2 501.974 5.100 40 0 KKABLO O=C(c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408630330 572286017 /nfs/dbraw/zinc/28/60/17/572286017.db2.gz RYEUPJOAWQQURX-JLHYYAGUSA-N 1 2 551.712 5.553 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257201112 572306438 /nfs/dbraw/zinc/30/64/38/572306438.db2.gz AGJBBLOEDSDLES-UHFFFAOYSA-N 1 2 588.746 5.296 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257203150 572306513 /nfs/dbraw/zinc/30/65/13/572306513.db2.gz AOWQSZFLCMPMPM-UHFFFAOYSA-N 1 2 556.729 5.233 40 0 KKABLO CCCCOc1ccc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)c2ccccc2)C3)cc1 ZINC000257216287 572307946 /nfs/dbraw/zinc/30/79/46/572307946.db2.gz CTWFOEGQQAMLPE-UHFFFAOYSA-N 1 2 527.731 5.150 40 0 KKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257234353 572309639 /nfs/dbraw/zinc/30/96/39/572309639.db2.gz GTDVMSIITTWUJB-SMCANUKXSA-N 1 2 502.655 5.669 40 0 KKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257234353 572309641 /nfs/dbraw/zinc/30/96/41/572309641.db2.gz GTDVMSIITTWUJB-SMCANUKXSA-N 1 2 502.655 5.669 40 0 KKABLO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3)[N@H+](CCO)[C@H]2c2cccc(Cl)c2)n1 ZINC000257259772 572311952 /nfs/dbraw/zinc/31/19/52/572311952.db2.gz KZXDZELNYZNFMC-NHTMILBNSA-N 1 2 501.458 5.475 40 0 KKABLO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3)[N@@H+](CCO)[C@H]2c2cccc(Cl)c2)n1 ZINC000257259772 572311953 /nfs/dbraw/zinc/31/19/53/572311953.db2.gz KZXDZELNYZNFMC-NHTMILBNSA-N 1 2 501.458 5.475 40 0 KKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1Oc1ccccc1 ZINC000257267729 572312766 /nfs/dbraw/zinc/31/27/66/572312766.db2.gz MIOGLIAZGSMIRR-LSYYVWMOSA-N 1 2 511.663 5.276 40 0 KKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1Oc1ccccc1 ZINC000257267729 572312767 /nfs/dbraw/zinc/31/27/67/572312767.db2.gz MIOGLIAZGSMIRR-LSYYVWMOSA-N 1 2 511.663 5.276 40 0 KKABLO CC(C)=CCOc1cc2c(cc1CNc1ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 ZINC000257298820 572315650 /nfs/dbraw/zinc/31/56/50/572315650.db2.gz RNKFGYBEYINVGB-VYVPPWFUSA-N 1 2 627.848 5.672 40 0 KKABLO CC(C)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)CO[C@H]1c1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000585292452 1071045548 /nfs/dbraw/zinc/04/55/48/1071045548.db2.gz MPZARXCRLSOHMY-NLVXVLGSSA-N 1 2 568.545 6.633 40 0 KKABLO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3)cc2)c1 ZINC000408920251 1071106499 /nfs/dbraw/zinc/10/64/99/1071106499.db2.gz CZTRLSPNGCCIRI-UHFFFAOYSA-N 1 2 586.714 5.079 40 0 KKABLO C=C1[NH+]=C(SCc2ccc(Cl)cc2Cl)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408987736 1071611441 /nfs/dbraw/zinc/61/14/41/1071611441.db2.gz GLJFMPDKWGYQHI-LJQANCHMSA-N 1 2 504.266 7.071 40 0 KKABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCc4ccc(Br)cc4Br)sc3c2)CC1 ZINC000408748722 1071689783 /nfs/dbraw/zinc/68/97/83/1071689783.db2.gz GUYLKVHRARNICX-UHFFFAOYSA-N 1 2 660.457 6.754 40 0 KKABLO CC(=O)N1CCN(c2ccc(Oc3cc(N4CCN(C(C)=O)CC4)ccc3C[C@H]3CO[C@@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC001570003330 1073197861 /nfs/dbraw/zinc/19/78/61/1073197861.db2.gz YMSULVZZXKFFSL-HCJVMEMPSA-N 1 2 733.697 5.830 40 0 KKABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335586 551645398 /nfs/dbraw/zinc/64/53/98/551645398.db2.gz LBGAZTQFTVPEOU-MUUNZHRXSA-N 1 2 550.663 5.072 40 0 KKABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335586 551645399 /nfs/dbraw/zinc/64/53/99/551645399.db2.gz LBGAZTQFTVPEOU-MUUNZHRXSA-N 1 2 550.663 5.072 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001338028 551646098 /nfs/dbraw/zinc/64/60/98/551646098.db2.gz WGMSNZSTIOURQY-XMMPIXPASA-N 1 2 546.628 5.036 40 0 KKABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001338028 551646100 /nfs/dbraw/zinc/64/61/00/551646100.db2.gz WGMSNZSTIOURQY-XMMPIXPASA-N 1 2 546.628 5.036 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374069 551653042 /nfs/dbraw/zinc/65/30/42/551653042.db2.gz FMJGOKKWHKFUSK-AREMUKBSSA-N 1 2 500.578 5.011 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374069 551653044 /nfs/dbraw/zinc/65/30/44/551653044.db2.gz FMJGOKKWHKFUSK-AREMUKBSSA-N 1 2 500.578 5.011 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374216 551653487 /nfs/dbraw/zinc/65/34/87/551653487.db2.gz YBOHXFOJWBNMIU-SANMLTNESA-N 1 2 514.655 5.095 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374216 551653488 /nfs/dbraw/zinc/65/34/88/551653488.db2.gz YBOHXFOJWBNMIU-SANMLTNESA-N 1 2 514.655 5.095 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374284 551653538 /nfs/dbraw/zinc/65/35/38/551653538.db2.gz GNAOTGOFMBZUQJ-VWLOTQADSA-N 1 2 502.619 5.225 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374284 551653539 /nfs/dbraw/zinc/65/35/39/551653539.db2.gz GNAOTGOFMBZUQJ-VWLOTQADSA-N 1 2 502.619 5.225 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374721 551654604 /nfs/dbraw/zinc/65/46/04/551654604.db2.gz WIAGTDNGLYPDRS-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374721 551654605 /nfs/dbraw/zinc/65/46/05/551654605.db2.gz WIAGTDNGLYPDRS-NDEPHWFRSA-N 1 2 526.616 5.173 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374775 551654993 /nfs/dbraw/zinc/65/49/93/551654993.db2.gz QKQLGZHFIJOPAN-NDEPHWFRSA-N 1 2 526.616 5.059 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374775 551654994 /nfs/dbraw/zinc/65/49/94/551654994.db2.gz QKQLGZHFIJOPAN-NDEPHWFRSA-N 1 2 526.616 5.059 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375054 551656176 /nfs/dbraw/zinc/65/61/76/551656176.db2.gz KMDYPQZMGFUNKF-RUZDIDTESA-N 1 2 514.630 5.129 40 0 KKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375054 551656180 /nfs/dbraw/zinc/65/61/80/551656180.db2.gz KMDYPQZMGFUNKF-RUZDIDTESA-N 1 2 514.630 5.129 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375388 551656861 /nfs/dbraw/zinc/65/68/61/551656861.db2.gz VWCNGSVRNOHSPN-NDEPHWFRSA-N 1 2 550.663 5.256 40 0 KKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375388 551656863 /nfs/dbraw/zinc/65/68/63/551656863.db2.gz VWCNGSVRNOHSPN-NDEPHWFRSA-N 1 2 550.663 5.256 40 0 KKABLO Brc1c(C[NH+]2CCOCC2)c(-c2ccc(Br)cc2)oc1-c1ccc(Br)cc1 ZINC000001672305 551688964 /nfs/dbraw/zinc/68/89/64/551688964.db2.gz IGUNEQISPWVLCF-UHFFFAOYSA-N 1 2 556.092 6.733 40 0 KKABLO Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+]2CCCCC2)cc1 ZINC000001785096 551698927 /nfs/dbraw/zinc/69/89/27/551698927.db2.gz JIZBXODEOUPTGJ-UHFFFAOYSA-N 1 2 571.979 7.771 40 0 KKABLO COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000001839053 551713321 /nfs/dbraw/zinc/71/33/21/551713321.db2.gz PQXCDHISNJDJNQ-RMKNXTFCSA-N 1 2 565.328 7.283 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149327 552550340 /nfs/dbraw/zinc/55/03/40/552550340.db2.gz QIAHMWDDOYIBQA-NDEPHWFRSA-N 1 2 540.737 6.172 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006149327 552550343 /nfs/dbraw/zinc/55/03/43/552550343.db2.gz QIAHMWDDOYIBQA-NDEPHWFRSA-N 1 2 540.737 6.172 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198101 552569975 /nfs/dbraw/zinc/56/99/75/552569975.db2.gz CCYBFINYXKWKQP-PMERELPUSA-N 1 2 518.665 5.169 40 0 KKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198234 552570010 /nfs/dbraw/zinc/57/00/10/552570010.db2.gz YKMHBBXTTVNJRG-GDLZYMKVSA-N 1 2 510.686 5.626 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006300992 552580254 /nfs/dbraw/zinc/58/02/54/552580254.db2.gz XTPSBBBWAGPSEA-GDLZYMKVSA-N 1 2 510.686 5.681 40 0 KKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321258 552581099 /nfs/dbraw/zinc/58/10/99/552581099.db2.gz SASOMMWUYCGPBD-GDLZYMKVSA-N 1 2 510.686 5.681 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409835 552583607 /nfs/dbraw/zinc/58/36/07/552583607.db2.gz PSSHGPWNEVKBTF-LJAQVGFWSA-N 1 2 538.721 6.224 40 0 KKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409835 552583610 /nfs/dbraw/zinc/58/36/10/552583610.db2.gz PSSHGPWNEVKBTF-LJAQVGFWSA-N 1 2 538.721 6.224 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)c(C)c1 ZINC000008900445 553181277 /nfs/dbraw/zinc/18/12/77/553181277.db2.gz JTHFJQJGIIGWGF-UHFFFAOYSA-N 1 2 503.603 5.162 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3n2)c(C)c1 ZINC000008900441 553181391 /nfs/dbraw/zinc/18/13/91/553181391.db2.gz HMKMGWQNWZAXOD-UHFFFAOYSA-N 1 2 512.441 6.451 40 0 KKABLO C[C@H](c1nnc(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1-c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000012531939 553386600 /nfs/dbraw/zinc/38/66/00/553386600.db2.gz OZPSCVUMVOGSGY-SWGGMNADSA-N 1 2 516.155 5.987 40 0 KKABLO CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000012643618 553408748 /nfs/dbraw/zinc/40/87/48/553408748.db2.gz JRUJYCXDKADOHX-UHFFFAOYSA-N 1 2 502.021 5.055 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494698 553460351 /nfs/dbraw/zinc/46/03/51/553460351.db2.gz KLLSCKRWHYTMMG-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494698 553460352 /nfs/dbraw/zinc/46/03/52/553460352.db2.gz KLLSCKRWHYTMMG-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494794 553460521 /nfs/dbraw/zinc/46/05/21/553460521.db2.gz FSPAEVLEJAMLBH-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494794 553460524 /nfs/dbraw/zinc/46/05/24/553460524.db2.gz FSPAEVLEJAMLBH-MUUNZHRXSA-N 1 2 510.617 5.472 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013494857 553460839 /nfs/dbraw/zinc/46/08/39/553460839.db2.gz WHKMHEFYJJRTLZ-GDLZYMKVSA-N 1 2 522.653 5.424 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013494857 553460840 /nfs/dbraw/zinc/46/08/40/553460840.db2.gz WHKMHEFYJJRTLZ-GDLZYMKVSA-N 1 2 522.653 5.424 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495041 553461064 /nfs/dbraw/zinc/46/10/64/553461064.db2.gz NQUBSKHDDTXRLG-RUZDIDTESA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495041 553461066 /nfs/dbraw/zinc/46/10/66/553461066.db2.gz NQUBSKHDDTXRLG-RUZDIDTESA-N 1 2 500.578 5.065 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494976 553461104 /nfs/dbraw/zinc/46/11/04/553461104.db2.gz NIPHOWWVPATPRW-HHHXNRCGSA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494976 553461106 /nfs/dbraw/zinc/46/11/06/553461106.db2.gz NIPHOWWVPATPRW-HHHXNRCGSA-N 1 2 510.617 5.358 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495230 553461875 /nfs/dbraw/zinc/46/18/75/553461875.db2.gz RZNHMVDMRWVOKO-RUZDIDTESA-N 1 2 514.630 5.210 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495230 553461876 /nfs/dbraw/zinc/46/18/76/553461876.db2.gz RZNHMVDMRWVOKO-RUZDIDTESA-N 1 2 514.630 5.210 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495221 553461981 /nfs/dbraw/zinc/46/19/81/553461981.db2.gz HVOILQHWZDAFOE-DEOSSOPVSA-N 1 2 514.630 5.210 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495221 553461982 /nfs/dbraw/zinc/46/19/82/553461982.db2.gz HVOILQHWZDAFOE-DEOSSOPVSA-N 1 2 514.630 5.210 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498477 553464735 /nfs/dbraw/zinc/46/47/35/553464735.db2.gz TZRUTRHMEYFDBE-RUZDIDTESA-N 1 2 502.644 5.179 40 0 KKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498477 553464737 /nfs/dbraw/zinc/46/47/37/553464737.db2.gz TZRUTRHMEYFDBE-RUZDIDTESA-N 1 2 502.644 5.179 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500824 553466317 /nfs/dbraw/zinc/46/63/17/553466317.db2.gz TUPRYYLEXAQLCQ-RUZDIDTESA-N 1 2 514.630 5.210 40 0 KKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500824 553466320 /nfs/dbraw/zinc/46/63/20/553466320.db2.gz TUPRYYLEXAQLCQ-RUZDIDTESA-N 1 2 514.630 5.210 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500975 553466569 /nfs/dbraw/zinc/46/65/69/553466569.db2.gz SJXRJPBOGFXTBR-SANMLTNESA-N 1 2 520.703 6.024 40 0 KKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500975 553466571 /nfs/dbraw/zinc/46/65/71/553466571.db2.gz SJXRJPBOGFXTBR-SANMLTNESA-N 1 2 520.703 6.024 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)cc4)cc3n2)c(C)c1 ZINC000014275842 553508888 /nfs/dbraw/zinc/50/88/88/553508888.db2.gz VOZGCWDKFIWPPH-UHFFFAOYSA-N 1 2 502.644 5.019 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OC)c4)cc3n2)c(C)c1 ZINC000014275841 553508917 /nfs/dbraw/zinc/50/89/17/553508917.db2.gz CYOSPBXFIYDYFZ-UHFFFAOYSA-N 1 2 502.644 5.019 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4OC)cc3n2)c(C)c1 ZINC000014275839 553508955 /nfs/dbraw/zinc/50/89/55/553508955.db2.gz VEVCPWCXUGLREQ-UHFFFAOYSA-N 1 2 502.644 5.019 40 0 KKABLO COc1ccc(-n2c(=S)n(C[NH+](Cc3ccccc3)Cc3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000015276805 553530571 /nfs/dbraw/zinc/53/05/71/553530571.db2.gz MUHYYSBYWRPQKW-UHFFFAOYSA-N 1 2 506.675 7.047 40 0 KKABLO CCOC(=O)N1CC[NH+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000015441043 553533330 /nfs/dbraw/zinc/53/33/30/553533330.db2.gz LFHILISBGSUSTK-VWLOTQADSA-N 1 2 507.656 5.489 40 0 KKABLO O=C(CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)c1ccccc1 ZINC000016758007 553581301 /nfs/dbraw/zinc/58/13/01/553581301.db2.gz VHBLWRFJFUSNOB-UHFFFAOYSA-N 1 2 500.421 6.825 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000019972886 553649610 /nfs/dbraw/zinc/64/96/10/553649610.db2.gz PLFJRDWORLLYFV-HHHXNRCGSA-N 1 2 526.710 5.864 40 0 KKABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000019972886 553649613 /nfs/dbraw/zinc/64/96/13/553649613.db2.gz PLFJRDWORLLYFV-HHHXNRCGSA-N 1 2 526.710 5.864 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000019972885 553649706 /nfs/dbraw/zinc/64/97/06/553649706.db2.gz PLFJRDWORLLYFV-MHZLTWQESA-N 1 2 526.710 5.864 40 0 KKABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000019972885 553649709 /nfs/dbraw/zinc/64/97/09/553649709.db2.gz PLFJRDWORLLYFV-MHZLTWQESA-N 1 2 526.710 5.864 40 0 KKABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020451940 553651291 /nfs/dbraw/zinc/65/12/91/553651291.db2.gz ROQCECYTMCDTPW-UHFFFAOYSA-N 1 2 522.630 5.198 40 0 KKABLO Cc1c(CSc2nc3ccccc3n2Cc2[nH+]ccc(OCC(F)(F)F)c2C)nccc1OCC(F)(F)F ZINC000077303533 553661919 /nfs/dbraw/zinc/66/19/19/553661919.db2.gz YUCQMNLWRFIFNG-UHFFFAOYSA-N 1 2 556.532 6.666 40 0 in-vitro KKABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000020049801 553670835 /nfs/dbraw/zinc/67/08/35/553670835.db2.gz MAFZJJLPFZPKDO-UHFFFAOYSA-N 1 2 509.031 5.182 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000020611052 553679320 /nfs/dbraw/zinc/67/93/20/553679320.db2.gz SCWVDJAYWGONLG-KRWDZBQOSA-N 1 2 512.441 6.288 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020083779 553684905 /nfs/dbraw/zinc/68/49/05/553684905.db2.gz DFAKZFQJUSNYGM-MUUNZHRXSA-N 1 2 522.653 5.113 40 0 KKABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020083779 553684907 /nfs/dbraw/zinc/68/49/07/553684907.db2.gz DFAKZFQJUSNYGM-MUUNZHRXSA-N 1 2 522.653 5.113 40 0 KKABLO CCn1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236903 553729481 /nfs/dbraw/zinc/72/94/81/553729481.db2.gz FSTCJLBJFVITNK-UHFFFAOYSA-N 1 2 519.567 5.588 40 0 KKABLO Nc1[nH+]cnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2Cc2cccc(-c3ccccc3)c2)c1 ZINC000096916915 553758207 /nfs/dbraw/zinc/75/82/07/553758207.db2.gz UHIZYQVRKSWIFO-UHFFFAOYSA-N 1 2 555.045 6.692 40 0 in-vitro KKABLO CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)cc1 ZINC000022860731 553762711 /nfs/dbraw/zinc/76/27/11/553762711.db2.gz MPNGXNLUMGRXKG-NRFANRHFSA-N 1 2 526.508 6.847 40 0 KKABLO Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)c1 ZINC000022860974 553762818 /nfs/dbraw/zinc/76/28/18/553762818.db2.gz XXWOPVSJRVNZIG-UHFFFAOYSA-N 1 2 527.521 6.059 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1 ZINC000022861269 553763214 /nfs/dbraw/zinc/76/32/14/553763214.db2.gz FXEKHUIQHMFJBP-UHFFFAOYSA-N 1 2 530.698 5.737 40 0 KKABLO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000097955243 553830263 /nfs/dbraw/zinc/83/02/63/553830263.db2.gz YCCPIQFTOOLLBA-MHBFXTRMSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000097955243 553830266 /nfs/dbraw/zinc/83/02/66/553830266.db2.gz YCCPIQFTOOLLBA-MHBFXTRMSA-N 1 2 532.427 5.316 40 0 KKABLO COC(=O)C1CC[NH+](CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@H]3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000097981481 553994420 /nfs/dbraw/zinc/99/44/20/553994420.db2.gz JIOMKYCHPCDJIQ-OAYXXTFGSA-N 1 2 540.491 6.001 40 0 KKABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000044945914 554309980 /nfs/dbraw/zinc/30/99/80/554309980.db2.gz JZMZQNOOUYYNNG-UHFFFAOYSA-N 1 2 509.031 5.182 40 0 KKABLO COc1ccc(CC[N@H+](Cc2ccccc2)[C@@H](c2nnnn2C2CCCCC2)c2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000100342455 554327565 /nfs/dbraw/zinc/32/75/65/554327565.db2.gz RTKXXGDQEWTUQI-MGBGTMOVSA-N 1 2 592.744 6.180 40 0 KKABLO COc1ccc(CC[N@@H+](Cc2ccccc2)[C@@H](c2nnnn2C2CCCCC2)c2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000100342455 554327567 /nfs/dbraw/zinc/32/75/67/554327567.db2.gz RTKXXGDQEWTUQI-MGBGTMOVSA-N 1 2 592.744 6.180 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371267 554356844 /nfs/dbraw/zinc/35/68/44/554356844.db2.gz ZYSOEBMDSAQFOD-GDLZYMKVSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371267 554356845 /nfs/dbraw/zinc/35/68/45/554356845.db2.gz ZYSOEBMDSAQFOD-GDLZYMKVSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000100372091 554357309 /nfs/dbraw/zinc/35/73/09/554357309.db2.gz MLGLHJGQKUVILU-NDEPHWFRSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000100372091 554357311 /nfs/dbraw/zinc/35/73/11/554357311.db2.gz MLGLHJGQKUVILU-NDEPHWFRSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371884 554357340 /nfs/dbraw/zinc/35/73/40/554357340.db2.gz UFKBNQIZWAOVHJ-LJAQVGFWSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371884 554357342 /nfs/dbraw/zinc/35/73/42/554357342.db2.gz UFKBNQIZWAOVHJ-LJAQVGFWSA-N 1 2 540.643 5.481 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371952 554357444 /nfs/dbraw/zinc/35/74/44/554357444.db2.gz TVUMMFDYNOTCNC-SSEXGKCCSA-N 1 2 536.680 5.536 40 0 KKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371952 554357447 /nfs/dbraw/zinc/35/74/47/554357447.db2.gz TVUMMFDYNOTCNC-SSEXGKCCSA-N 1 2 536.680 5.536 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589756 554357801 /nfs/dbraw/zinc/35/78/01/554357801.db2.gz BDPUWLACJKXCCW-MUUNZHRXSA-N 1 2 512.633 5.654 40 0 KKABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589756 554357796 /nfs/dbraw/zinc/35/77/96/554357796.db2.gz BDPUWLACJKXCCW-MUUNZHRXSA-N 1 2 512.633 5.654 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100374539 554358787 /nfs/dbraw/zinc/35/87/87/554358787.db2.gz BIJSBWWTKLDDMA-SSEXGKCCSA-N 1 2 536.680 5.618 40 0 KKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000100374539 554358789 /nfs/dbraw/zinc/35/87/89/554358789.db2.gz BIJSBWWTKLDDMA-SSEXGKCCSA-N 1 2 536.680 5.618 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100374469 554358794 /nfs/dbraw/zinc/35/87/94/554358794.db2.gz UHLCOBQEKQLCJI-GDLZYMKVSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100374469 554358795 /nfs/dbraw/zinc/35/87/95/554358795.db2.gz UHLCOBQEKQLCJI-GDLZYMKVSA-N 1 2 536.680 5.650 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375037 554359100 /nfs/dbraw/zinc/35/91/00/554359100.db2.gz BPUDJBFEQYURBS-LJAQVGFWSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375037 554359103 /nfs/dbraw/zinc/35/91/03/554359103.db2.gz BPUDJBFEQYURBS-LJAQVGFWSA-N 1 2 538.652 5.042 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640725 554361066 /nfs/dbraw/zinc/36/10/66/554361066.db2.gz QBKKJCSRWCPTJT-HHHXNRCGSA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640725 554361069 /nfs/dbraw/zinc/36/10/69/554361069.db2.gz QBKKJCSRWCPTJT-HHHXNRCGSA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641033 554361451 /nfs/dbraw/zinc/36/14/51/554361451.db2.gz VEQMDDLBFKBJCL-MHZLTWQESA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641033 554361454 /nfs/dbraw/zinc/36/14/54/554361454.db2.gz VEQMDDLBFKBJCL-MHZLTWQESA-N 1 2 500.647 5.490 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641747 554362600 /nfs/dbraw/zinc/36/26/00/554362600.db2.gz KTCQPVFIIVVIHI-SANMLTNESA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641733 554362610 /nfs/dbraw/zinc/36/26/10/554362610.db2.gz MSVRDHVFSJONTH-MHZLTWQESA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641747 554362596 /nfs/dbraw/zinc/36/25/96/554362596.db2.gz KTCQPVFIIVVIHI-SANMLTNESA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641733 554362608 /nfs/dbraw/zinc/36/26/08/554362608.db2.gz MSVRDHVFSJONTH-MHZLTWQESA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641750 554362647 /nfs/dbraw/zinc/36/26/47/554362647.db2.gz KTCQPVFIIVVIHI-AREMUKBSSA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641750 554362649 /nfs/dbraw/zinc/36/26/49/554362649.db2.gz KTCQPVFIIVVIHI-AREMUKBSSA-N 1 2 528.657 5.519 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642024 554363042 /nfs/dbraw/zinc/36/30/42/554363042.db2.gz XULWFOSVZAIUDL-SANMLTNESA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642024 554363040 /nfs/dbraw/zinc/36/30/40/554363040.db2.gz XULWFOSVZAIUDL-SANMLTNESA-N 1 2 502.638 5.929 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642293 554363589 /nfs/dbraw/zinc/36/35/89/554363589.db2.gz JBXIFALMRLEBHO-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642293 554363594 /nfs/dbraw/zinc/36/35/94/554363594.db2.gz JBXIFALMRLEBHO-MHZLTWQESA-N 1 2 510.617 5.472 40 0 KKABLO Oc1c(Br)cc(C[NH+](Cc2cc(Br)c(O)c(Br)c2)C2CCCCC2)cc1Br ZINC000057678897 554364374 /nfs/dbraw/zinc/36/43/74/554364374.db2.gz PUMFEPYRTTZELK-UHFFFAOYSA-N 1 2 627.009 7.483 40 0 in-vitro KKABLO COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2c(C)[nH+]c3ccccc32)c2cccc(C(F)(F)F)c2)cc1 ZINC000100442763 554393680 /nfs/dbraw/zinc/39/36/80/554393680.db2.gz JHRXJYFSEHDMFE-GDLZYMKVSA-N 1 2 564.608 6.205 40 0 KKABLO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3OC(F)(F)F)o2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000100451442 554395377 /nfs/dbraw/zinc/39/53/77/554395377.db2.gz IWRBBAWRMGGHON-HAVVHWLPSA-N 1 2 538.526 5.328 40 0 KKABLO O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000060016242 554487003 /nfs/dbraw/zinc/48/70/03/554487003.db2.gz GJWHBHXAHZILGN-UHFFFAOYSA-N 1 2 548.974 5.056 40 0 KKABLO Fc1cccc(Cl)c1CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000100986660 554548690 /nfs/dbraw/zinc/54/86/90/554548690.db2.gz ANPRANRHDINHGP-UHFFFAOYSA-N 1 2 524.846 7.935 40 0 KKABLO CC[N@H+](CCCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)c1cccc(C)c1 ZINC000101532003 554794743 /nfs/dbraw/zinc/79/47/43/554794743.db2.gz XNUUUBLDOCLPNQ-UHFFFAOYSA-N 1 2 557.098 5.020 40 0 KKABLO CC[N@@H+](CCCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)c1cccc(C)c1 ZINC000101532003 554794746 /nfs/dbraw/zinc/79/47/46/554794746.db2.gz XNUUUBLDOCLPNQ-UHFFFAOYSA-N 1 2 557.098 5.020 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000102370320 554916267 /nfs/dbraw/zinc/91/62/67/554916267.db2.gz SSAXPXLTMOAPIU-XMFJDCMESA-N 1 2 572.636 6.595 40 0 KKABLO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000102370320 554916270 /nfs/dbraw/zinc/91/62/70/554916270.db2.gz SSAXPXLTMOAPIU-XMFJDCMESA-N 1 2 572.636 6.595 40 0 KKABLO CC[C@H]1C(=S)NC(=O)C([C@H](c2ccc(OC)c(C[NH+]3CCCCC3)c2)C2C(=O)NC(=S)[C@@H](CC)C2=O)=C1O ZINC000102505117 554944261 /nfs/dbraw/zinc/94/42/61/554944261.db2.gz ULPAHMXLWFESAI-RUYXUALKSA-N 1 2 557.738 5.178 40 0 KKABLO CC[C@@H]1C(=O)C([C@H](c2ccc(OC)c(C[NH+]3CCCCC3)c2)C2=C(O)[C@H](CC)C(=S)NC2=O)C(=O)NC1=S ZINC000102505117 554944264 /nfs/dbraw/zinc/94/42/64/554944264.db2.gz ULPAHMXLWFESAI-RUYXUALKSA-N 1 2 557.738 5.178 40 0 KKABLO Cc1cccc2c1NC(=O)[C@]21[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21 ZINC000102765326 555054640 /nfs/dbraw/zinc/05/46/40/555054640.db2.gz JRJCDJXJYQTVKJ-AFQYKJSQSA-N 1 2 532.427 5.316 40 0 KKABLO Cc1cccc2c1NC(=O)[C@]21[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21 ZINC000102765326 555054644 /nfs/dbraw/zinc/05/46/44/555054644.db2.gz JRJCDJXJYQTVKJ-AFQYKJSQSA-N 1 2 532.427 5.316 40 0 KKABLO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000103022565 555213541 /nfs/dbraw/zinc/21/35/41/555213541.db2.gz KCPZNGCZFMQZCF-NYVASBMXSA-N 1 2 617.812 6.063 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519406 555425010 /nfs/dbraw/zinc/42/50/10/555425010.db2.gz OCLURVDADVZYNI-AXXJGTDDSA-N 1 2 570.645 5.994 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103519406 555425015 /nfs/dbraw/zinc/42/50/15/555425015.db2.gz OCLURVDADVZYNI-AXXJGTDDSA-N 1 2 570.645 5.994 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c1 ZINC000103522255 555426833 /nfs/dbraw/zinc/42/68/33/555426833.db2.gz ZBKGLBHREMMWRQ-NIKYWZLZSA-N 1 2 605.488 6.439 40 0 KKABLO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c1 ZINC000103522255 555426838 /nfs/dbraw/zinc/42/68/38/555426838.db2.gz ZBKGLBHREMMWRQ-NIKYWZLZSA-N 1 2 605.488 6.439 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)c(OC)c1 ZINC000103525113 555427857 /nfs/dbraw/zinc/42/78/57/555427857.db2.gz YXXNPRGUKZSGPT-SPOCJGCTSA-N 1 2 574.608 5.825 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)c(OC)c1 ZINC000103525113 555427860 /nfs/dbraw/zinc/42/78/60/555427860.db2.gz YXXNPRGUKZSGPT-SPOCJGCTSA-N 1 2 574.608 5.825 40 0 KKABLO O=C(c1ccccc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000103527160 555429076 /nfs/dbraw/zinc/42/90/76/555429076.db2.gz UZPCINOSVJYMKQ-DZDVJMQSSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(c1ccccc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000103527160 555429078 /nfs/dbraw/zinc/42/90/78/555429078.db2.gz UZPCINOSVJYMKQ-DZDVJMQSSA-N 1 2 565.456 6.975 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103530289 555430801 /nfs/dbraw/zinc/43/08/01/555430801.db2.gz VLGFCPJTZUAQFW-CJRSTVEYSA-N 1 2 537.925 5.513 40 0 KKABLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103530289 555430805 /nfs/dbraw/zinc/43/08/05/555430805.db2.gz VLGFCPJTZUAQFW-CJRSTVEYSA-N 1 2 537.925 5.513 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000103536467 555435859 /nfs/dbraw/zinc/43/58/59/555435859.db2.gz HQINTFJHPQGABW-NIKYWZLZSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000103536467 555435862 /nfs/dbraw/zinc/43/58/62/555435862.db2.gz HQINTFJHPQGABW-NIKYWZLZSA-N 1 2 561.037 6.330 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1Br ZINC000103544732 555440029 /nfs/dbraw/zinc/44/00/29/555440029.db2.gz GLCDHFYSOJXWLM-GCZHVTBPSA-N 1 2 605.488 6.439 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1Br ZINC000103544732 555440033 /nfs/dbraw/zinc/44/00/33/555440033.db2.gz GLCDHFYSOJXWLM-GCZHVTBPSA-N 1 2 605.488 6.439 40 0 KKABLO Nc1[nH]c2cc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)ccc2[nH+]1 ZINC000207224318 562876703 /nfs/dbraw/zinc/87/67/03/562876703.db2.gz NLTQZTZBFNPMDH-UHFFFAOYSA-N 1 2 534.957 5.188 40 0 KKABLO Nc1[nH]c2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cc2[nH+]1 ZINC000207224318 562876704 /nfs/dbraw/zinc/87/67/04/562876704.db2.gz NLTQZTZBFNPMDH-UHFFFAOYSA-N 1 2 534.957 5.188 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc(OC)c3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288097 571361479 /nfs/dbraw/zinc/36/14/79/571361479.db2.gz HEZOLSWARVYMRV-YUIGLEDNSA-N 1 2 584.672 6.466 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc(OC)c3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288097 571361481 /nfs/dbraw/zinc/36/14/81/571361481.db2.gz HEZOLSWARVYMRV-YUIGLEDNSA-N 1 2 584.672 6.466 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cc(OC)ccc3OC)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287960 571361527 /nfs/dbraw/zinc/36/15/27/571361527.db2.gz KITQYGYVCYNJBY-FBMCJCTKSA-N 1 2 614.698 6.474 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cc(OC)ccc3OC)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287960 571361529 /nfs/dbraw/zinc/36/15/29/571361529.db2.gz KITQYGYVCYNJBY-FBMCJCTKSA-N 1 2 614.698 6.474 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288064 571361560 /nfs/dbraw/zinc/36/15/60/571361560.db2.gz HMSACZQRUSJPKE-YUIGLEDNSA-N 1 2 598.655 6.186 40 0 KKABLO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288064 571361561 /nfs/dbraw/zinc/36/15/61/571361561.db2.gz HMSACZQRUSJPKE-YUIGLEDNSA-N 1 2 598.655 6.186 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000103528256 571361750 /nfs/dbraw/zinc/36/17/50/571361750.db2.gz KOWNEUAZNSISRI-JWXXLELASA-N 1 2 584.672 6.464 40 0 KKABLO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000103528256 571361751 /nfs/dbraw/zinc/36/17/51/571361751.db2.gz KOWNEUAZNSISRI-JWXXLELASA-N 1 2 584.672 6.464 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104075958 571372287 /nfs/dbraw/zinc/37/22/87/571372287.db2.gz FZDYDBZLNGWCSE-XCRHCGELSA-N 1 2 586.644 5.694 40 0 KKABLO COc1cc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104075958 571372288 /nfs/dbraw/zinc/37/22/88/571372288.db2.gz FZDYDBZLNGWCSE-XCRHCGELSA-N 1 2 586.644 5.694 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(I)cc4)cc3n2)c(C)c1 ZINC000104329736 571379229 /nfs/dbraw/zinc/37/92/29/571379229.db2.gz KTZNMIXVIHGVAF-UHFFFAOYSA-N 1 2 539.421 5.740 40 0 KKABLO CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1Br ZINC000105025998 571389859 /nfs/dbraw/zinc/38/98/59/571389859.db2.gz YSOJMGBPUCKGBL-UHFFFAOYSA-N 1 2 581.540 5.863 40 0 KKABLO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1)c1ccc2nsnc2c1 ZINC000105222690 571392244 /nfs/dbraw/zinc/39/22/44/571392244.db2.gz PSKJGACQOOTWQC-UHFFFAOYSA-N 1 2 557.532 5.447 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3n2)cc1 ZINC000105313853 571398100 /nfs/dbraw/zinc/39/81/00/571398100.db2.gz RNEFKBJDRWRHLT-UHFFFAOYSA-N 1 2 593.540 7.269 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(I)cc4)cc3n2)cc1 ZINC000105313813 571398117 /nfs/dbraw/zinc/39/81/17/571398117.db2.gz BYIQFEJYTCHQDY-UHFFFAOYSA-N 1 2 584.487 5.307 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c(Br)c4)cc3n2)cc1 ZINC000105313821 571398134 /nfs/dbraw/zinc/39/81/34/571398134.db2.gz PGZAYVNIVVPYET-UHFFFAOYSA-N 1 2 567.513 5.473 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4I)cc3n2)c(C)c1 ZINC000105313949 571398228 /nfs/dbraw/zinc/39/82/28/571398228.db2.gz WFXQYSVTYDAHNR-UHFFFAOYSA-N 1 2 598.514 5.615 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3n2)cc1 ZINC000105320836 571402328 /nfs/dbraw/zinc/40/23/28/571402328.db2.gz RYZXKGDVBYYGKX-UHFFFAOYSA-N 1 2 544.453 6.850 40 0 KKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Br)cc(Br)c4OC)cc3n2)c(C)c1 ZINC000105320928 571402339 /nfs/dbraw/zinc/40/23/39/571402339.db2.gz QORRKUBNVUTXIF-UHFFFAOYSA-N 1 2 601.343 6.669 40 0 KKABLO O=C1C[C@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000105330990 571403334 /nfs/dbraw/zinc/40/33/34/571403334.db2.gz CTNXHLJJUBBZSG-DEOSSOPVSA-N 1 2 530.402 5.311 40 0 KKABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223199222 571443851 /nfs/dbraw/zinc/44/38/51/571443851.db2.gz QDVQJEJTEASLBD-DNQXCXABSA-N 1 2 515.104 5.174 40 0 KKABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1CCC[NH+]1CCOCC1 ZINC000223202001 571444268 /nfs/dbraw/zinc/44/42/68/571444268.db2.gz CTRSBFTXYVQDRO-ZEQRLZLVSA-N 1 2 517.482 5.343 40 0 KKABLO CCOC(=O)[C@@H](C)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382637 571467266 /nfs/dbraw/zinc/46/72/66/571467266.db2.gz QMRLLTMNQJHCEC-DFABAFTESA-N 1 2 704.936 8.730 40 0 KKABLO CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382870 571467416 /nfs/dbraw/zinc/46/74/16/571467416.db2.gz AUNVCPABFDBZRA-URZIEALYSA-N 1 2 797.033 9.658 40 0 KKABLO O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382732 571467444 /nfs/dbraw/zinc/46/74/44/571467444.db2.gz BEHNBKWCWKCQRR-GTMCEHENSA-N 1 2 793.045 10.396 40 0 KKABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cccc2ccccc21 ZINC000224306129 571518217 /nfs/dbraw/zinc/51/82/17/571518217.db2.gz BJFSMAHIAFTEDG-UHFFFAOYSA-N 1 2 510.590 5.114 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000224504313 571562333 /nfs/dbraw/zinc/56/23/33/571562333.db2.gz WUEXZXSQRSGMSD-JWQCQUIFSA-N 1 2 518.484 5.878 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224514746 571564271 /nfs/dbraw/zinc/56/42/71/571564271.db2.gz RWIQEIACMKTIBY-UHFFFAOYSA-N 1 2 530.665 5.649 40 0 KKABLO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000215975261 571590215 /nfs/dbraw/zinc/59/02/15/571590215.db2.gz NQUYHYBAKKUSGC-UHFFFAOYSA-N 1 2 571.102 6.160 40 0 KKABLO Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224678728 571601738 /nfs/dbraw/zinc/60/17/38/571601738.db2.gz PLKKAQDQXOKFJZ-ACHIHNKUSA-N 1 2 545.712 7.216 40 0 KKABLO COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000224062320 571604884 /nfs/dbraw/zinc/60/48/84/571604884.db2.gz PLLKOHVTCJRYBT-NSOVKSMOSA-N 1 2 548.112 5.794 40 0 KKABLO Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NC(=O)C(C)C ZINC000224101017 571610128 /nfs/dbraw/zinc/61/01/28/571610128.db2.gz LAZIQBOHJNEDBR-WDYNHAJCSA-N 1 2 538.721 6.018 40 0 KKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224840156 571622256 /nfs/dbraw/zinc/62/22/56/571622256.db2.gz FXWUXHQTKGSCTB-JXMROGBWSA-N 1 2 568.139 5.031 40 0 KKABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000224965435 571634620 /nfs/dbraw/zinc/63/46/20/571634620.db2.gz OBFGFMXFWMYNIE-IZZNHLLZSA-N 1 2 504.059 5.777 40 0 KKABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000224965349 571634629 /nfs/dbraw/zinc/63/46/29/571634629.db2.gz OBFGFMXFWMYNIE-UIOOFZCWSA-N 1 2 504.059 5.777 40 0 KKABLO CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000225137152 571650861 /nfs/dbraw/zinc/65/08/61/571650861.db2.gz VUPYKHVPJCANJK-IZLXSDGUSA-N 1 2 559.139 6.363 40 0 KKABLO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1OC ZINC000225193540 571656569 /nfs/dbraw/zinc/65/65/69/571656569.db2.gz ZCVDIQHGGFCXHJ-FQLXRVMXSA-N 1 2 540.693 5.473 40 0 KKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000225709657 572039627 /nfs/dbraw/zinc/03/96/27/572039627.db2.gz PFOYYTZUDGIJIH-AJQTZOPKSA-N 1 2 560.727 6.093 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc(Cl)cc(Br)c1OC(=O)CC ZINC000261361582 572103658 /nfs/dbraw/zinc/10/36/58/572103658.db2.gz ABFXTFCUQYCLED-QHCPKHFHSA-O 1 2 578.896 5.284 40 0 KKABLO CCCCOc1ccc2ccccc2c1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCCCC)n[n+]21 ZINC000261361707 572103870 /nfs/dbraw/zinc/10/38/70/572103870.db2.gz APCRRIKDISTUHH-GDLZYMKVSA-O 1 2 529.686 6.274 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OCc2ccccc2)c(Br)c1 ZINC000261362647 572104113 /nfs/dbraw/zinc/10/41/13/572104113.db2.gz MOQGZFUSCPMMGP-SANMLTNESA-O 1 2 564.485 5.504 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261362390 572104254 /nfs/dbraw/zinc/10/42/54/572104254.db2.gz JEQVVNUTDBIGQD-IBGZPJMESA-O 1 2 553.300 5.622 40 0 KKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1Br ZINC000261362759 572104598 /nfs/dbraw/zinc/10/45/98/572104598.db2.gz FATNEXLBFNOXFQ-HSZRJFAPSA-O 1 2 514.469 5.485 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2cccc(Cl)c2)o1 ZINC000261363079 572104666 /nfs/dbraw/zinc/10/46/66/572104666.db2.gz FVWMMRRREQBFBW-RUZDIDTESA-O 1 2 508.023 5.856 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1cc(Br)cc(Br)c1OC ZINC000261363346 572105103 /nfs/dbraw/zinc/10/51/03/572105103.db2.gz GXGUIYQANSVZMW-FQEVSTJZSA-O 1 2 646.179 5.458 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000261363575 572105320 /nfs/dbraw/zinc/10/53/20/572105320.db2.gz HPQYOXLOWZEUAN-RUZDIDTESA-O 1 2 508.023 5.774 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1cc(Br)cc(Br)c1OC ZINC000261363347 572105385 /nfs/dbraw/zinc/10/53/85/572105385.db2.gz GXGUIYQANSVZMW-HXUWFJFHSA-O 1 2 646.179 5.458 40 0 KKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000261363772 572105763 /nfs/dbraw/zinc/10/57/63/572105763.db2.gz IDQWNDJVSQZSBS-MHZLTWQESA-O 1 2 542.040 6.288 40 0 KKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000261363825 572105878 /nfs/dbraw/zinc/10/58/78/572105878.db2.gz WRKVQQCWGKBFTM-RUZDIDTESA-O 1 2 629.354 5.876 40 0 KKABLO CCOc1cc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OCc1ccccc1 ZINC000261363933 572105956 /nfs/dbraw/zinc/10/59/56/572105956.db2.gz IPJVZHOXHGWHQX-MUUNZHRXSA-O 1 2 529.642 5.140 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000261364712 572106855 /nfs/dbraw/zinc/10/68/55/572106855.db2.gz NCBBHXNHQBAZPQ-LJAQVGFWSA-O 1 2 578.114 6.183 40 0 KKABLO CCOc1c(Br)cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc1OC ZINC000261364547 572106904 /nfs/dbraw/zinc/10/69/04/572106904.db2.gz MBJUJZZYKDTNON-MHZLTWQESA-O 1 2 628.956 6.166 40 0 KKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2cccc(Br)c2)o1 ZINC000261365083 572107266 /nfs/dbraw/zinc/10/72/66/572107266.db2.gz PWORIKSCEUKAMM-XMMPIXPASA-O 1 2 538.447 5.575 40 0 KKABLO CC(=O)Oc1ccc(Br)c([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)c1 ZINC000261365431 572107852 /nfs/dbraw/zinc/10/78/52/572107852.db2.gz SFJYCVJHFKNNFY-AREMUKBSSA-O 1 2 578.468 5.030 40 0 KKABLO O=c1[nH]c(SCc2ccccc2Cl)n[n+]2c1-c1ccccc1N[C@@H]2c1cc(I)c(O)c(I)c1 ZINC000261365510 572107888 /nfs/dbraw/zinc/10/78/88/572107888.db2.gz SVULLNYZXOPQIS-NRFANRHFSA-O 1 2 701.735 5.970 40 0 KKABLO CCOc1cc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(I)c1OCc1ccccc1 ZINC000261365341 572107969 /nfs/dbraw/zinc/10/79/69/572107969.db2.gz RLXRCRFDHNBDLR-NDEPHWFRSA-O 1 2 655.538 5.744 40 0 KKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cccc(OC)c1OCc1ccccc1 ZINC000261366061 572108541 /nfs/dbraw/zinc/10/85/41/572108541.db2.gz XEAJTLPDKWKLNV-NDEPHWFRSA-O 1 2 529.642 5.140 40 0 KKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC)c1OCc1ccccc1 ZINC000261366016 572108546 /nfs/dbraw/zinc/10/85/46/572108546.db2.gz WYDAHQKKBVUAFD-GDLZYMKVSA-O 1 2 543.669 5.530 40 0 KKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(OCC)ccc2ccccc21 ZINC000261365778 572108639 /nfs/dbraw/zinc/10/86/39/572108639.db2.gz VEZUANZVCMCYON-NDEPHWFRSA-O 1 2 515.659 5.884 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408563377 572249203 /nfs/dbraw/zinc/24/92/03/572249203.db2.gz LKFBJLLGLXOKJP-DHZHZOJOSA-N 1 2 581.738 5.840 40 0 KKABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2Cl)c1C ZINC000408607500 572275200 /nfs/dbraw/zinc/27/52/00/572275200.db2.gz MPPKPEHRYOILEQ-YRNVUSSQSA-N 1 2 524.086 5.229 40 0 KKABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc2C)cc1 ZINC000408614969 572278057 /nfs/dbraw/zinc/27/80/57/572278057.db2.gz KGTWSHHGSMRSPZ-RMKNXTFCSA-N 1 2 538.113 5.010 40 0 KKABLO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408618060 572279843 /nfs/dbraw/zinc/27/98/43/572279843.db2.gz CIYLGJALPJMLFB-QPJJXVBHSA-N 1 2 558.531 5.042 40 0 KKABLO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000408623814 572282909 /nfs/dbraw/zinc/28/29/09/572282909.db2.gz ZKZROISSQJHLLP-DHZHZOJOSA-N 1 2 600.184 6.515 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2ccc(Br)cc2F)C1 ZINC000257200931 572306372 /nfs/dbraw/zinc/30/63/72/572306372.db2.gz AFJMNIRDKCJRJR-JWQCQUIFSA-N 1 2 547.852 5.626 40 0 KKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2ccc(Br)cc2F)C1 ZINC000257200931 572306373 /nfs/dbraw/zinc/30/63/73/572306373.db2.gz AFJMNIRDKCJRJR-JWQCQUIFSA-N 1 2 547.852 5.626 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257206210 572306846 /nfs/dbraw/zinc/30/68/46/572306846.db2.gz BCJMVXFLMJJGGT-UHFFFAOYSA-N 1 2 541.611 5.129 40 0 KKABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257229980 572309209 /nfs/dbraw/zinc/30/92/09/572309209.db2.gz GAEWTVAMAKOQMI-UHFFFAOYSA-N 1 2 574.719 5.372 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc(OCc5ccccc5)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257242956 572310368 /nfs/dbraw/zinc/31/03/68/572310368.db2.gz IEXHMQHDTAXZNN-BFGHFXMOSA-N 1 2 605.801 5.483 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc(OCc5ccccc5)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257242956 572310369 /nfs/dbraw/zinc/31/03/69/572310369.db2.gz IEXHMQHDTAXZNN-BFGHFXMOSA-N 1 2 605.801 5.483 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc(OCc5ccccc5)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257242957 572310407 /nfs/dbraw/zinc/31/04/07/572310407.db2.gz IEXHMQHDTAXZNN-NHZFLZHXSA-N 1 2 605.801 5.483 40 0 KKABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc(OCc5ccccc5)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257242957 572310408 /nfs/dbraw/zinc/31/04/08/572310408.db2.gz IEXHMQHDTAXZNN-NHZFLZHXSA-N 1 2 605.801 5.483 40 0 KKABLO Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)C[N@H+](Cc3ccccc3Oc3cccc(Cl)c3)CCO2)cc(C)c1Cl ZINC000257280861 572313880 /nfs/dbraw/zinc/31/38/80/572313880.db2.gz OMSNZZOIQWUIBI-XIFFEERXSA-N 1 2 613.582 6.426 40 0 KKABLO Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)C[N@@H+](Cc3ccccc3Oc3cccc(Cl)c3)CCO2)cc(C)c1Cl ZINC000257280861 572313881 /nfs/dbraw/zinc/31/38/81/572313881.db2.gz OMSNZZOIQWUIBI-XIFFEERXSA-N 1 2 613.582 6.426 40 0 KKABLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)Cc5ccccc5)C(C)(C)C4)CC3)n2)cc1 ZINC000257306053 572316482 /nfs/dbraw/zinc/31/64/82/572316482.db2.gz SSRYEFCLYTXGRI-UHFFFAOYSA-N 1 2 552.766 5.154 40 0 KKABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC2 ZINC000257306680 572316484 /nfs/dbraw/zinc/31/64/84/572316484.db2.gz SVIMENZJDNOEIK-UHFFFAOYSA-N 1 2 544.039 5.253 40 0 KKABLO