smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000000694944 551528066 /nfs/dbraw/zinc/52/80/66/551528066.db2.gz DGNAFCPDCPNANN-UHFFFAOYSA-N 1 2 531.476 3.966 50 0 KHAALO Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cs2)CC(C)C)cc1 ZINC000000697616 551528318 /nfs/dbraw/zinc/52/83/18/551528318.db2.gz YCQOZFPLAOCSMW-UHFFFAOYSA-N 1 2 591.734 3.804 50 0 KHAALO Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cs2)C(C)C)cc1 ZINC000000697901 551528672 /nfs/dbraw/zinc/52/86/72/551528672.db2.gz KTDJMHSNZOQMQA-UHFFFAOYSA-N 1 2 577.707 3.556 50 0 KHAALO O=C1C[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000000729207 132223830 /nfs/dbraw/zinc/22/38/30/132223830.db2.gz RYKOVJQPPQESAN-GOSISDBHSA-N 1 2 529.300 3.764 50 0 KHAALO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001242598 551630888 /nfs/dbraw/zinc/63/08/88/551630888.db2.gz VOLWCVWAWZLVHW-RUZDIDTESA-N 1 2 552.587 3.797 50 0 KHAALO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001242598 551630884 /nfs/dbraw/zinc/63/08/84/551630884.db2.gz VOLWCVWAWZLVHW-RUZDIDTESA-N 1 2 552.587 3.797 50 0 KHAALO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001242600 551630991 /nfs/dbraw/zinc/63/09/91/551630991.db2.gz VOLWCVWAWZLVHW-VWLOTQADSA-N 1 2 552.587 3.797 50 0 KHAALO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001242600 551630988 /nfs/dbraw/zinc/63/09/88/551630988.db2.gz VOLWCVWAWZLVHW-VWLOTQADSA-N 1 2 552.587 3.797 50 0 KHAALO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[N@H+]1Cc2ccccc2C[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001272901 551635249 /nfs/dbraw/zinc/63/52/49/551635249.db2.gz LSZXJGUXDMQBQF-FQEVSTJZSA-N 1 2 552.587 3.625 50 0 KHAALO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001272901 551635246 /nfs/dbraw/zinc/63/52/46/551635246.db2.gz LSZXJGUXDMQBQF-FQEVSTJZSA-N 1 2 552.587 3.625 50 0 KHAALO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001272903 551635290 /nfs/dbraw/zinc/63/52/90/551635290.db2.gz LSZXJGUXDMQBQF-HXUWFJFHSA-N 1 2 552.587 3.625 50 0 KHAALO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001272903 551635286 /nfs/dbraw/zinc/63/52/86/551635286.db2.gz LSZXJGUXDMQBQF-HXUWFJFHSA-N 1 2 552.587 3.625 50 0 KHAALO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001283212 551636754 /nfs/dbraw/zinc/63/67/54/551636754.db2.gz WAADQRKJXSWLHF-XMMPIXPASA-N 1 2 582.613 3.806 50 0 KHAALO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001283212 551636753 /nfs/dbraw/zinc/63/67/53/551636753.db2.gz WAADQRKJXSWLHF-XMMPIXPASA-N 1 2 582.613 3.806 50 0 KHAALO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001283214 551636771 /nfs/dbraw/zinc/63/67/71/551636771.db2.gz WAADQRKJXSWLHF-DEOSSOPVSA-N 1 2 582.613 3.806 50 0 KHAALO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001283214 551636769 /nfs/dbraw/zinc/63/67/69/551636769.db2.gz WAADQRKJXSWLHF-DEOSSOPVSA-N 1 2 582.613 3.806 50 0 KHAALO COc1cccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)c1 ZINC000001323469 551642205 /nfs/dbraw/zinc/64/22/05/551642205.db2.gz OBMKSNSXQAEZGH-RQSLGCGOSA-N 1 2 586.645 3.646 50 0 biogenic KHAALO COc1cccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)c1 ZINC000001323469 551642201 /nfs/dbraw/zinc/64/22/01/551642201.db2.gz OBMKSNSXQAEZGH-RQSLGCGOSA-N 1 2 586.645 3.646 50 0 biogenic KHAALO Cc1c2c(cc(=O)n1CC[NH+]1CCOCC1)n(Cc1ccccc1Cl)n(-c1nc3ccccc3s1)c2=O ZINC000001413819 551666011 /nfs/dbraw/zinc/66/60/11/551666011.db2.gz AYLMRFUCWAQCNS-UHFFFAOYSA-N 1 2 536.057 3.906 50 0 KHAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)c2cc1OC ZINC000001438894 551672448 /nfs/dbraw/zinc/67/24/48/551672448.db2.gz LDLCLQISTOPJFC-UHFFFAOYSA-N 1 2 578.647 3.851 50 0 KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000002100833 551762244 /nfs/dbraw/zinc/76/22/44/551762244.db2.gz SCYJULKYDWYJQC-UHFFFAOYSA-N 1 2 502.365 3.731 50 0 biogenic KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000002100833 551762242 /nfs/dbraw/zinc/76/22/42/551762242.db2.gz SCYJULKYDWYJQC-UHFFFAOYSA-N 1 2 502.365 3.731 50 0 biogenic KHAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(C(C)C)cc3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002119390 551769811 /nfs/dbraw/zinc/76/98/11/551769811.db2.gz SNOHKUOVOVOBSB-FFWRNVBBSA-N 1 2 568.674 3.912 50 0 biogenic KHAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(C(C)C)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002119390 551769809 /nfs/dbraw/zinc/76/98/09/551769809.db2.gz SNOHKUOVOVOBSB-FFWRNVBBSA-N 1 2 568.674 3.912 50 0 biogenic KHAALO COc1ccc2c(c1)[C@@H]1CN(C(=O)C[N@H+]3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)CC[C@@H]1N2 ZINC000002129372 551772407 /nfs/dbraw/zinc/77/24/07/551772407.db2.gz RQHUJPUEXQLHJP-PIZZNKLWSA-N 1 2 536.632 3.701 50 0 biogenic KHAALO COc1ccc2c(c1)[C@@H]1CN(C(=O)C[N@@H+]3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)CC[C@@H]1N2 ZINC000002129372 551772406 /nfs/dbraw/zinc/77/24/06/551772406.db2.gz RQHUJPUEXQLHJP-PIZZNKLWSA-N 1 2 536.632 3.701 50 0 biogenic KHAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cccc4ccccc43)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139210 551774427 /nfs/dbraw/zinc/77/44/27/551774427.db2.gz NHYNHBHHRRLDCE-HLBJECCASA-N 1 2 576.653 3.941 50 0 biogenic KHAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cccc4ccccc43)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139210 551774424 /nfs/dbraw/zinc/77/44/24/551774424.db2.gz NHYNHBHHRRLDCE-HLBJECCASA-N 1 2 576.653 3.941 50 0 biogenic KHAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3cccc4ccccc43)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139212 551774398 /nfs/dbraw/zinc/77/43/98/551774398.db2.gz NHYNHBHHRRLDCE-GSMFYCGBSA-N 1 2 576.653 3.941 50 0 biogenic KHAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3cccc4ccccc43)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139212 551774395 /nfs/dbraw/zinc/77/43/95/551774395.db2.gz NHYNHBHHRRLDCE-GSMFYCGBSA-N 1 2 576.653 3.941 50 0 biogenic KHAALO CCOc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002139479 551774640 /nfs/dbraw/zinc/77/46/40/551774640.db2.gz FFXRJMBKRMFLEQ-RNDKRWLGSA-N 1 2 568.674 3.741 50 0 biogenic KHAALO CCOc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002139479 551774638 /nfs/dbraw/zinc/77/46/38/551774638.db2.gz FFXRJMBKRMFLEQ-RNDKRWLGSA-N 1 2 568.674 3.741 50 0 biogenic KHAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)c1ccccc1 ZINC000002185547 551786576 /nfs/dbraw/zinc/78/65/76/551786576.db2.gz VWRPPYVEHRTLFZ-UHFFFAOYSA-N 1 2 549.682 3.873 50 0 KHAALO Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000002226783 551797092 /nfs/dbraw/zinc/79/70/92/551797092.db2.gz AHDVYFYWHFFYMI-UHFFFAOYSA-N 1 2 517.611 3.790 50 0 KHAALO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(=O)NC)C1 ZINC000002725192 552166654 /nfs/dbraw/zinc/16/66/54/552166654.db2.gz PYMLRHLGNABFST-UHFFFAOYSA-N 1 2 512.657 3.563 50 0 KHAALO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(=O)NC)C1 ZINC000002725192 552166653 /nfs/dbraw/zinc/16/66/53/552166653.db2.gz PYMLRHLGNABFST-UHFFFAOYSA-N 1 2 512.657 3.563 50 0 KHAALO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000002725216 552166844 /nfs/dbraw/zinc/16/68/44/552166844.db2.gz GFCUHRKMYRNCDY-UHFFFAOYSA-N 1 2 540.711 3.949 50 0 KHAALO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000002725216 552166842 /nfs/dbraw/zinc/16/68/42/552166842.db2.gz GFCUHRKMYRNCDY-UHFFFAOYSA-N 1 2 540.711 3.949 50 0 KHAALO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3c4ccccc4n(CC)c3n1)C[N@H+](C)CC2 ZINC000002751107 552175707 /nfs/dbraw/zinc/17/57/07/552175707.db2.gz LWFKKXOKDFDCCV-UHFFFAOYSA-N 1 2 510.645 3.956 50 0 KHAALO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3c4ccccc4n(CC)c3n1)C[N@@H+](C)CC2 ZINC000002751107 552175704 /nfs/dbraw/zinc/17/57/04/552175704.db2.gz LWFKKXOKDFDCCV-UHFFFAOYSA-N 1 2 510.645 3.956 50 0 KHAALO Cc1c(C(=O)Nc2ccc(C)cc2Br)sc2ncn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)c12 ZINC000002912168 552215038 /nfs/dbraw/zinc/21/50/38/552215038.db2.gz JAQXUFIMXHPZAD-UHFFFAOYSA-N 1 2 581.496 3.833 50 0 KHAALO Cc1c(C(=O)Nc2ccc(C)c(Cl)c2)sc2ncn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)c12 ZINC000002912175 552215073 /nfs/dbraw/zinc/21/50/73/552215073.db2.gz IRGHAZKPYWCOBU-UHFFFAOYSA-N 1 2 537.045 3.724 50 0 KHAALO Cc1c(C(=O)Nc2ccc(Br)cc2C)sc2ncn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)c12 ZINC000002912184 552215090 /nfs/dbraw/zinc/21/50/90/552215090.db2.gz JNOPADKUOSVLRC-UHFFFAOYSA-N 1 2 581.496 3.833 50 0 KHAALO CCNc1nc(N2n3c(=O)c4c(nc3SC[C@]2(O)c2ccc(OC)cc2)sc2c4CCCC2)nc(NCC)[nH+]1 ZINC000002921906 552220973 /nfs/dbraw/zinc/22/09/73/552220973.db2.gz MKNBAZXQLKMIIJ-SANMLTNESA-N 1 2 566.713 3.615 50 0 KHAALO CCNc1nc(N2n3c(=O)c4c(nc3SC[C@@]2(O)c2ccc(OC)cc2)sc2c4CCCC2)nc(NCC)[nH+]1 ZINC000002921908 552220933 /nfs/dbraw/zinc/22/09/33/552220933.db2.gz MKNBAZXQLKMIIJ-AREMUKBSSA-N 1 2 566.713 3.615 50 0 KHAALO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000002925709 552223536 /nfs/dbraw/zinc/22/35/36/552223536.db2.gz FCBKKMVRTDWCRF-UHFFFAOYSA-N 1 2 556.570 3.781 50 0 KHAALO NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Br)CC1 ZINC000002950301 552228960 /nfs/dbraw/zinc/22/89/60/552228960.db2.gz KNCDYAADAKCNKA-UHFFFAOYSA-N 1 2 523.225 3.578 50 0 KHAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C3CCCCC3)cc1)C[N@H+](C)CC2 ZINC000003006884 552254361 /nfs/dbraw/zinc/25/43/61/552254361.db2.gz FPRNGUIEOQHBRE-UHFFFAOYSA-N 1 2 505.662 3.728 50 0 KHAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C3CCCCC3)cc1)C[N@@H+](C)CC2 ZINC000003006884 552254360 /nfs/dbraw/zinc/25/43/60/552254360.db2.gz FPRNGUIEOQHBRE-UHFFFAOYSA-N 1 2 505.662 3.728 50 0 KHAALO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@H+](C)C3)cc1 ZINC000003006901 552254353 /nfs/dbraw/zinc/25/43/53/552254353.db2.gz YJSUUCBSSKVRSY-UHFFFAOYSA-N 1 2 507.678 3.976 50 0 KHAALO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@@H+](C)C3)cc1 ZINC000003006901 552254352 /nfs/dbraw/zinc/25/43/52/552254352.db2.gz YJSUUCBSSKVRSY-UHFFFAOYSA-N 1 2 507.678 3.976 50 0 KHAALO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@H+](C)C3)cc1 ZINC000003006908 552254304 /nfs/dbraw/zinc/25/43/04/552254304.db2.gz CPOOLCJWYWKSSA-UHFFFAOYSA-N 1 2 507.678 3.976 50 0 KHAALO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@@H+](C)C3)cc1 ZINC000003006908 552254303 /nfs/dbraw/zinc/25/43/03/552254303.db2.gz CPOOLCJWYWKSSA-UHFFFAOYSA-N 1 2 507.678 3.976 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000003006914 552254277 /nfs/dbraw/zinc/25/42/77/552254277.db2.gz SYFPWBKJRVWVBC-INIZCTEOSA-N 1 2 505.662 3.728 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC[N@H+](C)C2 ZINC000003006914 552254275 /nfs/dbraw/zinc/25/42/75/552254275.db2.gz SYFPWBKJRVWVBC-INIZCTEOSA-N 1 2 505.662 3.728 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000003006915 552254271 /nfs/dbraw/zinc/25/42/71/552254271.db2.gz FWEXGWOGEUZDQC-INIZCTEOSA-N 1 2 505.662 3.586 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2c1CC[N@H+](C)C2 ZINC000003006915 552254269 /nfs/dbraw/zinc/25/42/69/552254269.db2.gz FWEXGWOGEUZDQC-INIZCTEOSA-N 1 2 505.662 3.586 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000003006916 552254370 /nfs/dbraw/zinc/25/43/70/552254370.db2.gz LRXROWLUGYMAAR-UHFFFAOYSA-N 1 2 505.662 3.586 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CC[N@H+](C)C2 ZINC000003006916 552254369 /nfs/dbraw/zinc/25/43/69/552254369.db2.gz LRXROWLUGYMAAR-UHFFFAOYSA-N 1 2 505.662 3.586 50 0 KHAALO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@H+](C)CC2 ZINC000003006922 552254338 /nfs/dbraw/zinc/25/43/38/552254338.db2.gz AWZRUBWCRAXMEG-UHFFFAOYSA-N 1 2 505.662 3.730 50 0 KHAALO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@@H+](C)CC2 ZINC000003006922 552254337 /nfs/dbraw/zinc/25/43/37/552254337.db2.gz AWZRUBWCRAXMEG-UHFFFAOYSA-N 1 2 505.662 3.730 50 0 KHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003220895 552309868 /nfs/dbraw/zinc/30/98/68/552309868.db2.gz MCGZYOYIBBVSFN-UHFFFAOYSA-N 1 2 577.526 3.737 50 0 KHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003220895 552309865 /nfs/dbraw/zinc/30/98/65/552309865.db2.gz MCGZYOYIBBVSFN-UHFFFAOYSA-N 1 2 577.526 3.737 50 0 KHAALO CC(C)CNS(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)cc1Cl ZINC000003304169 552347782 /nfs/dbraw/zinc/34/77/82/552347782.db2.gz ZKEYOZGVJNMWNE-UHFFFAOYSA-N 1 2 528.458 3.614 50 0 KHAALO CC[C@@H](c1nnc(Sc2nc(C)nc3sc4c(c32)CCCC4)n1CCN1CCOCC1)[NH+](C)C ZINC000003438561 552386822 /nfs/dbraw/zinc/38/68/22/552386822.db2.gz YIZFRFSMAYFDGK-SFHVURJKSA-N 1 2 501.726 3.966 50 0 KHAALO CC[C@H](c1nnc(Sc2nc(C)nc3sc4c(c32)CCCC4)n1CCN1CCOCC1)[NH+](C)C ZINC000003438563 552386914 /nfs/dbraw/zinc/38/69/14/552386914.db2.gz YIZFRFSMAYFDGK-GOSISDBHSA-N 1 2 501.726 3.966 50 0 KHAALO COc1cc(C(=O)Nc2ccc3[nH+]c(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc(OC)c1OC ZINC000003649981 552401726 /nfs/dbraw/zinc/40/17/26/552401726.db2.gz DEVHQDDOSCURKT-UHFFFAOYSA-N 1 2 514.586 3.938 50 0 KHAALO CCOc1ccc(-n2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660482 552405778 /nfs/dbraw/zinc/40/57/78/552405778.db2.gz CEULIARXBZVGAR-UHFFFAOYSA-N 1 2 514.582 3.764 50 0 KHAALO Cc1cc(C)c(NC(=O)CN2CCOCC[NH+](CC(=O)Nc3c(C)cc(C)cc3C)CCOCC2)c(C)c1 ZINC000004017644 552428622 /nfs/dbraw/zinc/42/86/22/552428622.db2.gz YJMJFTPMHOLWFV-UHFFFAOYSA-N 1 2 524.706 3.765 50 0 KHAALO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552309 552466901 /nfs/dbraw/zinc/46/69/01/552466901.db2.gz AIJAKDWIPKLHEV-SXOMAYOGSA-N 1 2 526.593 3.718 50 0 KHAALO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552309 552466898 /nfs/dbraw/zinc/46/68/98/552466898.db2.gz AIJAKDWIPKLHEV-SXOMAYOGSA-N 1 2 526.593 3.718 50 0 KHAALO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552310 552466841 /nfs/dbraw/zinc/46/68/41/552466841.db2.gz AIJAKDWIPKLHEV-KAYWLYCHSA-N 1 2 526.593 3.718 50 0 KHAALO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552310 552466839 /nfs/dbraw/zinc/46/68/39/552466839.db2.gz AIJAKDWIPKLHEV-KAYWLYCHSA-N 1 2 526.593 3.718 50 0 KHAALO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552311 552466925 /nfs/dbraw/zinc/46/69/25/552466925.db2.gz AIJAKDWIPKLHEV-SVBPBHIXSA-N 1 2 526.593 3.718 50 0 KHAALO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552311 552466922 /nfs/dbraw/zinc/46/69/22/552466922.db2.gz AIJAKDWIPKLHEV-SVBPBHIXSA-N 1 2 526.593 3.718 50 0 KHAALO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552312 552466932 /nfs/dbraw/zinc/46/69/32/552466932.db2.gz AIJAKDWIPKLHEV-RRPNLBNLSA-N 1 2 526.593 3.718 50 0 KHAALO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552312 552466930 /nfs/dbraw/zinc/46/69/30/552466930.db2.gz AIJAKDWIPKLHEV-RRPNLBNLSA-N 1 2 526.593 3.718 50 0 KHAALO CC[N@@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2c1=O)c1cccc(C)c1 ZINC000004766107 552480201 /nfs/dbraw/zinc/48/02/01/552480201.db2.gz SASZJRGUACUVAM-SFTDATJTSA-N 1 2 573.785 3.774 50 0 KHAALO CC[N@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2c1=O)c1cccc(C)c1 ZINC000004766107 552480199 /nfs/dbraw/zinc/48/01/99/552480199.db2.gz SASZJRGUACUVAM-SFTDATJTSA-N 1 2 573.785 3.774 50 0 KHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)cc12 ZINC000004787339 552482115 /nfs/dbraw/zinc/48/21/15/552482115.db2.gz IUMCUXHQGBZTLE-UHFFFAOYSA-N 1 2 505.594 3.586 50 0 KHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000004787354 552482050 /nfs/dbraw/zinc/48/20/50/552482050.db2.gz LMHXQQKGADTQJD-UHFFFAOYSA-N 1 2 505.594 3.586 50 0 KHAALO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800083 552486821 /nfs/dbraw/zinc/48/68/21/552486821.db2.gz JRNOASBGIVATNU-PDDLMNHVSA-N 1 2 543.620 3.871 50 0 KHAALO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800084 552486774 /nfs/dbraw/zinc/48/67/74/552486774.db2.gz JRNOASBGIVATNU-VIZCGCQYSA-N 1 2 543.620 3.871 50 0 KHAALO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800085 552486837 /nfs/dbraw/zinc/48/68/37/552486837.db2.gz JRNOASBGIVATNU-FREGXXQWSA-N 1 2 543.620 3.871 50 0 KHAALO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800086 552486825 /nfs/dbraw/zinc/48/68/25/552486825.db2.gz JRNOASBGIVATNU-YZNIXAGQSA-N 1 2 543.620 3.871 50 0 KHAALO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000006134373 552537070 /nfs/dbraw/zinc/53/70/70/552537070.db2.gz QXSZVRADXCOINV-UHFFFAOYSA-N 1 2 511.829 3.855 50 0 KHAALO O=C(CSc1nnc(CCCCCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000006154175 552552168 /nfs/dbraw/zinc/55/21/68/552552168.db2.gz CTIZCHYSTCRTLX-UHFFFAOYSA-N 1 2 612.756 3.658 50 0 KHAALO Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c(O)c3c2)c1 ZINC000006181303 552561597 /nfs/dbraw/zinc/56/15/97/552561597.db2.gz XGAIASIBNZNHAK-UHFFFAOYSA-N 1 2 544.677 3.928 50 0 KHAALO CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(O)c2c1 ZINC000006181359 552561798 /nfs/dbraw/zinc/56/17/98/552561798.db2.gz AOOPOJSMBVQSJX-UHFFFAOYSA-N 1 2 548.640 3.840 50 0 KHAALO Cc1ccccc1NC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1 ZINC000008438205 553033335 /nfs/dbraw/zinc/03/33/35/553033335.db2.gz WUFJRQAYNHHGCI-UHFFFAOYSA-N 1 2 578.724 3.937 50 0 KHAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)Nc1ccccc1 ZINC000008445156 553053424 /nfs/dbraw/zinc/05/34/24/553053424.db2.gz BQGIGEMILMLETR-UHFFFAOYSA-N 1 2 564.697 3.629 50 0 KHAALO Cc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)cc3s2)cc1 ZINC000008445158 553053421 /nfs/dbraw/zinc/05/34/21/553053421.db2.gz PUSGBPYCGNRMHL-UHFFFAOYSA-N 1 2 578.724 3.937 50 0 KHAALO C=C1C(NCCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000008587681 553080779 /nfs/dbraw/zinc/08/07/79/553080779.db2.gz LZXGLNRMXMSZJZ-UHFFFAOYSA-N 1 2 503.068 3.932 50 0 KHAALO CCn1cc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000008606516 553098466 /nfs/dbraw/zinc/09/84/66/553098466.db2.gz FUBRYBNWMOYEGX-KQWNVCNZSA-N 1 2 501.587 3.852 50 0 KHAALO CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000008606517 553098417 /nfs/dbraw/zinc/09/84/17/553098417.db2.gz KFQDFKSBVJEIRO-HAHDFKILSA-N 1 2 531.613 3.861 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21)c1cccc(C)c1 ZINC000008811269 553149081 /nfs/dbraw/zinc/14/90/81/553149081.db2.gz SGEZZWJKCKXKTI-NRFANRHFSA-N 1 2 524.687 3.904 50 0 KHAALO CC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21)c1cccc(C)c1 ZINC000008811269 553149078 /nfs/dbraw/zinc/14/90/78/553149078.db2.gz SGEZZWJKCKXKTI-NRFANRHFSA-N 1 2 524.687 3.904 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21)c1cccc(C)c1 ZINC000008811301 553149070 /nfs/dbraw/zinc/14/90/70/553149070.db2.gz VUCJPUZSIDBFMU-UHFFFAOYSA-N 1 2 510.660 3.658 50 0 KHAALO CC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21)c1cccc(C)c1 ZINC000008811301 553149069 /nfs/dbraw/zinc/14/90/69/553149069.db2.gz VUCJPUZSIDBFMU-UHFFFAOYSA-N 1 2 510.660 3.658 50 0 KHAALO CCCC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21)c1ccccc1 ZINC000008811405 553149127 /nfs/dbraw/zinc/14/91/27/553149127.db2.gz LOYKAPWUYRAOSO-UHFFFAOYSA-N 1 2 510.660 3.739 50 0 KHAALO CCCC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21)c1ccccc1 ZINC000008811405 553149125 /nfs/dbraw/zinc/14/91/25/553149125.db2.gz LOYKAPWUYRAOSO-UHFFFAOYSA-N 1 2 510.660 3.739 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)c1ccccc1 ZINC000008813820 553151140 /nfs/dbraw/zinc/15/11/40/553151140.db2.gz IRFIAQKWTCSHFK-UHFFFAOYSA-N 1 2 510.660 3.739 50 0 KHAALO CC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)c1ccccc1 ZINC000008813820 553151137 /nfs/dbraw/zinc/15/11/37/553151137.db2.gz IRFIAQKWTCSHFK-UHFFFAOYSA-N 1 2 510.660 3.739 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2CCCc3c4cc(OCc5ccccc5)ccc4oc(=O)c32)CC1 ZINC000008830846 553158234 /nfs/dbraw/zinc/15/82/34/553158234.db2.gz IHTUQIPWEUKWSK-UHFFFAOYSA-N 1 2 504.583 3.926 50 0 KHAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000008857000 553167832 /nfs/dbraw/zinc/16/78/32/553167832.db2.gz KDZNBNNSMQHVIF-DELVEFKNSA-N 1 2 504.970 3.953 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000008880798 553175968 /nfs/dbraw/zinc/17/59/68/553175968.db2.gz SYFPWBKJRVWVBC-MRXNPFEDSA-N 1 2 505.662 3.728 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CC[N@H+](C)C2 ZINC000008880798 553175966 /nfs/dbraw/zinc/17/59/66/553175966.db2.gz SYFPWBKJRVWVBC-MRXNPFEDSA-N 1 2 505.662 3.728 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000008880811 553175993 /nfs/dbraw/zinc/17/59/93/553175993.db2.gz FWEXGWOGEUZDQC-MRXNPFEDSA-N 1 2 505.662 3.586 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CC[N@H+](C)C2 ZINC000008880811 553175991 /nfs/dbraw/zinc/17/59/91/553175991.db2.gz FWEXGWOGEUZDQC-MRXNPFEDSA-N 1 2 505.662 3.586 50 0 KHAALO CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCCn3cc[nH+]c3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008918549 553188475 /nfs/dbraw/zinc/18/84/75/553188475.db2.gz NPFCNMQOMXJFNL-CHJDUVSTSA-N 1 2 527.625 3.894 50 0 biogenic KHAALO CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCCn3cc[nH+]c3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008918550 553188442 /nfs/dbraw/zinc/18/84/42/553188442.db2.gz NPFCNMQOMXJFNL-RCRUUEGKSA-N 1 2 527.625 3.894 50 0 biogenic KHAALO Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCCn2cc[nH+]c2)cc1 ZINC000009184791 553216832 /nfs/dbraw/zinc/21/68/32/553216832.db2.gz IZKHFJVPLPFNMB-UHFFFAOYSA-N 1 2 502.643 3.816 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000009185603 553217237 /nfs/dbraw/zinc/21/72/37/553217237.db2.gz IIPXIDATKIXOBE-RQXXJAGISA-N 1 2 504.743 3.673 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000009185603 553217236 /nfs/dbraw/zinc/21/72/36/553217236.db2.gz IIPXIDATKIXOBE-RQXXJAGISA-N 1 2 504.743 3.673 50 0 KHAALO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000009233608 553224557 /nfs/dbraw/zinc/22/45/57/553224557.db2.gz WYTMSLGWTKPGMU-RDQAEZFGSA-N 1 2 514.003 3.545 50 0 KHAALO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000009233608 553224555 /nfs/dbraw/zinc/22/45/55/553224555.db2.gz WYTMSLGWTKPGMU-RDQAEZFGSA-N 1 2 514.003 3.545 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000009369203 553250122 /nfs/dbraw/zinc/25/01/22/553250122.db2.gz NBINGIQCNGWDIA-UHFFFAOYSA-N 1 2 513.641 3.990 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CC[N@H+](C)C2 ZINC000009369203 553250120 /nfs/dbraw/zinc/25/01/20/553250120.db2.gz NBINGIQCNGWDIA-UHFFFAOYSA-N 1 2 513.641 3.990 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000009369204 553250168 /nfs/dbraw/zinc/25/01/68/553250168.db2.gz PZPQMFQXLJSYDQ-CALCHBBNSA-N 1 2 519.689 3.832 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@H+](C)C2 ZINC000009369204 553250166 /nfs/dbraw/zinc/25/01/66/553250166.db2.gz PZPQMFQXLJSYDQ-CALCHBBNSA-N 1 2 519.689 3.832 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000009369205 553250101 /nfs/dbraw/zinc/25/01/01/553250101.db2.gz PZPQMFQXLJSYDQ-IAGOWNOFSA-N 1 2 519.689 3.832 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC[N@H+](C)C2 ZINC000009369205 553250100 /nfs/dbraw/zinc/25/01/00/553250100.db2.gz PZPQMFQXLJSYDQ-IAGOWNOFSA-N 1 2 519.689 3.832 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000009391449 553254151 /nfs/dbraw/zinc/25/41/51/553254151.db2.gz PZPQMFQXLJSYDQ-IRXDYDNUSA-N 1 2 519.689 3.832 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@H+](C)C2 ZINC000009391449 553254148 /nfs/dbraw/zinc/25/41/48/553254148.db2.gz PZPQMFQXLJSYDQ-IRXDYDNUSA-N 1 2 519.689 3.832 50 0 KHAALO CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2CCN(Cc4ccccc4)CC2)cn3C2CC2)CC1 ZINC000009423050 553258209 /nfs/dbraw/zinc/25/82/09/553258209.db2.gz PVBAWLJSMBMYMB-UHFFFAOYSA-N 1 2 517.649 3.575 50 0 KHAALO Cn1c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000009446448 553265571 /nfs/dbraw/zinc/26/55/71/553265571.db2.gz NPSJUVSMDIVCFY-UHFFFAOYSA-N 1 2 510.013 3.729 50 0 KHAALO Cc1[nH+]c2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)NC[C@@H]3CCCO3)n2n1 ZINC000009472114 553270119 /nfs/dbraw/zinc/27/01/19/553270119.db2.gz MKRVMTSONVRKRF-SFHVURJKSA-N 1 2 501.616 3.566 50 0 KHAALO Cc1[nH+]c2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)NC[C@H]3CCCO3)n2n1 ZINC000009472121 553270177 /nfs/dbraw/zinc/27/01/77/553270177.db2.gz MKRVMTSONVRKRF-GOSISDBHSA-N 1 2 501.616 3.566 50 0 KHAALO COc1ccc(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2S(=O)(=O)Nc2cccc(OC)c2)cc1 ZINC000009490097 553273468 /nfs/dbraw/zinc/27/34/68/553273468.db2.gz UVQRJVJKNRBKQF-UHFFFAOYSA-N 1 2 524.643 3.504 50 0 KHAALO COc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2NCc2ccccc2OC)c1 ZINC000009490098 553273486 /nfs/dbraw/zinc/27/34/86/553273486.db2.gz DYDYMTSBXOTUSL-UHFFFAOYSA-N 1 2 524.643 3.504 50 0 KHAALO COc1ccc(CCNC(=O)c2sc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c3c2C)cc1OC ZINC000009495134 553274235 /nfs/dbraw/zinc/27/42/35/553274235.db2.gz IXDCUTUVAQLZAU-UHFFFAOYSA-N 1 2 518.643 3.711 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)c1ccccc1 ZINC000009529944 553277286 /nfs/dbraw/zinc/27/72/86/553277286.db2.gz CRQWXIBZKSRTPM-RTWAWAEBSA-N 1 2 507.081 3.667 50 0 KHAALO CC[N@H+](CCCNC(=O)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)c1ccccc1 ZINC000009529944 553277284 /nfs/dbraw/zinc/27/72/84/553277284.db2.gz CRQWXIBZKSRTPM-RTWAWAEBSA-N 1 2 507.081 3.667 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1)c1ccccc1 ZINC000009529945 553277313 /nfs/dbraw/zinc/27/73/13/553277313.db2.gz CRQWXIBZKSRTPM-SFTDATJTSA-N 1 2 507.081 3.667 50 0 KHAALO CC[N@H+](CCCNC(=O)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1)c1ccccc1 ZINC000009529945 553277310 /nfs/dbraw/zinc/27/73/10/553277310.db2.gz CRQWXIBZKSRTPM-SFTDATJTSA-N 1 2 507.081 3.667 50 0 KHAALO COc1cc(NC(=O)CCC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc(OC)c1OC ZINC000009597547 553283961 /nfs/dbraw/zinc/28/39/61/553283961.db2.gz WKLGDGNJCLKKIR-UHFFFAOYSA-N 1 2 508.575 3.763 50 0 KHAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)cc12 ZINC000009598042 553284123 /nfs/dbraw/zinc/28/41/23/553284123.db2.gz QMDTURGEALNLTP-UHFFFAOYSA-N 1 2 501.635 3.637 50 0 KHAALO CC[N@@H+](CCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)c1ccccc1 ZINC000009608268 553287500 /nfs/dbraw/zinc/28/75/00/553287500.db2.gz MHNKWJOHEADLDF-UHFFFAOYSA-N 1 2 515.705 3.809 50 0 KHAALO CC[N@H+](CCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)c1ccccc1 ZINC000009608268 553287499 /nfs/dbraw/zinc/28/74/99/553287499.db2.gz MHNKWJOHEADLDF-UHFFFAOYSA-N 1 2 515.705 3.809 50 0 KHAALO COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCN(c5cccc[nH+]5)CC4)c(C)n3n2)c(OC)c1 ZINC000009610105 553288150 /nfs/dbraw/zinc/28/81/50/553288150.db2.gz NFETUKFBUUIOIJ-UHFFFAOYSA-N 1 2 500.603 3.707 50 0 KHAALO CC[N@@H+](CCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)c1ccccc1 ZINC000009610648 553288688 /nfs/dbraw/zinc/28/86/88/553288688.db2.gz ZJVNAOZGITVYID-HHHXNRCGSA-N 1 2 520.655 3.624 50 0 KHAALO CC[N@H+](CCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)c1ccccc1 ZINC000009610648 553288685 /nfs/dbraw/zinc/28/86/85/553288685.db2.gz ZJVNAOZGITVYID-HHHXNRCGSA-N 1 2 520.655 3.624 50 0 KHAALO CC[N@@H+](CCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)c1ccccc1 ZINC000009610649 553288755 /nfs/dbraw/zinc/28/87/55/553288755.db2.gz ZJVNAOZGITVYID-MHZLTWQESA-N 1 2 520.655 3.624 50 0 KHAALO CC[N@H+](CCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)c1ccccc1 ZINC000009610649 553288753 /nfs/dbraw/zinc/28/87/53/553288753.db2.gz ZJVNAOZGITVYID-MHZLTWQESA-N 1 2 520.655 3.624 50 0 KHAALO CCOC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(CCn3c(C)[nH+]c4ccccc43)nn21 ZINC000009681600 553296973 /nfs/dbraw/zinc/29/69/73/553296973.db2.gz YZRPKGCDHYCZKL-UHFFFAOYSA-N 1 2 506.588 3.851 50 0 KHAALO CC[N@@H+](CCCNC(=O)CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)c1cccc(C)c1 ZINC000009775595 553304327 /nfs/dbraw/zinc/30/43/27/553304327.db2.gz KZBDYGKWRHTKDK-UHFFFAOYSA-N 1 2 523.703 3.574 50 0 KHAALO CC[N@H+](CCCNC(=O)CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)c1cccc(C)c1 ZINC000009775595 553304325 /nfs/dbraw/zinc/30/43/25/553304325.db2.gz KZBDYGKWRHTKDK-UHFFFAOYSA-N 1 2 523.703 3.574 50 0 KHAALO COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776519 553305841 /nfs/dbraw/zinc/30/58/41/553305841.db2.gz DGQRKMVGIYUMKF-LEAFIULHSA-N 1 2 500.599 3.932 50 0 KHAALO COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776520 553305823 /nfs/dbraw/zinc/30/58/23/553305823.db2.gz DGQRKMVGIYUMKF-NAKRPHOHSA-N 1 2 500.599 3.932 50 0 KHAALO COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776521 553306095 /nfs/dbraw/zinc/30/60/95/553306095.db2.gz DGQRKMVGIYUMKF-LBNVMWSVSA-N 1 2 500.599 3.932 50 0 KHAALO COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776522 553306100 /nfs/dbraw/zinc/30/61/00/553306100.db2.gz DGQRKMVGIYUMKF-LSYYVWMOSA-N 1 2 500.599 3.932 50 0 KHAALO COC(=O)c1cc(NC(=O)C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000009972200 553323061 /nfs/dbraw/zinc/32/30/61/553323061.db2.gz MOBIBHLLJUUSRS-UHFFFAOYSA-N 1 2 516.594 3.846 50 0 KHAALO Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2nc(C)nc(N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000010013212 553325793 /nfs/dbraw/zinc/32/57/93/553325793.db2.gz LZPKBOWHDPYBNJ-UHFFFAOYSA-N 1 2 513.671 3.992 50 0 KHAALO COc1ccccc1N1CCN(C(=O)c2sc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c3c2C)CC1 ZINC000010013215 553325803 /nfs/dbraw/zinc/32/58/03/553325803.db2.gz CNRGCQAEKZRVAQ-UHFFFAOYSA-N 1 2 529.670 3.692 50 0 KHAALO Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000010013230 553325811 /nfs/dbraw/zinc/32/58/11/553325811.db2.gz AEVZCXMUOQHAFE-UHFFFAOYSA-N 1 2 517.634 3.823 50 0 KHAALO Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000010013248 553325852 /nfs/dbraw/zinc/32/58/52/553325852.db2.gz PENSDFVKPXURLT-UHFFFAOYSA-N 1 2 517.634 3.823 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C)c1ccccc1 ZINC000010013304 553325833 /nfs/dbraw/zinc/32/58/33/553325833.db2.gz QADLUCIEUMTJCR-IBGZPJMESA-N 1 2 509.676 3.814 50 0 KHAALO CC[N@H+](CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C)c1ccccc1 ZINC000010013304 553325831 /nfs/dbraw/zinc/32/58/31/553325831.db2.gz QADLUCIEUMTJCR-IBGZPJMESA-N 1 2 509.676 3.814 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C)c1ccccc1 ZINC000010013305 553325781 /nfs/dbraw/zinc/32/57/81/553325781.db2.gz QADLUCIEUMTJCR-LJQANCHMSA-N 1 2 509.676 3.814 50 0 KHAALO CC[N@H+](CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C)c1ccccc1 ZINC000010013305 553325780 /nfs/dbraw/zinc/32/57/80/553325780.db2.gz QADLUCIEUMTJCR-LJQANCHMSA-N 1 2 509.676 3.814 50 0 KHAALO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Nc4ccc(OC(F)(F)F)cc4)CC3)C2=O)cc1 ZINC000010078960 553327791 /nfs/dbraw/zinc/32/77/91/553327791.db2.gz JWHAPBXSKACYTL-OAQYLSRUSA-N 1 2 505.493 3.970 50 0 KHAALO COC(=O)c1sc(-n2c[nH+]c3cc(OC)c(OC)cc32)cc1OCc1ccc(S(C)(=O)=O)cc1 ZINC000011906985 553348527 /nfs/dbraw/zinc/34/85/27/553348527.db2.gz KRMVWHGJCPNNCW-UHFFFAOYSA-N 1 2 502.570 3.873 50 0 KHAALO COc1cc2[nH+]cn(-c3cc(OCc4ccc(S(C)(=O)=O)cc4)c(C(=O)N(C)C)s3)c2cc1OC ZINC000011906987 553348539 /nfs/dbraw/zinc/34/85/39/553348539.db2.gz BZQRFXLGIMVJTE-UHFFFAOYSA-N 1 2 515.613 3.789 50 0 KHAALO COC(=O)c1sc(-n2c[nH+]c3cc(OC)c(OC)cc32)cc1OCc1ccccc1S(C)(=O)=O ZINC000011906990 553348574 /nfs/dbraw/zinc/34/85/74/553348574.db2.gz NZWZZGFHQVULFS-UHFFFAOYSA-N 1 2 502.570 3.873 50 0 KHAALO COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1ccccn1 ZINC000011983349 1066503752 /nfs/dbraw/zinc/50/37/52/1066503752.db2.gz BHQZZTVUWDRCTM-UHFFFAOYSA-N 1 2 532.062 3.846 50 0 KHAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)c1 ZINC000012038953 1066504270 /nfs/dbraw/zinc/50/42/70/1066504270.db2.gz CYBHSVJEXMXEQN-SANMLTNESA-N 1 2 519.646 3.947 50 0 KHAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)c1 ZINC000012038953 1066504261 /nfs/dbraw/zinc/50/42/61/1066504261.db2.gz CYBHSVJEXMXEQN-SANMLTNESA-N 1 2 519.646 3.947 50 0 KHAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)c1 ZINC000012038958 1066504311 /nfs/dbraw/zinc/50/43/11/1066504311.db2.gz CYBHSVJEXMXEQN-AREMUKBSSA-N 1 2 519.646 3.947 50 0 KHAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)c1 ZINC000012038958 1066504302 /nfs/dbraw/zinc/50/43/02/1066504302.db2.gz CYBHSVJEXMXEQN-AREMUKBSSA-N 1 2 519.646 3.947 50 0 KHAALO C[N@@H+](Cc1ccon1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)cc1 ZINC000012039676 553350423 /nfs/dbraw/zinc/35/04/23/553350423.db2.gz VGDHHNMQPJQLIK-JOCHJYFZSA-N 1 2 503.603 3.767 50 0 KHAALO C[N@H+](Cc1ccon1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)cc1 ZINC000012039676 553350420 /nfs/dbraw/zinc/35/04/20/553350420.db2.gz VGDHHNMQPJQLIK-JOCHJYFZSA-N 1 2 503.603 3.767 50 0 KHAALO C[N@@H+](Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)cc1 ZINC000012039681 553350401 /nfs/dbraw/zinc/35/04/01/553350401.db2.gz VGDHHNMQPJQLIK-QFIPXVFZSA-N 1 2 503.603 3.767 50 0 KHAALO C[N@H+](Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)cc1 ZINC000012039681 553350398 /nfs/dbraw/zinc/35/03/98/553350398.db2.gz VGDHHNMQPJQLIK-QFIPXVFZSA-N 1 2 503.603 3.767 50 0 KHAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](C/C=C/c3ccccc3)C2)nn1 ZINC000012040722 553350503 /nfs/dbraw/zinc/35/05/03/553350503.db2.gz KCLKEHPKKXBZJG-OFKJGTHESA-N 1 2 513.520 3.729 50 0 KHAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](C/C=C/c3ccccc3)C2)nn1 ZINC000012040722 553350501 /nfs/dbraw/zinc/35/05/01/553350501.db2.gz KCLKEHPKKXBZJG-OFKJGTHESA-N 1 2 513.520 3.729 50 0 KHAALO O=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012152985 553352833 /nfs/dbraw/zinc/35/28/33/553352833.db2.gz VPYFSJRFGDONLA-UHFFFAOYSA-N 1 2 515.639 3.505 50 0 KHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)[N@@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000012166778 553353254 /nfs/dbraw/zinc/35/32/54/553353254.db2.gz IYNIYFUQMTUOMN-RCXJIHSJSA-N 1 2 510.681 3.887 50 0 KHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)[N@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000012166778 553353252 /nfs/dbraw/zinc/35/32/52/553353252.db2.gz IYNIYFUQMTUOMN-RCXJIHSJSA-N 1 2 510.681 3.887 50 0 KHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)[N@@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000012166784 553353229 /nfs/dbraw/zinc/35/32/29/553353229.db2.gz IYNIYFUQMTUOMN-DFCKQENNSA-N 1 2 510.681 3.887 50 0 KHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)[N@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000012166784 553353228 /nfs/dbraw/zinc/35/32/28/553353228.db2.gz IYNIYFUQMTUOMN-DFCKQENNSA-N 1 2 510.681 3.887 50 0 KHAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000012190322 1066504942 /nfs/dbraw/zinc/50/49/42/1066504942.db2.gz KQRXMQHZFKMXQE-MHZLTWQESA-N 1 2 534.657 3.817 50 0 KHAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000012190322 1066504933 /nfs/dbraw/zinc/50/49/33/1066504933.db2.gz KQRXMQHZFKMXQE-MHZLTWQESA-N 1 2 534.657 3.817 50 0 KHAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000012190323 1066504788 /nfs/dbraw/zinc/50/47/88/1066504788.db2.gz KQRXMQHZFKMXQE-HHHXNRCGSA-N 1 2 534.657 3.817 50 0 KHAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000012190323 1066504781 /nfs/dbraw/zinc/50/47/81/1066504781.db2.gz KQRXMQHZFKMXQE-HHHXNRCGSA-N 1 2 534.657 3.817 50 0 KHAALO CN(Cc1[nH+]ccn1C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccc(Cl)c2)C3=O)CC1 ZINC000012241418 553354514 /nfs/dbraw/zinc/35/45/14/553354514.db2.gz OTYXZQAXFCWKAB-UHFFFAOYSA-N 1 2 506.006 3.745 50 0 KHAALO O=C1CS[C@@]2(c3ccccc3N(C[NH+]3CCC4(CC3)OCCO4)C2=O)N1c1cccc(C(F)(F)F)c1 ZINC000012377321 553361721 /nfs/dbraw/zinc/36/17/21/553361721.db2.gz NKHBSBZXXVDJQZ-XMMPIXPASA-N 1 2 519.545 3.781 50 0 KHAALO O=C1CS[C@]2(c3ccccc3N(C[NH+]3CCC4(CC3)OCCO4)C2=O)N1c1cccc(C(F)(F)F)c1 ZINC000012377322 553361697 /nfs/dbraw/zinc/36/16/97/553361697.db2.gz NKHBSBZXXVDJQZ-DEOSSOPVSA-N 1 2 519.545 3.781 50 0 KHAALO Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C[NH+]2CCC4(CC2)OCCO4)C3=O)cc1Cl ZINC000012462301 553367315 /nfs/dbraw/zinc/36/73/15/553367315.db2.gz FFBIWQRJPXKFAF-RUZDIDTESA-N 1 2 500.020 3.724 50 0 KHAALO Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C[NH+]2CCC4(CC2)OCCO4)C3=O)cc1Cl ZINC000012462302 553367308 /nfs/dbraw/zinc/36/73/08/553367308.db2.gz FFBIWQRJPXKFAF-VWLOTQADSA-N 1 2 500.020 3.724 50 0 KHAALO CCOc1cc2[nH]c(=S)n(Cc3ccc(C(=O)NCCC[NH+](CC)CC)cc3)c(=O)c2cc1OCC ZINC000012474025 553369785 /nfs/dbraw/zinc/36/97/85/553369785.db2.gz AHKUZMGSLDTPFX-UHFFFAOYSA-N 1 2 512.676 3.993 50 0 KHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4)c3)CC2)c1 ZINC000012521378 553382816 /nfs/dbraw/zinc/38/28/16/553382816.db2.gz COYPWIYGWOLNED-UHFFFAOYSA-N 1 2 509.628 3.771 50 0 KHAALO CCCn1c2nc(-c3ccc(-c4cccc(Cl)c4Cl)o3)n(CC[NH+]3CCOCC3)c2c(=O)[nH]c1=O ZINC000012531725 553386361 /nfs/dbraw/zinc/38/63/61/553386361.db2.gz QEJSYUMSGNXATO-UHFFFAOYSA-N 1 2 518.401 3.862 50 0 KHAALO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000012568274 553397709 /nfs/dbraw/zinc/39/77/09/553397709.db2.gz BCVWLAYSDSIVNI-CUYJMHBOSA-N 1 2 514.642 3.924 50 0 KHAALO O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000012568275 553397707 /nfs/dbraw/zinc/39/77/07/553397707.db2.gz BCVWLAYSDSIVNI-OYRHQHFDSA-N 1 2 514.642 3.924 50 0 KHAALO O=S(=O)(c1cccc(-c2nn(C[NH+]3CCC(Cc4ccccc4)CC3)c(=S)o2)c1)N1CCOCC1 ZINC000012619226 553403405 /nfs/dbraw/zinc/40/34/05/553403405.db2.gz WFGBAYHTKFRLNM-UHFFFAOYSA-N 1 2 514.673 3.806 50 0 KHAALO COc1ccc(C(=O)c2sc(NCCC[NH+]3CCOCC3)c(C(=O)NCCc3ccccc3)c2N)cc1 ZINC000012623038 553404098 /nfs/dbraw/zinc/40/40/98/553404098.db2.gz SDVXYDYUSKKFCP-UHFFFAOYSA-N 1 2 522.671 3.677 50 0 KHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1OC ZINC000012700349 553413338 /nfs/dbraw/zinc/41/33/38/553413338.db2.gz SSKLTNIUSMCIGQ-UHFFFAOYSA-N 1 2 526.055 3.611 50 0 KHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1OC ZINC000012700349 553413337 /nfs/dbraw/zinc/41/33/37/553413337.db2.gz SSKLTNIUSMCIGQ-UHFFFAOYSA-N 1 2 526.055 3.611 50 0 KHAALO Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000012794437 553421029 /nfs/dbraw/zinc/42/10/29/553421029.db2.gz QSWFKFADGDEOBI-UHFFFAOYSA-N 1 2 501.377 3.884 50 0 KHAALO O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCC[NH+]1CCN(C(=O)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012955954 553429564 /nfs/dbraw/zinc/42/95/64/553429564.db2.gz UAEQHFHSWJTNTC-UHFFFAOYSA-N 1 2 572.337 3.867 50 0 KHAALO CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CC[NH+](Cc5cc(OC)ccc5OC)CC4)cc3C2=O)cc1 ZINC000013026697 553436169 /nfs/dbraw/zinc/43/61/69/553436169.db2.gz PWLQORIPQBZEQB-UHFFFAOYSA-N 1 2 529.593 3.861 50 0 KHAALO CCCn1c2nc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)n(CC[NH+]3CCOCC3)c2c(=O)[nH]c1=O ZINC000013063765 553443672 /nfs/dbraw/zinc/44/36/72/553443672.db2.gz VGDNNFLEXKUZDD-UHFFFAOYSA-N 1 2 518.401 3.862 50 0 KHAALO CN1c2ccccc2C(=O)[C@H](C(c2ccc(-n3cc[nH+]c3)cc2)[C@H]2C(=O)c3ccccc3N(C)C2=O)C1=O ZINC000013113283 553448545 /nfs/dbraw/zinc/44/85/45/553448545.db2.gz CCZINXZSLHCHIN-UIOOFZCWSA-N 1 2 504.546 3.907 50 0 KHAALO CN1c2ccccc2C(=O)[C@@H](C(c2ccc(-n3cc[nH+]c3)cc2)[C@@H]2C(=O)c3ccccc3N(C)C2=O)C1=O ZINC000013113286 553448589 /nfs/dbraw/zinc/44/85/89/553448589.db2.gz CCZINXZSLHCHIN-CLJLJLNGSA-N 1 2 504.546 3.907 50 0 KHAALO CN1C(=O)N(CC(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)C12CCCCC2 ZINC000013128690 553450057 /nfs/dbraw/zinc/45/00/57/553450057.db2.gz DFGCDQMXVRMUAM-UHFFFAOYSA-N 1 2 510.585 3.795 50 0 KHAALO CCC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)CC(=O)Nc1ccccc1C ZINC000013134241 553452131 /nfs/dbraw/zinc/45/21/31/553452131.db2.gz WCJYHZTXIRIVEX-UHFFFAOYSA-N 1 2 500.665 3.849 50 0 KHAALO CCC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)CC(=O)Nc1ccccc1C ZINC000013134241 553452130 /nfs/dbraw/zinc/45/21/30/553452130.db2.gz WCJYHZTXIRIVEX-UHFFFAOYSA-N 1 2 500.665 3.849 50 0 KHAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000013397046 553459008 /nfs/dbraw/zinc/45/90/08/553459008.db2.gz KDZNBNNSMQHVIF-TVQWTUMOSA-N 1 2 504.970 3.953 50 0 KHAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000013397053 553458975 /nfs/dbraw/zinc/45/89/75/553458975.db2.gz KDZNBNNSMQHVIF-PVIBPIFHSA-N 1 2 504.970 3.953 50 0 KHAALO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000013397057 553459012 /nfs/dbraw/zinc/45/90/12/553459012.db2.gz KDZNBNNSMQHVIF-GOIZPCHYSA-N 1 2 504.970 3.953 50 0 KHAALO O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CC[NH+]2CCOCC2)c1)N1CCCCC1 ZINC000013769694 553489225 /nfs/dbraw/zinc/48/92/25/553489225.db2.gz DSQZNSJAEPGYOK-RQZHXJHFSA-N 1 2 512.701 3.956 50 0 KHAALO O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+]2CCOCC2)c1)N1CCCC1 ZINC000013777061 553490021 /nfs/dbraw/zinc/49/00/21/553490021.db2.gz LNANJFQDGVSTBC-RQZHXJHFSA-N 1 2 512.701 3.956 50 0 KHAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000014128543 553501223 /nfs/dbraw/zinc/50/12/23/553501223.db2.gz XZGURZRTKIQPSG-JOCHJYFZSA-N 1 2 516.583 3.788 50 0 KHAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000014128544 553501185 /nfs/dbraw/zinc/50/11/85/553501185.db2.gz XZGURZRTKIQPSG-QFIPXVFZSA-N 1 2 516.583 3.788 50 0 KHAALO Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000014129665 553501524 /nfs/dbraw/zinc/50/15/24/553501524.db2.gz RBPNZQXRLFKKKO-UHFFFAOYSA-N 1 2 521.639 3.605 50 0 KHAALO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 ZINC000014356841 553512189 /nfs/dbraw/zinc/51/21/89/553512189.db2.gz FNXSCWXVDMROMZ-UHFFFAOYSA-N 1 2 500.646 3.873 50 0 KHAALO CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000014360252 553513855 /nfs/dbraw/zinc/51/38/55/553513855.db2.gz WKZAAGJUGDLKOX-UHFFFAOYSA-N 1 2 520.493 3.828 50 0 KHAALO O=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014361501 553514677 /nfs/dbraw/zinc/51/46/77/553514677.db2.gz AMFAEBZFTGNPGH-XBXARRHUSA-N 1 2 500.020 3.883 50 0 KHAALO O=C(NCCn1cc[nH+]c1)c1cc(NCc2cccc(-c3ccco3)c2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014538644 1066855863 /nfs/dbraw/zinc/85/58/63/1066855863.db2.gz WMJHHUFFCRFOCA-UHFFFAOYSA-N 1 2 519.627 3.970 50 0 KHAALO O=C(NCCn1cc[nH+]c1)c1cc(NCc2ccc(-c3ccco3)cc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014746460 553520063 /nfs/dbraw/zinc/52/00/63/553520063.db2.gz CJWRXJWNUGVDAL-UHFFFAOYSA-N 1 2 519.627 3.970 50 0 KHAALO O=C(NCCn1cc[nH+]c1)c1cc(NCc2ccccc2-c2ccco2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014747034 1066855792 /nfs/dbraw/zinc/85/57/92/1066855792.db2.gz OKDUGJYZKLMPJG-UHFFFAOYSA-N 1 2 519.627 3.970 50 0 KHAALO COc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(CCc3cccc(F)c3)C4=O)CC2)cc2c1OCO2 ZINC000014881548 553521099 /nfs/dbraw/zinc/52/10/99/553521099.db2.gz ZSVSZOQXGGHDNQ-UHFFFAOYSA-N 1 2 517.557 3.724 50 0 KHAALO COc1cc(CN(Cc2ccncc2)C(=O)Cc2ccc(F)cc2)cc(OC)c1OCC[NH+]1CCOCC1 ZINC000014881604 553521087 /nfs/dbraw/zinc/52/10/87/553521087.db2.gz JXIJEIWBBLNPJW-UHFFFAOYSA-N 1 2 523.605 3.720 50 0 KHAALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(NC(=O)Nc4cccc5ccccc54)CC3)C2=O)cc1 ZINC000014943950 553521737 /nfs/dbraw/zinc/52/17/37/553521737.db2.gz RXIFSMHKXKGDQX-VWLOTQADSA-N 1 2 514.582 3.935 50 0 KHAALO CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCC[NH+]5CCOCC5)cc4)c3)ncc2nc1-c1nonc1N ZINC000014954335 553522433 /nfs/dbraw/zinc/52/24/33/553522433.db2.gz YOVNFNXUCOWYSG-UHFFFAOYSA-N 1 2 570.610 3.839 50 0 in-vitro KHAALO COCCN(Cc1cc2ccc(OC)cc2[nH+]c1N1CCN(C(C)=O)CC1)C(=O)CCc1ccc(C)cc1 ZINC000014965306 553522739 /nfs/dbraw/zinc/52/27/39/553522739.db2.gz CHRGIAPROZQGBF-UHFFFAOYSA-N 1 2 518.658 3.828 50 0 KHAALO COc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(CCc3ccccc3F)C4=O)CC2)cc2c1OCO2 ZINC000014981881 553523257 /nfs/dbraw/zinc/52/32/57/553523257.db2.gz FQSOAVQOSYPJIY-UHFFFAOYSA-N 1 2 517.557 3.724 50 0 KHAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@@H]3CCCN(C(=O)c4cn5ccccc5n4)C3)cc2)CC1 ZINC000014992768 553524184 /nfs/dbraw/zinc/52/41/84/553524184.db2.gz VTSBZJVTOLDQIC-HSZRJFAPSA-N 1 2 505.619 3.540 50 0 KHAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@H]3CCCN(C(=O)c4cn5ccccc5n4)C3)cc2)CC1 ZINC000014992770 553524200 /nfs/dbraw/zinc/52/42/00/553524200.db2.gz VTSBZJVTOLDQIC-QHCPKHFHSA-N 1 2 505.619 3.540 50 0 KHAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@@H+](Cc3cccs3)C2)nn1 ZINC000015000312 553524975 /nfs/dbraw/zinc/52/49/75/553524975.db2.gz VZQFRJZQLABPLP-URXFXBBRSA-N 1 2 501.612 3.848 50 0 KHAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@H+](Cc3cccs3)C2)nn1 ZINC000015000312 553524974 /nfs/dbraw/zinc/52/49/74/553524974.db2.gz VZQFRJZQLABPLP-URXFXBBRSA-N 1 2 501.612 3.848 50 0 KHAALO COc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3F)C4=O)CC2)cc(OC)c1O ZINC000015007200 553525179 /nfs/dbraw/zinc/52/51/79/553525179.db2.gz NPFOQGXMIPHMQK-UHFFFAOYSA-N 1 2 505.546 3.667 50 0 KHAALO COCc1c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000015069926 553527430 /nfs/dbraw/zinc/52/74/30/553527430.db2.gz IYTJBJSTYOFAJC-UHFFFAOYSA-N 1 2 503.643 3.879 50 0 KHAALO CCCOc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C[NH+]2CCC4(CC2)OCCO4)C3=O)cc1 ZINC000015082422 553527583 /nfs/dbraw/zinc/52/75/83/553527583.db2.gz LAEDTMVAXXMEAU-MHZLTWQESA-N 1 2 509.628 3.551 50 0 KHAALO CCCOc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C[NH+]2CCC4(CC2)OCCO4)C3=O)cc1 ZINC000015082424 553527641 /nfs/dbraw/zinc/52/76/41/553527641.db2.gz LAEDTMVAXXMEAU-HHHXNRCGSA-N 1 2 509.628 3.551 50 0 KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCCC4=CCCCC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015414832 553532799 /nfs/dbraw/zinc/53/27/99/553532799.db2.gz NPQVVGIVWNIPKE-XMMPIXPASA-N 1 2 516.602 3.597 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCCC4=CCCCC4)cc1)[N@H+](C)CC3)OCO2 ZINC000015414832 553532796 /nfs/dbraw/zinc/53/27/96/553532796.db2.gz NPQVVGIVWNIPKE-XMMPIXPASA-N 1 2 516.602 3.597 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCCC4=CCCCC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015414835 553532877 /nfs/dbraw/zinc/53/28/77/553532877.db2.gz NPQVVGIVWNIPKE-DEOSSOPVSA-N 1 2 516.602 3.597 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCCC4=CCCCC4)cc1)[N@H+](C)CC3)OCO2 ZINC000015414835 553532874 /nfs/dbraw/zinc/53/28/74/553532874.db2.gz NPQVVGIVWNIPKE-DEOSSOPVSA-N 1 2 516.602 3.597 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)Nc4cc(C)cc(C)c4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015414870 553532742 /nfs/dbraw/zinc/53/27/42/553532742.db2.gz JHAHTZGULNUYQG-XMMPIXPASA-N 1 2 512.570 3.846 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)Nc4cc(C)cc(C)c4)cc1)[N@H+](C)CC3)OCO2 ZINC000015414870 553532740 /nfs/dbraw/zinc/53/27/40/553532740.db2.gz JHAHTZGULNUYQG-XMMPIXPASA-N 1 2 512.570 3.846 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)Nc4cc(C)cc(C)c4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015414873 553532917 /nfs/dbraw/zinc/53/29/17/553532917.db2.gz JHAHTZGULNUYQG-DEOSSOPVSA-N 1 2 512.570 3.846 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)Nc4cc(C)cc(C)c4)cc1)[N@H+](C)CC3)OCO2 ZINC000015414873 553532916 /nfs/dbraw/zinc/53/29/16/553532916.db2.gz JHAHTZGULNUYQG-DEOSSOPVSA-N 1 2 512.570 3.846 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)Nc4c(C)cccc4C)c1)[N@@H+](C)CC3)OCO2 ZINC000015415496 553533319 /nfs/dbraw/zinc/53/33/19/553533319.db2.gz KRJQINHHUYZNGC-XMMPIXPASA-N 1 2 512.570 3.846 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)Nc4c(C)cccc4C)c1)[N@H+](C)CC3)OCO2 ZINC000015415496 553533318 /nfs/dbraw/zinc/53/33/18/553533318.db2.gz KRJQINHHUYZNGC-XMMPIXPASA-N 1 2 512.570 3.846 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)Nc4c(C)cccc4C)c1)[N@@H+](C)CC3)OCO2 ZINC000015415499 553533341 /nfs/dbraw/zinc/53/33/41/553533341.db2.gz KRJQINHHUYZNGC-DEOSSOPVSA-N 1 2 512.570 3.846 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)Nc4c(C)cccc4C)c1)[N@H+](C)CC3)OCO2 ZINC000015415499 553533340 /nfs/dbraw/zinc/53/33/40/553533340.db2.gz KRJQINHHUYZNGC-DEOSSOPVSA-N 1 2 512.570 3.846 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(NC(=O)c4ccccc4Cl)c1)[N@@H+](C)CC3)OCO2 ZINC000015415536 553533290 /nfs/dbraw/zinc/53/32/90/553533290.db2.gz VUVALJDBSKAYMD-JOCHJYFZSA-N 1 2 518.961 3.883 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(NC(=O)c4ccccc4Cl)c1)[N@H+](C)CC3)OCO2 ZINC000015415536 553533288 /nfs/dbraw/zinc/53/32/88/553533288.db2.gz VUVALJDBSKAYMD-JOCHJYFZSA-N 1 2 518.961 3.883 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(NC(=O)c4ccccc4Cl)c1)[N@@H+](C)CC3)OCO2 ZINC000015415539 553533333 /nfs/dbraw/zinc/53/33/33/553533333.db2.gz VUVALJDBSKAYMD-QFIPXVFZSA-N 1 2 518.961 3.883 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(NC(=O)c4ccccc4Cl)c1)[N@H+](C)CC3)OCO2 ZINC000015415539 553533332 /nfs/dbraw/zinc/53/33/32/553533332.db2.gz VUVALJDBSKAYMD-QFIPXVFZSA-N 1 2 518.961 3.883 50 0 biogenic KHAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000015623603 553533707 /nfs/dbraw/zinc/53/37/07/553533707.db2.gz OAOMMDSPEDNQGF-OAQYLSRUSA-N 1 2 504.547 3.918 50 0 KHAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000015623606 553533678 /nfs/dbraw/zinc/53/36/78/553533678.db2.gz OAOMMDSPEDNQGF-NRFANRHFSA-N 1 2 504.547 3.918 50 0 KHAALO CCOC(=O)c1ccccc1NC(=O)COc1cc(C[NH+]2CCN(c3ccccc3)CC2)ncc1OC ZINC000015825273 553536781 /nfs/dbraw/zinc/53/67/81/553536781.db2.gz ISSNNDKBKXBDEA-UHFFFAOYSA-N 1 2 504.587 3.607 50 0 KHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000015880251 553539870 /nfs/dbraw/zinc/53/98/70/553539870.db2.gz OCZJZUSSOIWPKE-UHFFFAOYSA-N 1 2 502.687 3.802 50 0 KHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000015880251 553539868 /nfs/dbraw/zinc/53/98/68/553539868.db2.gz OCZJZUSSOIWPKE-UHFFFAOYSA-N 1 2 502.687 3.802 50 0 KHAALO O=S(=O)(CCN1CCCCC1)c1ccc(Oc2ccc(S(=O)(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000016134026 553555360 /nfs/dbraw/zinc/55/53/60/553555360.db2.gz DNJPSFXOXRYKPR-UHFFFAOYSA-N 1 2 520.717 3.998 50 0 KHAALO Cc1cccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)c1C ZINC000016349957 553560989 /nfs/dbraw/zinc/56/09/89/553560989.db2.gz LTUCWJPUTDPQIL-UHFFFAOYSA-N 1 2 521.639 3.572 50 0 KHAALO CCOC(=O)c1sc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C(=O)OCC)c1C ZINC000016361118 553560954 /nfs/dbraw/zinc/56/09/54/553560954.db2.gz UIVINHALXGSXOB-UHFFFAOYSA-N 1 2 519.645 3.653 50 0 KHAALO O=C(C1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016495169 553566794 /nfs/dbraw/zinc/56/67/94/553566794.db2.gz KUBABJCCCJMZSW-UHFFFAOYSA-N 1 2 523.634 3.558 50 0 KHAALO CCCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(CCOC)C1=O ZINC000016571042 553567969 /nfs/dbraw/zinc/56/79/69/553567969.db2.gz LHTPYZPFGLUZPU-UHFFFAOYSA-O 1 2 516.405 3.817 50 0 KHAALO COCCN1C(=O)C(c2c(=O)n(-c3ccc(Cl)c(Cl)c3)[nH]c2C(C)C)=C([n+]2cccc(C)c2)C1=O ZINC000016571043 553568000 /nfs/dbraw/zinc/56/80/00/553568000.db2.gz NKAZCFPIVMBOCV-UHFFFAOYSA-O 1 2 516.405 3.988 50 0 KHAALO CCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000016571052 553567983 /nfs/dbraw/zinc/56/79/83/553567983.db2.gz RFRNBBWJXDJKLZ-UHFFFAOYSA-O 1 2 501.513 3.952 50 0 KHAALO CCCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C[C@@H]2CCCO2)C1=O ZINC000016571054 553567937 /nfs/dbraw/zinc/56/79/37/553567937.db2.gz BROQZNQUJNYFOT-FQEVSTJZSA-O 1 2 507.998 3.696 50 0 KHAALO CCCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C[C@H]2CCCO2)C1=O ZINC000016571055 553567933 /nfs/dbraw/zinc/56/79/33/553567933.db2.gz BROQZNQUJNYFOT-HXUWFJFHSA-O 1 2 507.998 3.696 50 0 KHAALO COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(C[NH+]2CCN(c3ccccc3)CC2)cc1=O ZINC000016974710 553585824 /nfs/dbraw/zinc/58/58/24/553585824.db2.gz RGSYRGYTCGDVIZ-UHFFFAOYSA-N 1 2 500.521 3.837 50 0 KHAALO COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(C[NH+]2CCN(c3ccccc3)CC2)cc1=O ZINC000016974734 553585749 /nfs/dbraw/zinc/58/57/49/553585749.db2.gz YMDHJXHREFYPGN-UHFFFAOYSA-N 1 2 500.521 3.837 50 0 KHAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)[nH+]1 ZINC000017013709 553586582 /nfs/dbraw/zinc/58/65/82/553586582.db2.gz UCLNISFQFWXQSN-UHFFFAOYSA-N 1 2 504.410 3.929 50 0 KHAALO CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(Nc3nc(N4CCOCC4)cc(C)[nH+]3)cc2)c1 ZINC000017307270 553593096 /nfs/dbraw/zinc/59/30/96/553593096.db2.gz BXUUHFKXJWYBLO-UHFFFAOYSA-N 1 2 513.620 3.963 50 0 KHAALO COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017434225 553596191 /nfs/dbraw/zinc/59/61/91/553596191.db2.gz FUAIPSADBNBEBZ-PWUYWRBVSA-N 1 2 560.651 3.949 50 0 KHAALO COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017434228 553596160 /nfs/dbraw/zinc/59/61/60/553596160.db2.gz FUAIPSADBNBEBZ-OUTSHDOLSA-N 1 2 560.651 3.949 50 0 KHAALO COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017434231 553596207 /nfs/dbraw/zinc/59/62/07/553596207.db2.gz FUAIPSADBNBEBZ-FUFSCUOVSA-N 1 2 560.651 3.949 50 0 KHAALO COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017434235 553596166 /nfs/dbraw/zinc/59/61/66/553596166.db2.gz FUAIPSADBNBEBZ-GIGWZHCTSA-N 1 2 560.651 3.949 50 0 KHAALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(Nc4ccc(OC(F)(F)F)cc4)CC3)C2=O)cc1 ZINC000018217998 553610765 /nfs/dbraw/zinc/61/07/65/553610765.db2.gz JWHAPBXSKACYTL-NRFANRHFSA-N 1 2 505.493 3.970 50 0 KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019372479 553614555 /nfs/dbraw/zinc/61/45/55/553614555.db2.gz BRDURFADODFAFQ-HNNXBMFYSA-N 1 2 543.418 3.591 50 0 KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019372481 553614644 /nfs/dbraw/zinc/61/46/44/553614644.db2.gz BRDURFADODFAFQ-OAHLLOKOSA-N 1 2 543.418 3.591 50 0 KHAALO O=C([C@@H]1COc2ccccc2O1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000019594957 1066209565 /nfs/dbraw/zinc/20/95/65/1066209565.db2.gz KXKPXWBYPPTUGY-PMERELPUSA-N 1 2 528.653 3.609 50 0 KHAALO O=C([C@H]1COc2ccccc2O1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000019594959 1066209527 /nfs/dbraw/zinc/20/95/27/1066209527.db2.gz KXKPXWBYPPTUGY-SSEXGKCCSA-N 1 2 528.653 3.609 50 0 KHAALO O=S(=O)(c1ccc(F)cc1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000019741133 1066291423 /nfs/dbraw/zinc/29/14/23/1066291423.db2.gz MPNUWIPCTHBHAZ-UHFFFAOYSA-N 1 2 524.662 3.771 50 0 KHAALO O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000019741283 1066291099 /nfs/dbraw/zinc/29/10/99/1066291099.db2.gz KWKSLSRLWTXVTH-UHFFFAOYSA-N 1 2 514.626 3.812 50 0 KHAALO O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1ccccn1 ZINC000019770925 553616430 /nfs/dbraw/zinc/61/64/30/553616430.db2.gz DTMCVOVJLUXOEG-UHFFFAOYSA-N 1 2 520.026 3.976 50 0 KHAALO COCc1ccc(C(=O)N2CCC(Oc3cccc(CN4CC[NH+](Cc5cccnc5)CC4)c3)CC2)o1 ZINC000019799306 553617125 /nfs/dbraw/zinc/61/71/25/553617125.db2.gz DTGQGZDWLVJFMD-UHFFFAOYSA-N 1 2 504.631 3.822 50 0 KHAALO Cc1nonc1CN(C)C(=O)COc1ccc(-c2cc(C)nc3ccccc32)cc1C[NH+]1CCOCC1 ZINC000019799772 553617174 /nfs/dbraw/zinc/61/71/74/553617174.db2.gz JIUSGGVQAQYIIN-UHFFFAOYSA-N 1 2 501.587 3.771 50 0 KHAALO O=C(NCC[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000019831460 553622747 /nfs/dbraw/zinc/62/27/47/553622747.db2.gz IUEQTASRIBWNTE-UHFFFAOYSA-N 1 2 514.251 3.628 50 0 KHAALO O=C(c1ccc(Br)cc1)[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)n1ccccc1=O ZINC000019831869 553623074 /nfs/dbraw/zinc/62/30/74/553623074.db2.gz FVBQHWUIFLZVSZ-QLUGYHCRSA-N 1 2 520.427 3.892 50 0 KHAALO O=C(c1ccc(Br)cc1)[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)n1ccccc1=O ZINC000019831870 553622936 /nfs/dbraw/zinc/62/29/36/553622936.db2.gz FVBQHWUIFLZVSZ-UPXASZCJSA-N 1 2 520.427 3.892 50 0 KHAALO COc1ccc(C(=O)N(Cc2cccc(OCC[NH+]3CCOCC3)c2)Cc2ccccn2)c(OC)c1OC ZINC000019839692 1066858161 /nfs/dbraw/zinc/85/81/61/1066858161.db2.gz YDLVFAZGBNCULA-UHFFFAOYSA-N 1 2 521.614 3.661 50 0 KHAALO O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019861131 553628892 /nfs/dbraw/zinc/62/88/92/553628892.db2.gz PFIJMHZTQMRZFH-CZDPRXMLSA-N 1 2 502.080 3.739 50 0 KHAALO O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019861132 553628903 /nfs/dbraw/zinc/62/89/03/553628903.db2.gz PFIJMHZTQMRZFH-LHLOKTHNSA-N 1 2 502.080 3.739 50 0 KHAALO O=S(=O)(c1cccc(F)c1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000019866531 1066291481 /nfs/dbraw/zinc/29/14/81/1066291481.db2.gz SNBDPSSHSICAQS-UHFFFAOYSA-N 1 2 524.662 3.771 50 0 KHAALO COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(OC)cc3)n2)cc1 ZINC000019881402 553629514 /nfs/dbraw/zinc/62/95/14/553629514.db2.gz LCCPXZMUHYUJDK-HSZRJFAPSA-N 1 2 511.648 3.551 50 0 KHAALO COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(OC)cc3)n2)cc1 ZINC000019881407 553629481 /nfs/dbraw/zinc/62/94/81/553629481.db2.gz LCCPXZMUHYUJDK-QHCPKHFHSA-N 1 2 511.648 3.551 50 0 KHAALO Cc1cccc(Cn2c3cc(=O)n(CC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1 ZINC000019899367 553632549 /nfs/dbraw/zinc/63/25/49/553632549.db2.gz IDSHLDKPYSOMRD-UHFFFAOYSA-N 1 2 515.639 3.561 50 0 KHAALO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000019921028 553633376 /nfs/dbraw/zinc/63/33/76/553633376.db2.gz MVXZWUIEUSJAIH-UHFFFAOYSA-N 1 2 507.612 3.507 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1Br ZINC000020024076 553663097 /nfs/dbraw/zinc/66/30/97/553663097.db2.gz UZBSOMYRULHALR-HKOYGPOVSA-N 1 2 508.416 3.822 50 0 KHAALO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000020029488 553664105 /nfs/dbraw/zinc/66/41/05/553664105.db2.gz LNJVYOAYKJAJME-UHFFFAOYSA-N 1 2 512.393 3.966 50 0 KHAALO CC1(C)CC(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)c(=O)n(-c3ccc(Cl)c(Cl)c3)c2C1 ZINC000020036380 553667687 /nfs/dbraw/zinc/66/76/87/553667687.db2.gz IZTQBQYRIMDRDR-UHFFFAOYSA-N 1 2 506.430 3.752 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccccc1 ZINC000020081796 553680691 /nfs/dbraw/zinc/68/06/91/553680691.db2.gz PSANOHGXRHBUDB-QQTULTPQSA-N 1 2 527.650 3.820 50 0 KHAALO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000020102940 553687680 /nfs/dbraw/zinc/68/76/80/553687680.db2.gz BSGDWXRINLXVLM-GOSISDBHSA-N 1 2 501.450 3.710 50 0 KHAALO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000020102940 553687678 /nfs/dbraw/zinc/68/76/78/553687678.db2.gz BSGDWXRINLXVLM-GOSISDBHSA-N 1 2 501.450 3.710 50 0 KHAALO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000020102943 553687620 /nfs/dbraw/zinc/68/76/20/553687620.db2.gz BSGDWXRINLXVLM-SFHVURJKSA-N 1 2 501.450 3.710 50 0 KHAALO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000020102943 553687619 /nfs/dbraw/zinc/68/76/19/553687619.db2.gz BSGDWXRINLXVLM-SFHVURJKSA-N 1 2 501.450 3.710 50 0 KHAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccn3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108867 553691719 /nfs/dbraw/zinc/69/17/19/553691719.db2.gz FYWGFGVWKKSDQE-RRPNLBNLSA-N 1 2 500.599 3.732 50 0 KHAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccccn3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108869 553691762 /nfs/dbraw/zinc/69/17/62/553691762.db2.gz FYWGFGVWKKSDQE-SVBPBHIXSA-N 1 2 500.599 3.732 50 0 KHAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccccn3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108871 553691797 /nfs/dbraw/zinc/69/17/97/553691797.db2.gz FYWGFGVWKKSDQE-KAYWLYCHSA-N 1 2 500.599 3.732 50 0 KHAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccccn3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108873 553691784 /nfs/dbraw/zinc/69/17/84/553691784.db2.gz FYWGFGVWKKSDQE-SXOMAYOGSA-N 1 2 500.599 3.732 50 0 KHAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108883 553691779 /nfs/dbraw/zinc/69/17/79/553691779.db2.gz ZIZXZHUIEQCNNR-IZZNHLLZSA-N 1 2 504.587 3.633 50 0 KHAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108885 553691691 /nfs/dbraw/zinc/69/16/91/553691691.db2.gz ZIZXZHUIEQCNNR-UIOOFZCWSA-N 1 2 504.587 3.633 50 0 KHAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108887 553691772 /nfs/dbraw/zinc/69/17/72/553691772.db2.gz ZIZXZHUIEQCNNR-CLJLJLNGSA-N 1 2 504.587 3.633 50 0 KHAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000020108889 553691707 /nfs/dbraw/zinc/69/17/07/553691707.db2.gz ZIZXZHUIEQCNNR-FTJBHMTQSA-N 1 2 504.587 3.633 50 0 KHAALO COc1ccc([C@@H]2[C@@H](C(=O)NCC[NH+]3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109089 553691958 /nfs/dbraw/zinc/69/19/58/553691958.db2.gz FLORLANZWYPFSG-WUFINQPMSA-N 1 2 517.601 3.764 50 0 KHAALO COc1ccc([C@H]2[C@@H](C(=O)NCC[NH+]3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109091 553691993 /nfs/dbraw/zinc/69/19/93/553691993.db2.gz FLORLANZWYPFSG-NSOVKSMOSA-N 1 2 517.601 3.764 50 0 KHAALO COc1ccc([C@@H]2[C@H](C(=O)NCC[NH+]3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109093 553691965 /nfs/dbraw/zinc/69/19/65/553691965.db2.gz FLORLANZWYPFSG-VSGBNLITSA-N 1 2 517.601 3.764 50 0 KHAALO COc1ccc([C@H]2[C@H](C(=O)NCC[NH+]3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109095 553692049 /nfs/dbraw/zinc/69/20/49/553692049.db2.gz FLORLANZWYPFSG-IZLXSDGUSA-N 1 2 517.601 3.764 50 0 KHAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@@]2(Cc3cccs3)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000020112599 553694571 /nfs/dbraw/zinc/69/45/71/553694571.db2.gz IXSOGNQHHMUEMT-RYTUXRKISA-N 1 2 502.596 3.681 50 0 biogenic KHAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3cccs3)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000020112599 553694570 /nfs/dbraw/zinc/69/45/70/553694570.db2.gz IXSOGNQHHMUEMT-RYTUXRKISA-N 1 2 502.596 3.681 50 0 biogenic KHAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@]2(Cc3cccs3)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000020112601 553694563 /nfs/dbraw/zinc/69/45/63/553694563.db2.gz IXSOGNQHHMUEMT-VXLXPWSCSA-N 1 2 502.596 3.681 50 0 biogenic KHAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3cccs3)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000020112601 553694562 /nfs/dbraw/zinc/69/45/62/553694562.db2.gz IXSOGNQHHMUEMT-VXLXPWSCSA-N 1 2 502.596 3.681 50 0 biogenic KHAALO CCc1ccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000020123524 553590981 /nfs/dbraw/zinc/59/09/81/553590981.db2.gz MFTHMZMGEASRQY-UHFFFAOYSA-N 1 2 521.639 3.517 50 0 KHAALO CC(C)Cn1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2c3ccccc3n(C)c2c1=O ZINC000020138786 553594260 /nfs/dbraw/zinc/59/42/60/553594260.db2.gz ZPZDDMLDDDSWAW-UHFFFAOYSA-N 1 2 500.599 3.836 50 0 KHAALO COc1ccc(C(=O)NC[C@@H](C)Oc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)c(OC)c1 ZINC000020168515 553601363 /nfs/dbraw/zinc/60/13/63/553601363.db2.gz PCYDSOIUAIZFEY-JOCHJYFZSA-N 1 2 504.631 3.614 50 0 KHAALO COc1ccc(C(=O)NC[C@H](C)Oc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)c(OC)c1 ZINC000020168518 553601357 /nfs/dbraw/zinc/60/13/57/553601357.db2.gz PCYDSOIUAIZFEY-QFIPXVFZSA-N 1 2 504.631 3.614 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccccc1 ZINC000020174526 553602117 /nfs/dbraw/zinc/60/21/17/553602117.db2.gz CTDROTPSDPZYTM-SLMZUGIISA-N 1 2 521.621 3.759 50 0 KHAALO COc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1OC1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000020204637 561758738 /nfs/dbraw/zinc/75/87/38/561758738.db2.gz RZXALONUEFVMEM-UHFFFAOYSA-N 1 2 502.615 3.591 50 0 KHAALO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020220615 553616092 /nfs/dbraw/zinc/61/60/92/553616092.db2.gz NNIJMVJFXWSTJS-UHFFFAOYSA-N 1 2 511.575 3.826 50 0 KHAALO Cc1ccc(C)n1CC[NH+]1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1 ZINC000020223899 553616406 /nfs/dbraw/zinc/61/64/06/553616406.db2.gz VMFIMLDJZFKNNE-UHFFFAOYSA-N 1 2 511.305 3.698 50 0 KHAALO CC1(C)C[C@@H](C(=O)N2CCC(Oc3cccc(CN4CC[NH+](Cc5cccnc5)CC4)c3)CC2)CCO1 ZINC000020256320 1066226428 /nfs/dbraw/zinc/22/64/28/1066226428.db2.gz XKJVRGSRZVISOS-SANMLTNESA-N 1 2 506.691 3.974 50 0 KHAALO CC1(C)C[C@H](C(=O)N2CCC(Oc3cccc(CN4CC[NH+](Cc5cccnc5)CC4)c3)CC2)CCO1 ZINC000020256324 1066226368 /nfs/dbraw/zinc/22/63/68/1066226368.db2.gz XKJVRGSRZVISOS-AREMUKBSSA-N 1 2 506.691 3.974 50 0 KHAALO COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020288775 553633764 /nfs/dbraw/zinc/63/37/64/553633764.db2.gz PMYKRPMYTAJDLI-UQBPGWFLSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020288777 553633601 /nfs/dbraw/zinc/63/36/01/553633601.db2.gz PMYKRPMYTAJDLI-KBMIEXCESA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020288780 553633645 /nfs/dbraw/zinc/63/36/45/553633645.db2.gz PMYKRPMYTAJDLI-DFBJGRDBSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020288783 553633680 /nfs/dbraw/zinc/63/36/80/553633680.db2.gz PMYKRPMYTAJDLI-CLOONOSVSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020288824 553633621 /nfs/dbraw/zinc/63/36/21/553633621.db2.gz UXXQXMJMIMUWCC-RXFWQSSRSA-N 1 2 524.662 3.623 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020288827 553633742 /nfs/dbraw/zinc/63/37/42/553633742.db2.gz UXXQXMJMIMUWCC-FQRUVTKNSA-N 1 2 524.662 3.623 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020288830 553633777 /nfs/dbraw/zinc/63/37/77/553633777.db2.gz UXXQXMJMIMUWCC-FNZWTVRRSA-N 1 2 524.662 3.623 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020288833 553633630 /nfs/dbraw/zinc/63/36/30/553633630.db2.gz UXXQXMJMIMUWCC-IBVKSMDESA-N 1 2 524.662 3.623 50 0 KHAALO COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288847 553633748 /nfs/dbraw/zinc/63/37/48/553633748.db2.gz PWIBHFIZCUXBIM-UQBPGWFLSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288850 553633636 /nfs/dbraw/zinc/63/36/36/553633636.db2.gz PWIBHFIZCUXBIM-KBMIEXCESA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288853 553633759 /nfs/dbraw/zinc/63/37/59/553633759.db2.gz PWIBHFIZCUXBIM-DFBJGRDBSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288856 553633734 /nfs/dbraw/zinc/63/37/34/553633734.db2.gz PWIBHFIZCUXBIM-CLOONOSVSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289034 553634000 /nfs/dbraw/zinc/63/40/00/553634000.db2.gz ZGPGFRIIBZPZAZ-UQBPGWFLSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289037 553634017 /nfs/dbraw/zinc/63/40/17/553634017.db2.gz ZGPGFRIIBZPZAZ-KBMIEXCESA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289040 553634043 /nfs/dbraw/zinc/63/40/43/553634043.db2.gz ZGPGFRIIBZPZAZ-DFBJGRDBSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289043 553633945 /nfs/dbraw/zinc/63/39/45/553633945.db2.gz ZGPGFRIIBZPZAZ-CLOONOSVSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289090 553634351 /nfs/dbraw/zinc/63/43/51/553634351.db2.gz LMVQWPZZPWVLAI-RXFWQSSRSA-N 1 2 524.662 3.623 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289095 553634194 /nfs/dbraw/zinc/63/41/94/553634194.db2.gz LMVQWPZZPWVLAI-FQRUVTKNSA-N 1 2 524.662 3.623 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289098 553634232 /nfs/dbraw/zinc/63/42/32/553634232.db2.gz LMVQWPZZPWVLAI-FNZWTVRRSA-N 1 2 524.662 3.623 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289101 553634324 /nfs/dbraw/zinc/63/43/24/553634324.db2.gz LMVQWPZZPWVLAI-IBVKSMDESA-N 1 2 524.662 3.623 50 0 KHAALO COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289117 553634315 /nfs/dbraw/zinc/63/43/15/553634315.db2.gz AQVOLMMRADKDIA-UQBPGWFLSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289121 553634293 /nfs/dbraw/zinc/63/42/93/553634293.db2.gz AQVOLMMRADKDIA-KBMIEXCESA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289124 553634240 /nfs/dbraw/zinc/63/42/40/553634240.db2.gz AQVOLMMRADKDIA-DFBJGRDBSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289127 553634226 /nfs/dbraw/zinc/63/42/26/553634226.db2.gz AQVOLMMRADKDIA-CLOONOSVSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020289639 553634673 /nfs/dbraw/zinc/63/46/73/553634673.db2.gz FCQOQMVUANJSSA-CLOONOSVSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020289641 553634720 /nfs/dbraw/zinc/63/47/20/553634720.db2.gz FCQOQMVUANJSSA-KBMIEXCESA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020289644 553634585 /nfs/dbraw/zinc/63/45/85/553634585.db2.gz FCQOQMVUANJSSA-DFBJGRDBSA-N 1 2 510.635 3.580 50 0 KHAALO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020289647 553634768 /nfs/dbraw/zinc/63/47/68/553634768.db2.gz FCQOQMVUANJSSA-UQBPGWFLSA-N 1 2 510.635 3.580 50 0 KHAALO COc1cc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC2CCCCCC2)ccc1OCc1ccccc1 ZINC000020293889 553635724 /nfs/dbraw/zinc/63/57/24/553635724.db2.gz LALTWVNVGQPEAJ-RPBOFIJWSA-N 1 2 504.635 3.915 50 0 KHAALO COc1cc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC2CCCCCC2)ccc1OCc1ccccc1 ZINC000020293889 553635720 /nfs/dbraw/zinc/63/57/20/553635720.db2.gz LALTWVNVGQPEAJ-RPBOFIJWSA-N 1 2 504.635 3.915 50 0 KHAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc(F)c2)N1CCC[NH+]1CCOCC1 ZINC000020308276 553636071 /nfs/dbraw/zinc/63/60/71/553636071.db2.gz RTIKTKWCEDITCE-NRFANRHFSA-N 1 2 501.352 3.962 50 0 KHAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCC[NH+]1CCOCC1 ZINC000020308278 553636126 /nfs/dbraw/zinc/63/61/26/553636126.db2.gz RTIKTKWCEDITCE-OAQYLSRUSA-N 1 2 501.352 3.962 50 0 KHAALO CCN(CC)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020358388 553642832 /nfs/dbraw/zinc/64/28/32/553642832.db2.gz UMLIFHSRLIYEJR-UHFFFAOYSA-N 1 2 517.080 3.697 50 0 KHAALO CCN(CC)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020358388 553642831 /nfs/dbraw/zinc/64/28/31/553642831.db2.gz UMLIFHSRLIYEJR-UHFFFAOYSA-N 1 2 517.080 3.697 50 0 KHAALO Cc1cc2c(cc(C(=O)N3CCC(C(=O)NCC[NH+]4CCOCC4)CC3)n2Cc2c(F)cccc2Cl)o1 ZINC000020388068 553644391 /nfs/dbraw/zinc/64/43/91/553644391.db2.gz MCVPZMKQRWRZAQ-UHFFFAOYSA-N 1 2 531.028 3.684 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1 ZINC000020388977 553644667 /nfs/dbraw/zinc/64/46/67/553644667.db2.gz HCUCQMAZXQGNGY-UHFFFAOYSA-N 1 2 505.619 3.973 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000020389268 553644709 /nfs/dbraw/zinc/64/47/09/553644709.db2.gz QCURWNQNWPMGCR-UHFFFAOYSA-N 1 2 505.619 3.973 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000020389455 553644695 /nfs/dbraw/zinc/64/46/95/553644695.db2.gz BGUFPQOSTUUGLT-UHFFFAOYSA-N 1 2 505.619 3.973 50 0 KHAALO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1Cl ZINC000020412743 553647190 /nfs/dbraw/zinc/64/71/90/553647190.db2.gz PFHAEVVTSITXSJ-UHFFFAOYSA-N 1 2 517.454 3.577 50 0 KHAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1N(C)S(=O)(=O)c1ccccc1 ZINC000020418549 553647704 /nfs/dbraw/zinc/64/77/04/553647704.db2.gz QMFSLORYUMLPKO-UHFFFAOYSA-N 1 2 513.685 3.635 50 0 KHAALO C[N@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)Nc4ccccc4)n23)C1 ZINC000020439190 553649123 /nfs/dbraw/zinc/64/91/23/553649123.db2.gz JAZKSVTUPYEQSY-UHFFFAOYSA-N 1 2 502.625 3.814 50 0 KHAALO C[N@@H+]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)Nc4ccccc4)n23)C1 ZINC000020439190 553649117 /nfs/dbraw/zinc/64/91/17/553649117.db2.gz JAZKSVTUPYEQSY-UHFFFAOYSA-N 1 2 502.625 3.814 50 0 KHAALO COc1cc(C(=O)N(Cc2cccc(OCC[NH+]3CCOCC3)c2)Cc2ccccn2)cc(OC)c1OC ZINC000020449210 1066858370 /nfs/dbraw/zinc/85/83/70/1066858370.db2.gz QOOCHUCEJLFAOF-UHFFFAOYSA-N 1 2 521.614 3.661 50 0 KHAALO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2C)cc1 ZINC000020481931 553658051 /nfs/dbraw/zinc/65/80/51/553658051.db2.gz SVDROTLGFZLTFC-UHFFFAOYSA-N 1 2 507.612 3.791 50 0 KHAALO O=C(NCCC[NH+]1CCN(C(=O)c2ccccc2Br)CC1)c1ccccc1Br ZINC000020494711 553667000 /nfs/dbraw/zinc/66/70/00/553667000.db2.gz SVNHNUFUUSMOGH-UHFFFAOYSA-N 1 2 509.242 3.790 50 0 KHAALO COc1ccc(CCNc2nc3nnnn3c3sc4c(c32)CC[N@H+](Cc2ccccc2)C4)cc1OC ZINC000020533310 553670660 /nfs/dbraw/zinc/67/06/60/553670660.db2.gz SYDIROUTXKJNDO-UHFFFAOYSA-N 1 2 501.616 3.964 50 0 KHAALO COc1ccc(CCNc2nc3nnnn3c3sc4c(c32)CC[N@@H+](Cc2ccccc2)C4)cc1OC ZINC000020533310 553670657 /nfs/dbraw/zinc/67/06/57/553670657.db2.gz SYDIROUTXKJNDO-UHFFFAOYSA-N 1 2 501.616 3.964 50 0 KHAALO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCOCC3)cnn2-c2ccccc2Cl)CC1 ZINC000020575568 553675627 /nfs/dbraw/zinc/67/56/27/553675627.db2.gz FVEGVTCREZWQQM-UHFFFAOYSA-N 1 2 518.058 3.702 50 0 KHAALO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCOCC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000020575572 553675608 /nfs/dbraw/zinc/67/56/08/553675608.db2.gz KNJBALSEFKWEHL-UHFFFAOYSA-N 1 2 518.058 3.702 50 0 KHAALO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCOCC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000020575575 553675567 /nfs/dbraw/zinc/67/55/67/553675567.db2.gz SRSUUIWOGPUOQO-UHFFFAOYSA-N 1 2 518.058 3.702 50 0 KHAALO Cc1cccc(C)c1-n1ncc(C(=O)NCC[NH+]2CCOCC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000020576139 553676130 /nfs/dbraw/zinc/67/61/30/553676130.db2.gz AQQAQKCROIYHJT-UHFFFAOYSA-N 1 2 511.667 3.666 50 0 KHAALO O=CN1CC[NH+](Cc2ccc(OCC[C@@H]3CCCCN3C(=O)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000020601151 553677234 /nfs/dbraw/zinc/67/72/34/553677234.db2.gz DJTKBWIUHYAAJG-SANMLTNESA-N 1 2 501.631 3.610 50 0 KHAALO O=CN1CC[NH+](Cc2ccc(OCC[C@H]3CCCCN3C(=O)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000020601152 553677187 /nfs/dbraw/zinc/67/71/87/553677187.db2.gz DJTKBWIUHYAAJG-AREMUKBSSA-N 1 2 501.631 3.610 50 0 KHAALO O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1)NCc1ccccc1 ZINC000020640950 553681823 /nfs/dbraw/zinc/68/18/23/553681823.db2.gz QIJXTYJCRCPBKA-UHFFFAOYSA-N 1 2 508.669 3.742 50 0 KHAALO O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1)NCCc1ccccc1 ZINC000020640952 553681797 /nfs/dbraw/zinc/68/17/97/553681797.db2.gz RVAHMTILETWHAX-UHFFFAOYSA-N 1 2 522.696 3.785 50 0 KHAALO O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1)NC1CCCCC1 ZINC000020640971 553681742 /nfs/dbraw/zinc/68/17/42/553681742.db2.gz WRFQKVPBRFVKFS-UHFFFAOYSA-N 1 2 500.690 3.875 50 0 KHAALO CC1CCN(C(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCOCC2)CC1 ZINC000020640980 553681854 /nfs/dbraw/zinc/68/18/54/553681854.db2.gz CNECKIZZBQBERG-UHFFFAOYSA-N 1 2 500.690 3.684 50 0 KHAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc1)c2=O ZINC000020644073 553683731 /nfs/dbraw/zinc/68/37/31/553683731.db2.gz SJLFAGKWROWFML-UHFFFAOYSA-N 1 2 520.655 3.611 50 0 KHAALO O=C(c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020644127 553684053 /nfs/dbraw/zinc/68/40/53/553684053.db2.gz YKSSQPZDNMHORD-UHFFFAOYSA-N 1 2 506.628 3.553 50 0 KHAALO O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000020644222 553684065 /nfs/dbraw/zinc/68/40/65/553684065.db2.gz AZYJPSPPADXKDY-UHFFFAOYSA-N 1 2 516.465 3.752 50 0 KHAALO O=C(C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020644506 553684643 /nfs/dbraw/zinc/68/46/43/553684643.db2.gz OBWIBAGDLKXXAA-UHFFFAOYSA-N 1 2 520.655 3.939 50 0 KHAALO O=C(c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020645620 553684987 /nfs/dbraw/zinc/68/49/87/553684987.db2.gz YIURDOMDEALQGB-UHFFFAOYSA-N 1 2 506.628 3.553 50 0 KHAALO O=C(c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020645624 553684978 /nfs/dbraw/zinc/68/49/78/553684978.db2.gz XRGBPDXJONPGNK-UHFFFAOYSA-N 1 2 514.607 3.794 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21)c1cccc(C)c1 ZINC000020683442 553688556 /nfs/dbraw/zinc/68/85/56/553688556.db2.gz SGEZZWJKCKXKTI-OAQYLSRUSA-N 1 2 524.687 3.904 50 0 KHAALO CC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21)c1cccc(C)c1 ZINC000020683442 553688554 /nfs/dbraw/zinc/68/85/54/553688554.db2.gz SGEZZWJKCKXKTI-OAQYLSRUSA-N 1 2 524.687 3.904 50 0 KHAALO O=C(CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000020732951 553693011 /nfs/dbraw/zinc/69/30/11/553693011.db2.gz NHLKSCGDRZDDRC-HAVVHWLPSA-N 1 2 519.399 3.959 50 0 KHAALO CCC[NH+]1CCN(C(=O)c2sc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3c2C)CC1 ZINC000020757437 553695169 /nfs/dbraw/zinc/69/51/69/553695169.db2.gz JMMYFYYEVPIRRG-UHFFFAOYSA-N 1 2 521.565 3.592 50 0 KHAALO O=C(CC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000020766353 553697205 /nfs/dbraw/zinc/69/72/05/553697205.db2.gz UASDTLCZNNODNP-UHFFFAOYSA-N 1 2 520.371 3.803 50 0 KHAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)cc2)CC1 ZINC000020774970 553698116 /nfs/dbraw/zinc/69/81/16/553698116.db2.gz NINXJGWXOQMZRY-JOCHJYFZSA-N 1 2 509.603 3.621 50 0 KHAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)cc2)CC1 ZINC000020774973 553698050 /nfs/dbraw/zinc/69/80/50/553698050.db2.gz NINXJGWXOQMZRY-QFIPXVFZSA-N 1 2 509.603 3.621 50 0 KHAALO O=C(c1cccc(N2CCCC2=O)c1)N(Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1ccccn1 ZINC000020917457 1066858231 /nfs/dbraw/zinc/85/82/31/1066858231.db2.gz GRZZTMFEHHWLQF-UHFFFAOYSA-N 1 2 514.626 3.762 50 0 KHAALO Cc1noc(C)c1CC(=O)N1CCC[C@@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000020919473 553704229 /nfs/dbraw/zinc/70/42/29/553704229.db2.gz TWXLJQAOKVJXAV-HHHXNRCGSA-N 1 2 517.674 3.864 50 0 KHAALO Cc1noc(C)c1CC(=O)N1CCC[C@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000020919481 553704240 /nfs/dbraw/zinc/70/42/40/553704240.db2.gz TWXLJQAOKVJXAV-MHZLTWQESA-N 1 2 517.674 3.864 50 0 KHAALO O=C(C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020991876 553705288 /nfs/dbraw/zinc/70/52/88/553705288.db2.gz KYVVRCHBKNXDBR-UHFFFAOYSA-N 1 2 513.465 3.928 50 0 KHAALO COCc1c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000020997628 553705342 /nfs/dbraw/zinc/70/53/42/553705342.db2.gz ZMXBGQAHFYSAOX-UHFFFAOYSA-N 1 2 502.055 3.574 50 0 KHAALO Cc1ccc(Cn2c3cc(=O)n(CC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1 ZINC000021035098 553705938 /nfs/dbraw/zinc/70/59/38/553705938.db2.gz YZNYJXVXPJCYCY-UHFFFAOYSA-N 1 2 515.639 3.561 50 0 KHAALO O=C(c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021146761 553707704 /nfs/dbraw/zinc/70/77/04/553707704.db2.gz XBYUBJILBHFIAI-UHFFFAOYSA-N 1 2 503.505 3.956 50 0 KHAALO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000021348338 553709430 /nfs/dbraw/zinc/70/94/30/553709430.db2.gz KKJFVUSKHNXLCS-WUFINQPMSA-N 1 2 513.594 3.679 50 0 KHAALO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000021348345 553709415 /nfs/dbraw/zinc/70/94/15/553709415.db2.gz KKJFVUSKHNXLCS-NSOVKSMOSA-N 1 2 513.594 3.679 50 0 KHAALO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000021348351 553709464 /nfs/dbraw/zinc/70/94/64/553709464.db2.gz KKJFVUSKHNXLCS-VSGBNLITSA-N 1 2 513.594 3.679 50 0 KHAALO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000021348357 553709460 /nfs/dbraw/zinc/70/94/60/553709460.db2.gz KKJFVUSKHNXLCS-IZLXSDGUSA-N 1 2 513.594 3.679 50 0 KHAALO COc1cc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(F)cc2)CC3)cc(OC)c1OC ZINC000021526171 553710487 /nfs/dbraw/zinc/71/04/87/553710487.db2.gz IACFONYRNDOCKC-UHFFFAOYSA-N 1 2 514.579 3.636 50 0 KHAALO COc1cc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(F)cc2)CC3)cc(OC)c1OC ZINC000021526171 553710485 /nfs/dbraw/zinc/71/04/85/553710485.db2.gz IACFONYRNDOCKC-UHFFFAOYSA-N 1 2 514.579 3.636 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000021716185 553716204 /nfs/dbraw/zinc/71/62/04/553716204.db2.gz ZOZMFTJSDIAZIG-UHFFFAOYSA-N 1 2 527.668 3.986 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000021716185 553716202 /nfs/dbraw/zinc/71/62/02/553716202.db2.gz ZOZMFTJSDIAZIG-UHFFFAOYSA-N 1 2 527.668 3.986 50 0 KHAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021795796 553716808 /nfs/dbraw/zinc/71/68/08/553716808.db2.gz ARLGQNPTYSDKOQ-UHFFFAOYSA-N 1 2 504.410 3.929 50 0 KHAALO COC(=O)CCCCCCC(=O)N1CCC[N@@H+](Cc2cc(=O)c(OCc3cccc(F)c3)co2)CC1 ZINC000022328293 553737709 /nfs/dbraw/zinc/73/77/09/553737709.db2.gz IBTYJWBWUUMJIE-UHFFFAOYSA-N 1 2 502.583 3.906 50 0 KHAALO COC(=O)CCCCCCC(=O)N1CCC[N@H+](Cc2cc(=O)c(OCc3cccc(F)c3)co2)CC1 ZINC000022328293 553737705 /nfs/dbraw/zinc/73/77/05/553737705.db2.gz IBTYJWBWUUMJIE-UHFFFAOYSA-N 1 2 502.583 3.906 50 0 KHAALO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCOCC2)Sc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000022608762 553747823 /nfs/dbraw/zinc/74/78/23/553747823.db2.gz XSIFTPNPOCKPOT-OAQYLSRUSA-N 1 2 502.040 3.806 50 0 KHAALO COc1ccc([C@H](CC(=O)NCC[NH+]2CCOCC2)Sc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000022608766 553747895 /nfs/dbraw/zinc/74/78/95/553747895.db2.gz XSIFTPNPOCKPOT-NRFANRHFSA-N 1 2 502.040 3.806 50 0 KHAALO COc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c(C[NH+]2CCN(c3ccccc3)CC2)cc1=O ZINC000022698667 553749979 /nfs/dbraw/zinc/74/99/79/553749979.db2.gz OMWFXCZEJXSBHD-UHFFFAOYSA-N 1 2 500.521 3.837 50 0 KHAALO COc1cc([C@H](C2Sc3nc(C)nn3C2=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000022784336 553749807 /nfs/dbraw/zinc/74/98/07/553749807.db2.gz CGNSCSYRFGKBJW-JOCHJYFZSA-N 1 2 509.632 3.738 50 0 KHAALO COc1cc([C@@H](C2Sc3nc(C)nn3C2=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000022784342 553749897 /nfs/dbraw/zinc/74/98/97/553749897.db2.gz CGNSCSYRFGKBJW-QFIPXVFZSA-N 1 2 509.632 3.738 50 0 KHAALO O=C(NCCCN1CC[NH+](CCCNC(=O)c2ccc(Br)cc2)CC1)c1ccc(Br)cc1 ZINC000022790898 553750804 /nfs/dbraw/zinc/75/08/04/553750804.db2.gz MRMGCHQBZAXAHH-UHFFFAOYSA-N 1 2 566.338 3.769 50 0 KHAALO Cc1c(Cl)cccc1-n1ncc(C(=O)NCCN2CC[NH+](C)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000022795265 553750664 /nfs/dbraw/zinc/75/06/64/553750664.db2.gz NFQDJKXHYUSHQV-UHFFFAOYSA-N 1 2 545.128 3.926 50 0 KHAALO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(OC)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000022795272 553750638 /nfs/dbraw/zinc/75/06/38/553750638.db2.gz VTLYUAULNRKJRZ-UHFFFAOYSA-N 1 2 554.736 3.753 50 0 KHAALO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(OC)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000022795272 553750633 /nfs/dbraw/zinc/75/06/33/553750633.db2.gz VTLYUAULNRKJRZ-UHFFFAOYSA-N 1 2 554.736 3.753 50 0 KHAALO O=C(Cc1ccc2c(c1)OCO2)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000022853506 1066199689 /nfs/dbraw/zinc/19/96/89/1066199689.db2.gz CWJMMBAMVSGZNS-UHFFFAOYSA-N 1 2 528.653 3.741 50 0 KHAALO COc1cc(OC)cc(C(=O)NC[C@@H](C)Oc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)c1 ZINC000022853560 553761939 /nfs/dbraw/zinc/76/19/39/553761939.db2.gz BMMPSGOZTLBQGO-JOCHJYFZSA-N 1 2 504.631 3.614 50 0 KHAALO COc1cc(OC)cc(C(=O)NC[C@H](C)Oc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)c1 ZINC000022853563 553761846 /nfs/dbraw/zinc/76/18/46/553761846.db2.gz BMMPSGOZTLBQGO-QFIPXVFZSA-N 1 2 504.631 3.614 50 0 KHAALO COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN4CC[NH+](Cc5cccnc5)CC4)c3)CC2)cc1 ZINC000022911854 1066200312 /nfs/dbraw/zinc/20/03/12/1066200312.db2.gz YWAVWYIEVIVIFG-UHFFFAOYSA-N 1 2 536.698 3.640 50 0 KHAALO O=C([C@@H]1Cc2ccccc2O1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000022917852 1066200398 /nfs/dbraw/zinc/20/03/98/1066200398.db2.gz XJNPLPCFUMVAAZ-PMERELPUSA-N 1 2 512.654 3.773 50 0 KHAALO O=C([C@H]1Cc2ccccc2O1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000022917860 1066200449 /nfs/dbraw/zinc/20/04/49/1066200449.db2.gz XJNPLPCFUMVAAZ-SSEXGKCCSA-N 1 2 512.654 3.773 50 0 KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022918545 553766819 /nfs/dbraw/zinc/76/68/19/553766819.db2.gz NMWTWQUCBUBADN-VMPITWQZSA-N 1 2 511.420 3.987 50 0 KHAALO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)C[C@@H](C)CC2 ZINC000022920992 553767107 /nfs/dbraw/zinc/76/71/07/553767107.db2.gz FDNJXZBLQQCJPX-ZWKOTPCHSA-N 1 2 513.660 3.923 50 0 KHAALO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)C[C@@H](C)CC2 ZINC000022920996 553767076 /nfs/dbraw/zinc/76/70/76/553767076.db2.gz FDNJXZBLQQCJPX-ROUUACIJSA-N 1 2 513.660 3.923 50 0 KHAALO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)C[C@H](C)CC2 ZINC000022921000 553767098 /nfs/dbraw/zinc/76/70/98/553767098.db2.gz FDNJXZBLQQCJPX-QZTJIDSGSA-N 1 2 513.660 3.923 50 0 KHAALO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)C[C@H](C)CC2 ZINC000022921006 553767067 /nfs/dbraw/zinc/76/70/67/553767067.db2.gz FDNJXZBLQQCJPX-MSOLQXFVSA-N 1 2 513.660 3.923 50 0 KHAALO O=C(N1CCN(CC[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000022942359 553768427 /nfs/dbraw/zinc/76/84/27/553768427.db2.gz TYLFDKLDHFBTQY-UHFFFAOYSA-N 1 2 522.778 3.708 50 0 KHAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)c2)CC1 ZINC000023077403 553769419 /nfs/dbraw/zinc/76/94/19/553769419.db2.gz YPXXMQOJWFGHBF-UHFFFAOYSA-N 1 2 510.582 3.884 50 0 KHAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 ZINC000023128778 553770734 /nfs/dbraw/zinc/77/07/34/553770734.db2.gz JECSPINDJJOPIC-OAQYLSRUSA-N 1 2 507.678 3.502 50 0 KHAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 ZINC000023128779 553770630 /nfs/dbraw/zinc/77/06/30/553770630.db2.gz JECSPINDJJOPIC-NRFANRHFSA-N 1 2 507.678 3.502 50 0 KHAALO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000023153785 553770759 /nfs/dbraw/zinc/77/07/59/553770759.db2.gz PWQXUSBPDKSZLC-UHFFFAOYSA-N 1 2 526.684 3.688 50 0 KHAALO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000023153785 553770757 /nfs/dbraw/zinc/77/07/57/553770757.db2.gz PWQXUSBPDKSZLC-UHFFFAOYSA-N 1 2 526.684 3.688 50 0 KHAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153904 553770973 /nfs/dbraw/zinc/77/09/73/553770973.db2.gz AVRVYFHCSAQSKN-UHFFFAOYSA-N 1 2 513.641 3.596 50 0 KHAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153904 553770969 /nfs/dbraw/zinc/77/09/69/553770969.db2.gz AVRVYFHCSAQSKN-UHFFFAOYSA-N 1 2 513.641 3.596 50 0 KHAALO CCOC(=O)CCCC(=O)N1CC[NH+](C[C@@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1 ZINC000023305866 553772342 /nfs/dbraw/zinc/77/23/42/553772342.db2.gz BPBFKQXLDVDZIT-AREMUKBSSA-N 1 2 526.630 3.617 50 0 KHAALO CCOC(=O)CCCC(=O)N1CC[NH+](C[C@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1 ZINC000023305868 553772303 /nfs/dbraw/zinc/77/23/03/553772303.db2.gz BPBFKQXLDVDZIT-SANMLTNESA-N 1 2 526.630 3.617 50 0 KHAALO CC(C)Cc1nc(-c2cccc(C[NH+]3CCN(C(=O)[C@H]4CC(=O)N(Cc5ccccc5)C4)CC3)c2)no1 ZINC000023336748 553774462 /nfs/dbraw/zinc/77/44/62/553774462.db2.gz WFKGZEYDSPMUMV-VWLOTQADSA-N 1 2 501.631 3.628 50 0 KHAALO CC(C)Cc1nc(-c2cccc(C[NH+]3CCN(C(=O)[C@@H]4CC(=O)N(Cc5ccccc5)C4)CC3)c2)no1 ZINC000023336749 553774507 /nfs/dbraw/zinc/77/45/07/553774507.db2.gz WFKGZEYDSPMUMV-RUZDIDTESA-N 1 2 501.631 3.628 50 0 KHAALO CN1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000023339221 553774386 /nfs/dbraw/zinc/77/43/86/553774386.db2.gz RCMLFELKJOUEGH-RUZDIDTESA-N 1 2 505.590 3.575 50 0 KHAALO CN1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000023339223 553774438 /nfs/dbraw/zinc/77/44/38/553774438.db2.gz RCMLFELKJOUEGH-VWLOTQADSA-N 1 2 505.590 3.575 50 0 KHAALO Cc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN4CC[NH+](Cc5cccnc5)CC4)c3)CC2)cc1 ZINC000023362156 1066220118 /nfs/dbraw/zinc/22/01/18/1066220118.db2.gz RZEVHYBWMQTFSM-UHFFFAOYSA-N 1 2 520.699 3.940 50 0 KHAALO O=S(=O)(c1ccccc1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000023362640 1066221325 /nfs/dbraw/zinc/22/13/25/1066221325.db2.gz XJNTZZPWYIVDRP-UHFFFAOYSA-N 1 2 506.672 3.632 50 0 KHAALO COc1ccccc1CCC(=O)NC[C@@H](C)Oc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000023363066 553774790 /nfs/dbraw/zinc/77/47/90/553774790.db2.gz WQJNMXBIZXGMQY-XMMPIXPASA-N 1 2 502.659 3.924 50 0 KHAALO COc1ccccc1CCC(=O)NC[C@H](C)Oc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000023363069 553774730 /nfs/dbraw/zinc/77/47/30/553774730.db2.gz WQJNMXBIZXGMQY-DEOSSOPVSA-N 1 2 502.659 3.924 50 0 KHAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)COc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023433936 553776124 /nfs/dbraw/zinc/77/61/24/553776124.db2.gz CEVWYUPMHGDACW-NDEPHWFRSA-N 1 2 518.610 3.963 50 0 KHAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)COc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023433939 553776231 /nfs/dbraw/zinc/77/62/31/553776231.db2.gz CEVWYUPMHGDACW-MUUNZHRXSA-N 1 2 518.610 3.963 50 0 KHAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cc(C)nn3C)CC2)c2ccc(Cl)cc2)cc1 ZINC000023434354 553776547 /nfs/dbraw/zinc/77/65/47/553776547.db2.gz KAELVFFFJCUWRD-VWLOTQADSA-N 1 2 511.022 3.884 50 0 KHAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cc(C)nn3C)CC2)c2ccc(Cl)cc2)cc1 ZINC000023434358 553776511 /nfs/dbraw/zinc/77/65/11/553776511.db2.gz KAELVFFFJCUWRD-RUZDIDTESA-N 1 2 511.022 3.884 50 0 KHAALO COCCOCC(=O)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000023437991 553777442 /nfs/dbraw/zinc/77/74/42/553777442.db2.gz CBMNTEIBPBXRPZ-UHFFFAOYSA-N 1 2 504.509 3.730 50 0 KHAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3c(C)noc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023438554 553777761 /nfs/dbraw/zinc/77/77/61/553777761.db2.gz ZELAHBXUYZHSPX-VWLOTQADSA-N 1 2 507.587 3.803 50 0 KHAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3c(C)noc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023438557 553777632 /nfs/dbraw/zinc/77/76/32/553777632.db2.gz ZELAHBXUYZHSPX-RUZDIDTESA-N 1 2 507.587 3.803 50 0 KHAALO CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1 ZINC000023438785 553777638 /nfs/dbraw/zinc/77/76/38/553777638.db2.gz ZJWSPKLTAMEAIP-SANMLTNESA-N 1 2 519.621 3.925 50 0 KHAALO CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1 ZINC000023438788 553777600 /nfs/dbraw/zinc/77/76/00/553777600.db2.gz ZJWSPKLTAMEAIP-AREMUKBSSA-N 1 2 519.621 3.925 50 0 KHAALO COCCOCC(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000023442132 553778784 /nfs/dbraw/zinc/77/87/84/553778784.db2.gz ZHKHYAQYTXTPPK-UHFFFAOYSA-N 1 2 504.509 3.730 50 0 KHAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023447639 553781077 /nfs/dbraw/zinc/78/10/77/553781077.db2.gz NORKBOKXZJBBOH-XMMPIXPASA-N 1 2 519.067 3.655 50 0 KHAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023447642 553781091 /nfs/dbraw/zinc/78/10/91/553781091.db2.gz NORKBOKXZJBBOH-DEOSSOPVSA-N 1 2 519.067 3.655 50 0 KHAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)OCc2ccc(C)cc2)c1 ZINC000023454110 553783238 /nfs/dbraw/zinc/78/32/38/553783238.db2.gz IXIXRTTVGAWAMO-XMMPIXPASA-N 1 2 533.094 3.963 50 0 KHAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)OCc2ccc(C)cc2)c1 ZINC000023454112 553783224 /nfs/dbraw/zinc/78/32/24/553783224.db2.gz IXIXRTTVGAWAMO-DEOSSOPVSA-N 1 2 533.094 3.963 50 0 KHAALO COCc1nc(-c2ccc(C[NH+]3CCN(C(=O)Cc4nc(-c5cccc(F)c5)oc4C)CC3)cc2)no1 ZINC000023462481 553786868 /nfs/dbraw/zinc/78/68/68/553786868.db2.gz WEESCNXDMHCDCU-UHFFFAOYSA-N 1 2 505.550 3.872 50 0 KHAALO O=C(c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023633472 553787207 /nfs/dbraw/zinc/78/72/07/553787207.db2.gz IISFYGQAXLDGLD-UHFFFAOYSA-N 1 2 500.580 3.735 50 0 KHAALO COc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000024192866 553789917 /nfs/dbraw/zinc/78/99/17/553789917.db2.gz WMCFQQWEVPMDBW-QFIPXVFZSA-N 1 2 513.388 3.832 50 0 KHAALO COc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000024192867 553790034 /nfs/dbraw/zinc/79/00/34/553790034.db2.gz WMCFQQWEVPMDBW-JOCHJYFZSA-N 1 2 513.388 3.832 50 0 KHAALO COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000024192868 553789975 /nfs/dbraw/zinc/78/99/75/553789975.db2.gz JMIJUFRPFAQIDO-QHCPKHFHSA-N 1 2 528.989 3.740 50 0 KHAALO COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000024192869 553790053 /nfs/dbraw/zinc/79/00/53/553790053.db2.gz JMIJUFRPFAQIDO-HSZRJFAPSA-N 1 2 528.989 3.740 50 0 KHAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1CCC[NH+]1CCOCC1 ZINC000024334499 553790552 /nfs/dbraw/zinc/79/05/52/553790552.db2.gz NHVDMSPEFYDPJY-NRFANRHFSA-N 1 2 501.352 3.962 50 0 KHAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCC[NH+]1CCOCC1 ZINC000024334506 553790577 /nfs/dbraw/zinc/79/05/77/553790577.db2.gz NHVDMSPEFYDPJY-OAQYLSRUSA-N 1 2 501.352 3.962 50 0 KHAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2F)N1CCC[NH+]1CCOCC1 ZINC000024334511 553790548 /nfs/dbraw/zinc/79/05/48/553790548.db2.gz DZKZBSVFVDDSLG-NRFANRHFSA-N 1 2 501.352 3.962 50 0 KHAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCC[NH+]1CCOCC1 ZINC000024334518 553790537 /nfs/dbraw/zinc/79/05/37/553790537.db2.gz DZKZBSVFVDDSLG-OAQYLSRUSA-N 1 2 501.352 3.962 50 0 KHAALO COCCN1CCS(=O)(=O)c2c(F)c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc(F)c21 ZINC000024615835 553791055 /nfs/dbraw/zinc/79/10/55/553791055.db2.gz MNGDJRCMYXAOCH-UHFFFAOYSA-N 1 2 528.625 3.512 50 0 KHAALO CN(c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(=O)(=O)c1cccs1 ZINC000025140087 553793170 /nfs/dbraw/zinc/79/31/70/553793170.db2.gz ZMRZUQROGBIKNR-WEVVVXLNSA-N 1 2 511.669 3.810 50 0 KHAALO CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(-c3noc(-c4ccco4)n3)cc2)CC1 ZINC000025142676 553793705 /nfs/dbraw/zinc/79/37/05/553793705.db2.gz RGFRUCBKBDPNOV-DEOSSOPVSA-N 1 2 517.561 3.527 50 0 KHAALO CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(-c3noc(-c4ccco4)n3)cc2)CC1 ZINC000025142678 553793668 /nfs/dbraw/zinc/79/36/68/553793668.db2.gz RGFRUCBKBDPNOV-XMMPIXPASA-N 1 2 517.561 3.527 50 0 KHAALO CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4ccco4)n3)c2)CC1 ZINC000025145007 553794806 /nfs/dbraw/zinc/79/48/06/553794806.db2.gz UESHZKYYOMOSMC-DEOSSOPVSA-N 1 2 517.561 3.527 50 0 KHAALO CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4ccco4)n3)c2)CC1 ZINC000025145010 553794676 /nfs/dbraw/zinc/79/46/76/553794676.db2.gz UESHZKYYOMOSMC-XMMPIXPASA-N 1 2 517.561 3.527 50 0 KHAALO CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(-c3noc(-c4ccccc4)n3)cc2)CC1 ZINC000025146735 553795374 /nfs/dbraw/zinc/79/53/74/553795374.db2.gz FGXXOLIUGONSMB-MHZLTWQESA-N 1 2 527.600 3.934 50 0 KHAALO CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(-c3noc(-c4ccccc4)n3)cc2)CC1 ZINC000025146738 553795414 /nfs/dbraw/zinc/79/54/14/553795414.db2.gz FGXXOLIUGONSMB-HHHXNRCGSA-N 1 2 527.600 3.934 50 0 KHAALO CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4ccccc4)n3)c2)CC1 ZINC000025148945 553795989 /nfs/dbraw/zinc/79/59/89/553795989.db2.gz PGTXFOXXVGGDQC-MHZLTWQESA-N 1 2 527.600 3.934 50 0 KHAALO CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4ccccc4)n3)c2)CC1 ZINC000025148948 553795956 /nfs/dbraw/zinc/79/59/56/553795956.db2.gz PGTXFOXXVGGDQC-HHHXNRCGSA-N 1 2 527.600 3.934 50 0 KHAALO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)Nc1ccc(Br)cc1 ZINC000025228489 553806079 /nfs/dbraw/zinc/80/60/79/553806079.db2.gz YHDWYOVLXZYLFT-UHFFFAOYSA-N 1 2 517.449 3.612 50 0 KHAALO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000025330385 553806418 /nfs/dbraw/zinc/80/64/18/553806418.db2.gz MVPZYEYAZZIZIZ-HXUWFJFHSA-N 1 2 519.623 3.513 50 0 KHAALO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000025330387 553806473 /nfs/dbraw/zinc/80/64/73/553806473.db2.gz MVPZYEYAZZIZIZ-FQEVSTJZSA-N 1 2 519.623 3.513 50 0 KHAALO O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)N1CCC[NH+]1CCOCC1 ZINC000025356196 553806726 /nfs/dbraw/zinc/80/67/26/553806726.db2.gz YJYKGXOZCVJEAT-MHZLTWQESA-N 1 2 506.628 3.607 50 0 KHAALO O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)N1CCC[NH+]1CCOCC1 ZINC000025356201 553806768 /nfs/dbraw/zinc/80/67/68/553806768.db2.gz YJYKGXOZCVJEAT-HHHXNRCGSA-N 1 2 506.628 3.607 50 0 KHAALO O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+]2CCOCC2)cc1)N1CCCC1 ZINC000027020354 553823962 /nfs/dbraw/zinc/82/39/62/553823962.db2.gz FSNNFFCYMNFKHX-RQZHXJHFSA-N 1 2 512.701 3.956 50 0 KHAALO O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CC[NH+]2CCOCC2)cc1)N1CCCCC1 ZINC000027020447 553824008 /nfs/dbraw/zinc/82/40/08/553824008.db2.gz CJBKQIUBFKPTHM-RQZHXJHFSA-N 1 2 512.701 3.956 50 0 KHAALO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cnc3occc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027081586 553825341 /nfs/dbraw/zinc/82/53/41/553825341.db2.gz UBUFVRJUGFJQSI-PPJSLLJVSA-N 1 2 653.824 3.613 50 0 KHAALO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cnc3occc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027081586 553825338 /nfs/dbraw/zinc/82/53/38/553825338.db2.gz UBUFVRJUGFJQSI-PPJSLLJVSA-N 1 2 653.824 3.613 50 0 KHAALO COc1ccccc1N1CCN(C(=O)c2cnc(N3CCN(c4cccc[nH+]4)CC3)c3ccccc23)CC1 ZINC000027534620 553832645 /nfs/dbraw/zinc/83/26/45/553832645.db2.gz OSKXATHXXDIVNM-UHFFFAOYSA-N 1 2 508.626 3.927 50 0 KHAALO COc1ccccc1N1CCN(c2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc32)CC1 ZINC000027534676 553832608 /nfs/dbraw/zinc/83/26/08/553832608.db2.gz VZABSBDOSLCGDK-UHFFFAOYSA-N 1 2 508.626 3.927 50 0 KHAALO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000029752478 553853422 /nfs/dbraw/zinc/85/34/22/553853422.db2.gz MCGPQPQJCUEKFL-KAYWLYCHSA-N 1 2 549.649 3.749 50 0 KHAALO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000029752480 553853415 /nfs/dbraw/zinc/85/34/15/553853415.db2.gz MCGPQPQJCUEKFL-RRPNLBNLSA-N 1 2 549.649 3.749 50 0 KHAALO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000029752482 553853453 /nfs/dbraw/zinc/85/34/53/553853453.db2.gz MCGPQPQJCUEKFL-SXOMAYOGSA-N 1 2 549.649 3.749 50 0 KHAALO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000029752484 553853434 /nfs/dbraw/zinc/85/34/34/553853434.db2.gz MCGPQPQJCUEKFL-SVBPBHIXSA-N 1 2 549.649 3.749 50 0 KHAALO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752722 553854755 /nfs/dbraw/zinc/85/47/55/553854755.db2.gz FHYSDODAMGPPER-LOYHVIPDSA-N 1 2 555.631 3.614 50 0 KHAALO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752724 553854683 /nfs/dbraw/zinc/85/46/83/553854683.db2.gz FHYSDODAMGPPER-XZWHSSHBSA-N 1 2 555.631 3.614 50 0 KHAALO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752726 553854781 /nfs/dbraw/zinc/85/47/81/553854781.db2.gz FHYSDODAMGPPER-IHLOFXLRSA-N 1 2 555.631 3.614 50 0 KHAALO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752727 553854835 /nfs/dbraw/zinc/85/48/35/553854835.db2.gz FHYSDODAMGPPER-KYJUHHDHSA-N 1 2 555.631 3.614 50 0 KHAALO CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccc(OC)cc3)n2CC[NH+]2CCOCC2)cc1 ZINC000032624438 553870529 /nfs/dbraw/zinc/87/05/29/553870529.db2.gz UMFJPHMMTUHMGK-RQZHXJHFSA-N 1 2 530.716 3.820 50 0 KHAALO CCN(CC)S(=O)(=O)c1ccc(NNC=C2c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)[nH+]c1 ZINC000032709447 553873496 /nfs/dbraw/zinc/87/34/96/553873496.db2.gz POCJQCRUQCWMPX-HAVVHWLPSA-N 1 2 505.600 3.565 50 0 KHAALO COc1cc(C)c(C[NH+]2CCN(C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)CC2)cc1OC ZINC000032736765 553874576 /nfs/dbraw/zinc/87/45/76/553874576.db2.gz VILPINZVAQOWBF-UHFFFAOYSA-N 1 2 523.655 3.795 50 0 KHAALO O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032962527 553882501 /nfs/dbraw/zinc/88/25/01/553882501.db2.gz MDWYLSBKDPWQDJ-UHFFFAOYSA-N 1 2 516.973 3.503 50 0 KHAALO CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000032967387 553882779 /nfs/dbraw/zinc/88/27/79/553882779.db2.gz FNSNNJKWPLPHKU-UHFFFAOYSA-N 1 2 528.074 3.998 50 0 KHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)CC2)c1 ZINC000033024170 553888839 /nfs/dbraw/zinc/88/88/39/553888839.db2.gz JAVCKHMNGGMCMT-UHFFFAOYSA-N 1 2 513.591 3.602 50 0 KHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)CC2)c1 ZINC000033024176 553888813 /nfs/dbraw/zinc/88/88/13/553888813.db2.gz JUIWZSQCJPGWTN-UHFFFAOYSA-N 1 2 513.591 3.602 50 0 KHAALO O=C(Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1)c1nnc(COc2ccccc2)s1 ZINC000033027970 553891104 /nfs/dbraw/zinc/89/11/04/553891104.db2.gz FWJQIBPBWJZYRO-UHFFFAOYSA-N 1 2 500.584 3.727 50 0 KHAALO Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)c1 ZINC000033028302 553891429 /nfs/dbraw/zinc/89/14/29/553891429.db2.gz LRTVWRROQVDGIG-UHFFFAOYSA-N 1 2 515.433 3.916 50 0 KHAALO CCCCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000033033411 553892712 /nfs/dbraw/zinc/89/27/12/553892712.db2.gz XRVWPYKHANETNM-UHFFFAOYSA-N 1 2 509.072 3.821 50 0 KHAALO CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2OC)CC3)cc1 ZINC000033331777 553921198 /nfs/dbraw/zinc/92/11/98/553921198.db2.gz IQCYDBNJLOERRG-UHFFFAOYSA-N 1 2 508.600 3.657 50 0 KHAALO CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)cc1 ZINC000033331777 553921195 /nfs/dbraw/zinc/92/11/95/553921195.db2.gz IQCYDBNJLOERRG-UHFFFAOYSA-N 1 2 508.600 3.657 50 0 KHAALO CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccc(OC)c2)CC3)cc1 ZINC000033331809 553921218 /nfs/dbraw/zinc/92/12/18/553921218.db2.gz QPKFLCSSYHJTMZ-UHFFFAOYSA-N 1 2 508.600 3.657 50 0 KHAALO CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccc(OC)c2)CC3)cc1 ZINC000033331809 553921215 /nfs/dbraw/zinc/92/12/15/553921215.db2.gz QPKFLCSSYHJTMZ-UHFFFAOYSA-N 1 2 508.600 3.657 50 0 KHAALO O=C([C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033356093 553938882 /nfs/dbraw/zinc/93/88/82/553938882.db2.gz ZSMAIWNQDUNMMW-HSZRJFAPSA-N 1 2 578.510 3.603 50 0 KHAALO O=C([C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033356094 553938913 /nfs/dbraw/zinc/93/89/13/553938913.db2.gz ZSMAIWNQDUNMMW-QHCPKHFHSA-N 1 2 578.510 3.603 50 0 KHAALO COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1OC ZINC000033356405 553940988 /nfs/dbraw/zinc/94/09/88/553940988.db2.gz LQQQNQKPRRCINY-LHEWISCISA-N 1 2 561.104 3.508 50 0 KHAALO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1OC ZINC000033356406 553941149 /nfs/dbraw/zinc/94/11/49/553941149.db2.gz LQQQNQKPRRCINY-KXQOOQHDSA-N 1 2 561.104 3.508 50 0 KHAALO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[NH+]1CCN(c3ccccc3F)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000033356828 553944821 /nfs/dbraw/zinc/94/48/21/553944821.db2.gz OOPJVVHFSUETMB-LOYHVIPDSA-N 1 2 558.654 3.618 50 0 KHAALO COc1cc2c(cc1OC)[C@H](C(=O)NCC[NH+]1CCN(c3ccccc3F)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000033356829 553944808 /nfs/dbraw/zinc/94/48/08/553944808.db2.gz OOPJVVHFSUETMB-XZWHSSHBSA-N 1 2 558.654 3.618 50 0 KHAALO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[NH+]1CCN(c3ccccc3F)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000033356830 553944842 /nfs/dbraw/zinc/94/48/42/553944842.db2.gz OOPJVVHFSUETMB-IHLOFXLRSA-N 1 2 558.654 3.618 50 0 KHAALO COc1cc2c(cc1OC)[C@H](C(=O)NCC[NH+]1CCN(c3ccccc3F)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000033356831 553944810 /nfs/dbraw/zinc/94/48/10/553944810.db2.gz OOPJVVHFSUETMB-KYJUHHDHSA-N 1 2 558.654 3.618 50 0 KHAALO O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033357132 553946759 /nfs/dbraw/zinc/94/67/59/553946759.db2.gz GKBINBMSSGNPTI-NOZRDPDXSA-N 1 2 628.730 3.769 50 0 KHAALO Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2ncn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)c12 ZINC000033357546 553948917 /nfs/dbraw/zinc/94/89/17/553948917.db2.gz WBZUWOHXSBRHMP-UHFFFAOYSA-N 1 2 556.570 3.781 50 0 KHAALO COc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)cc3s2)cc1 ZINC000033358095 553953096 /nfs/dbraw/zinc/95/30/96/553953096.db2.gz XAYBGZWXMSUFMR-UHFFFAOYSA-N 1 2 594.723 3.638 50 0 KHAALO CN(c1ccc(OCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1)S(=O)(=O)c1cccs1 ZINC000033574067 1066500725 /nfs/dbraw/zinc/50/07/25/1066500725.db2.gz ZMRZUQROGBIKNR-UITAMQMPSA-N 1 2 511.669 3.810 50 0 KHAALO CC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc1)C(=O)CO2 ZINC000033583598 553963538 /nfs/dbraw/zinc/96/35/38/553963538.db2.gz VPOCIWUZGIVBGG-UHFFFAOYSA-N 1 2 527.577 3.502 50 0 KHAALO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCOCC2)C(=O)Cc2ccccc2)o1 ZINC000033645727 553965643 /nfs/dbraw/zinc/96/56/43/553965643.db2.gz CILSTGJKHCPGBW-UHFFFAOYSA-N 1 2 503.643 3.563 50 0 KHAALO CC(=O)c1ccc2c(c1)N(Cc1cccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c1)C(=O)CO2 ZINC000033665492 553967015 /nfs/dbraw/zinc/96/70/15/553967015.db2.gz KJMULPQXBYJGHD-UHFFFAOYSA-N 1 2 527.577 3.502 50 0 KHAALO CCN(C)c1nc(N2CCN(c3ccc(C)cc3)CC2)[nH+]c2c1CN(C(=O)c1cccc(OC)c1)CC2 ZINC000034676597 553982979 /nfs/dbraw/zinc/98/29/79/553982979.db2.gz WGPBWXJQWUCGSB-UHFFFAOYSA-N 1 2 500.647 3.775 50 0 KHAALO CC(C)N(C)c1nc(N2CCN(c3ccccc3)CC2)[nH+]c2c1CN(C(=O)COc1ccccc1)CC2 ZINC000034676769 553982899 /nfs/dbraw/zinc/98/28/99/553982899.db2.gz MAPTUKHEQFDKCJ-UHFFFAOYSA-N 1 2 500.647 3.612 50 0 KHAALO COc1ccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4ccc(Cl)cc4)co3)CC2)c(OC)c1OC ZINC000034678303 553983912 /nfs/dbraw/zinc/98/39/12/553983912.db2.gz CQOKMQXMMFLHFD-UHFFFAOYSA-N 1 2 500.983 3.924 50 0 KHAALO COc1ccccc1CCNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000034678343 553984079 /nfs/dbraw/zinc/98/40/79/553984079.db2.gz TYMQIZOTQXXAGO-UHFFFAOYSA-N 1 2 502.537 3.992 50 0 KHAALO O=C(c1coc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1)N1CCN(Cc2ccccc2)CC1 ZINC000034678358 553983900 /nfs/dbraw/zinc/98/39/00/553983900.db2.gz OVYJBSQZUDUERA-UHFFFAOYSA-N 1 2 527.591 3.969 50 0 KHAALO O=C(c1coc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1)N1CCN(c2ccccc2)CC1 ZINC000034678395 553984090 /nfs/dbraw/zinc/98/40/90/553984090.db2.gz XHJNGIIMIUSNLY-UHFFFAOYSA-N 1 2 513.564 3.974 50 0 KHAALO O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000034684343 553986648 /nfs/dbraw/zinc/98/66/48/553986648.db2.gz UWUXPPLVPKYBDV-UHFFFAOYSA-N 1 2 502.493 3.670 50 0 KHAALO Cc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)c2cccc(CC(=O)NCC[NH+]3CCOCC3)c2)cc1 ZINC000034685519 553986634 /nfs/dbraw/zinc/98/66/34/553986634.db2.gz SGQAPACCQPEJRS-UHFFFAOYSA-N 1 2 515.610 3.562 50 0 KHAALO CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)N3CC[NH+](CCOC)CC3)cc2[C@@H]1c1ccc(C)cc1 ZINC000034685595 553987016 /nfs/dbraw/zinc/98/70/16/553987016.db2.gz GSUOTVVOKBAQJW-YTMVLYRLSA-N 1 2 507.675 3.827 50 0 KHAALO CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)N3CC[NH+](CCOC)CC3)cc2[C@@H]1c1ccc(C)cc1 ZINC000034685596 553987002 /nfs/dbraw/zinc/98/70/02/553987002.db2.gz GSUOTVVOKBAQJW-PXJZQJOASA-N 1 2 507.675 3.827 50 0 KHAALO CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)N3CC[NH+](CCOC)CC3)cc2[C@H]1c1ccc(C)cc1 ZINC000034685597 553986997 /nfs/dbraw/zinc/98/69/97/553986997.db2.gz GSUOTVVOKBAQJW-LMSSTIIKSA-N 1 2 507.675 3.827 50 0 KHAALO CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)N3CC[NH+](CCOC)CC3)cc2[C@H]1c1ccc(C)cc1 ZINC000034685598 553986961 /nfs/dbraw/zinc/98/69/61/553986961.db2.gz GSUOTVVOKBAQJW-XRKRLSELSA-N 1 2 507.675 3.827 50 0 KHAALO COCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685695 553987409 /nfs/dbraw/zinc/98/74/09/553987409.db2.gz TXIQAXSFKOTJRE-MUAVYFROSA-N 1 2 531.653 3.934 50 0 KHAALO COCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685696 553987349 /nfs/dbraw/zinc/98/73/49/553987349.db2.gz TXIQAXSFKOTJRE-IADCTJSHSA-N 1 2 531.653 3.934 50 0 KHAALO COCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685697 553987336 /nfs/dbraw/zinc/98/73/36/553987336.db2.gz TXIQAXSFKOTJRE-RNWIMVQKSA-N 1 2 531.653 3.934 50 0 KHAALO COCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685698 553987394 /nfs/dbraw/zinc/98/73/94/553987394.db2.gz TXIQAXSFKOTJRE-BTYSJIOQSA-N 1 2 531.653 3.934 50 0 KHAALO CC[C@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)N1CC[NH+](CCOC)CC1 ZINC000034685723 553987768 /nfs/dbraw/zinc/98/77/68/553987768.db2.gz CYJNNWLHEPIATR-VMPREFPWSA-N 1 2 519.686 3.827 50 0 KHAALO CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)N1CC[NH+](CCOC)CC1 ZINC000034685724 553987663 /nfs/dbraw/zinc/98/76/63/553987663.db2.gz CYJNNWLHEPIATR-WDYNHAJCSA-N 1 2 519.686 3.827 50 0 KHAALO CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)N1CC[NH+](CCOC)CC1 ZINC000034685725 553987738 /nfs/dbraw/zinc/98/77/38/553987738.db2.gz CYJNNWLHEPIATR-URLMMPGGSA-N 1 2 519.686 3.827 50 0 KHAALO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)N1CC[NH+](CCOC)CC1 ZINC000034685726 553987687 /nfs/dbraw/zinc/98/76/87/553987687.db2.gz CYJNNWLHEPIATR-FQLXRVMXSA-N 1 2 519.686 3.827 50 0 KHAALO Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc1 ZINC000034686207 553987953 /nfs/dbraw/zinc/98/79/53/553987953.db2.gz HCXZSWPVPWFKQH-JOCHJYFZSA-N 1 2 520.457 3.617 50 0 KHAALO Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc1 ZINC000034686208 553987959 /nfs/dbraw/zinc/98/79/59/553987959.db2.gz HCXZSWPVPWFKQH-QFIPXVFZSA-N 1 2 520.457 3.617 50 0 KHAALO COc1ccc(CC(=O)N2CCc3[nH+]c(N4CCN(c5ccccc5)CC4)nc(N4CCCCC4)c3C2)cc1 ZINC000034756239 553999270 /nfs/dbraw/zinc/99/92/70/553999270.db2.gz RWPWUDHZQJIJER-UHFFFAOYSA-N 1 2 526.685 3.930 50 0 KHAALO COc1ccc(CC(=O)N2CCc3[nH+]c(N4CCN(c5ccccc5)CC4)nc(N(C)C(C)C)c3C2)cc1 ZINC000034756390 553999365 /nfs/dbraw/zinc/99/93/65/553999365.db2.gz QYILDVHLSKMLRY-UHFFFAOYSA-N 1 2 514.674 3.784 50 0 KHAALO Cc1cccc(S(=O)(=O)N2CCc3[nH+]c(N4CCN(c5ccccc5)CC4)nc(N(C)C(C)C)c3C2)c1 ZINC000034756707 553999449 /nfs/dbraw/zinc/99/94/49/553999449.db2.gz BXSQZORNHMOPJG-UHFFFAOYSA-N 1 2 520.703 3.703 50 0 KHAALO COCC[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000034761381 554001844 /nfs/dbraw/zinc/00/18/44/554001844.db2.gz VOIFFFYDVCUFFS-JWGURIENSA-N 1 2 500.020 3.981 50 0 KHAALO COCC[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4F)C3=O)cc2)CC1 ZINC000034761453 554001813 /nfs/dbraw/zinc/00/18/13/554001813.db2.gz QLXPFEQKGBRTTR-JCMHNJIXSA-N 1 2 501.555 3.606 50 0 KHAALO COCC[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)c(F)c4)C3=O)cc2)CC1 ZINC000034761471 554001867 /nfs/dbraw/zinc/00/18/67/554001867.db2.gz VIOMRUWBWVLIRB-JCMHNJIXSA-N 1 2 501.555 3.606 50 0 KHAALO COCC[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2)CC1 ZINC000034761488 554001821 /nfs/dbraw/zinc/00/18/21/554001821.db2.gz UROMOJGZOBKKHL-JWGURIENSA-N 1 2 500.020 3.981 50 0 KHAALO COCC[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)c2)CC1 ZINC000034761743 554002256 /nfs/dbraw/zinc/00/22/56/554002256.db2.gz YXLKRLZMJRQSBD-JWGURIENSA-N 1 2 500.020 3.981 50 0 KHAALO COCC[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4F)C3=O)c2)CC1 ZINC000034761835 554002212 /nfs/dbraw/zinc/00/22/12/554002212.db2.gz RGIYOHNRERWVIQ-HMAPJEAMSA-N 1 2 501.555 3.606 50 0 KHAALO COc1cc(-c2nnc(CCC(=O)NCC[NH+]3CCCCC3)c(=O)[nH]2)ccc1OCc1ccc(F)cc1 ZINC000034766365 554002520 /nfs/dbraw/zinc/00/25/20/554002520.db2.gz PTZKWHUCMWAPPG-UHFFFAOYSA-N 1 2 509.582 3.506 50 0 KHAALO COc1cc(-c2nnc(CCC(=O)NCC[NH+]3CCCCC3)c(=O)[nH]2)ccc1OCc1ccccc1F ZINC000034766439 554002562 /nfs/dbraw/zinc/00/25/62/554002562.db2.gz DZTLOHHHWIQTJL-UHFFFAOYSA-N 1 2 509.582 3.506 50 0 KHAALO COc1cc(-c2nnc(CCC(=O)NCC[NH+]3CCCCC3)c(=O)[nH]2)ccc1OCc1cccc(F)c1 ZINC000034766614 554002816 /nfs/dbraw/zinc/00/28/16/554002816.db2.gz KLRQQJOZNYDTBZ-UHFFFAOYSA-N 1 2 509.582 3.506 50 0 KHAALO COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000034785983 554004056 /nfs/dbraw/zinc/00/40/56/554004056.db2.gz YBZJVHRUMVGQEE-UHFFFAOYSA-N 1 2 504.513 3.603 50 0 KHAALO COc1ccc(CC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788328 554005687 /nfs/dbraw/zinc/00/56/87/554005687.db2.gz GAVSNOAXXOPFMG-NDEPHWFRSA-N 1 2 507.631 3.757 50 0 KHAALO COc1ccc(CC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788328 554005682 /nfs/dbraw/zinc/00/56/82/554005682.db2.gz GAVSNOAXXOPFMG-NDEPHWFRSA-N 1 2 507.631 3.757 50 0 KHAALO COc1ccc(CC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788332 554005885 /nfs/dbraw/zinc/00/58/85/554005885.db2.gz GAVSNOAXXOPFMG-MUUNZHRXSA-N 1 2 507.631 3.757 50 0 KHAALO COc1ccc(CC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788332 554005883 /nfs/dbraw/zinc/00/58/83/554005883.db2.gz GAVSNOAXXOPFMG-MUUNZHRXSA-N 1 2 507.631 3.757 50 0 KHAALO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034788349 554005755 /nfs/dbraw/zinc/00/57/55/554005755.db2.gz VPSHJEVIZJDHMC-MHZLTWQESA-N 1 2 523.630 3.837 50 0 KHAALO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034788349 554005750 /nfs/dbraw/zinc/00/57/50/554005750.db2.gz VPSHJEVIZJDHMC-MHZLTWQESA-N 1 2 523.630 3.837 50 0 KHAALO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034788352 554005852 /nfs/dbraw/zinc/00/58/52/554005852.db2.gz VPSHJEVIZJDHMC-HHHXNRCGSA-N 1 2 523.630 3.837 50 0 KHAALO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034788352 554005850 /nfs/dbraw/zinc/00/58/50/554005850.db2.gz VPSHJEVIZJDHMC-HHHXNRCGSA-N 1 2 523.630 3.837 50 0 KHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788383 554005811 /nfs/dbraw/zinc/00/58/11/554005811.db2.gz ONLZQKPZFWIAQW-AREMUKBSSA-N 1 2 507.587 3.548 50 0 KHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788383 554005809 /nfs/dbraw/zinc/00/58/09/554005809.db2.gz ONLZQKPZFWIAQW-AREMUKBSSA-N 1 2 507.587 3.548 50 0 KHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788387 554005672 /nfs/dbraw/zinc/00/56/72/554005672.db2.gz ONLZQKPZFWIAQW-SANMLTNESA-N 1 2 507.587 3.548 50 0 KHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788387 554005667 /nfs/dbraw/zinc/00/56/67/554005667.db2.gz ONLZQKPZFWIAQW-SANMLTNESA-N 1 2 507.587 3.548 50 0 KHAALO O=C(COCc1ccccc1)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788431 554005738 /nfs/dbraw/zinc/00/57/38/554005738.db2.gz USHHQEAYHBBCFT-NDEPHWFRSA-N 1 2 507.631 3.722 50 0 KHAALO O=C(COCc1ccccc1)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788431 554005735 /nfs/dbraw/zinc/00/57/35/554005735.db2.gz USHHQEAYHBBCFT-NDEPHWFRSA-N 1 2 507.631 3.722 50 0 KHAALO O=C(COCc1ccccc1)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788434 554005844 /nfs/dbraw/zinc/00/58/44/554005844.db2.gz USHHQEAYHBBCFT-MUUNZHRXSA-N 1 2 507.631 3.722 50 0 KHAALO O=C(COCc1ccccc1)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788434 554005841 /nfs/dbraw/zinc/00/58/41/554005841.db2.gz USHHQEAYHBBCFT-MUUNZHRXSA-N 1 2 507.631 3.722 50 0 KHAALO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788604 554005958 /nfs/dbraw/zinc/00/59/58/554005958.db2.gz KGNDGLODVQXWFH-NDEPHWFRSA-N 1 2 507.631 3.975 50 0 KHAALO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788604 554005956 /nfs/dbraw/zinc/00/59/56/554005956.db2.gz KGNDGLODVQXWFH-NDEPHWFRSA-N 1 2 507.631 3.975 50 0 KHAALO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788607 554005786 /nfs/dbraw/zinc/00/57/86/554005786.db2.gz KGNDGLODVQXWFH-MUUNZHRXSA-N 1 2 507.631 3.975 50 0 KHAALO O=C(COc1ccccc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788607 554005784 /nfs/dbraw/zinc/00/57/84/554005784.db2.gz KGNDGLODVQXWFH-MUUNZHRXSA-N 1 2 507.631 3.975 50 0 KHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788682 554006318 /nfs/dbraw/zinc/00/63/18/554006318.db2.gz AFGLSHAFYIXYSV-HHHXNRCGSA-N 1 2 521.614 3.938 50 0 KHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788682 554006315 /nfs/dbraw/zinc/00/63/15/554006315.db2.gz AFGLSHAFYIXYSV-HHHXNRCGSA-N 1 2 521.614 3.938 50 0 KHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788686 554006444 /nfs/dbraw/zinc/00/64/44/554006444.db2.gz AFGLSHAFYIXYSV-MHZLTWQESA-N 1 2 521.614 3.938 50 0 KHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788686 554006441 /nfs/dbraw/zinc/00/64/41/554006441.db2.gz AFGLSHAFYIXYSV-MHZLTWQESA-N 1 2 521.614 3.938 50 0 KHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034789036 554006659 /nfs/dbraw/zinc/00/66/59/554006659.db2.gz ISUVBKDFXVZMFD-SANMLTNESA-N 1 2 513.660 3.758 50 0 KHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034789036 554006657 /nfs/dbraw/zinc/00/66/57/554006657.db2.gz ISUVBKDFXVZMFD-SANMLTNESA-N 1 2 513.660 3.758 50 0 KHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3n[nH]c4c3CN(C(=O)c3ccc(C(F)(F)F)cc3)CC4)CC2)cc1 ZINC000034790211 554006764 /nfs/dbraw/zinc/00/67/64/554006764.db2.gz LMCVTDUVKIEJQG-UHFFFAOYSA-N 1 2 511.548 3.893 50 0 KHAALO O=C(c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000034811286 554010566 /nfs/dbraw/zinc/01/05/66/554010566.db2.gz HBSDLPRPXPKFSK-VMPITWQZSA-N 1 2 507.997 3.803 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@H](C)C2)cc1 ZINC000034829662 554012055 /nfs/dbraw/zinc/01/20/55/554012055.db2.gz KTHYSHBRWCMFTL-PBBNMVCDSA-N 1 2 519.667 3.843 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@H](C)C2)cc1 ZINC000034829662 554012051 /nfs/dbraw/zinc/01/20/51/554012051.db2.gz KTHYSHBRWCMFTL-PBBNMVCDSA-N 1 2 519.667 3.843 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)cc1 ZINC000034829663 554012730 /nfs/dbraw/zinc/01/27/30/554012730.db2.gz KTHYSHBRWCMFTL-LGGPFLRQSA-N 1 2 519.667 3.843 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)cc1 ZINC000034829663 554012726 /nfs/dbraw/zinc/01/27/26/554012726.db2.gz KTHYSHBRWCMFTL-LGGPFLRQSA-N 1 2 519.667 3.843 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829692 554012602 /nfs/dbraw/zinc/01/26/02/554012602.db2.gz OCRSTZVIDXWCGT-RCRUUEGKSA-N 1 2 533.694 3.980 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829692 554012599 /nfs/dbraw/zinc/01/25/99/554012599.db2.gz OCRSTZVIDXWCGT-RCRUUEGKSA-N 1 2 533.694 3.980 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000034829693 554012558 /nfs/dbraw/zinc/01/25/58/554012558.db2.gz OCRSTZVIDXWCGT-CHJDUVSTSA-N 1 2 533.694 3.980 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000034829693 554012555 /nfs/dbraw/zinc/01/25/55/554012555.db2.gz OCRSTZVIDXWCGT-CHJDUVSTSA-N 1 2 533.694 3.980 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COc1ccccc1 ZINC000034829892 554012953 /nfs/dbraw/zinc/01/29/53/554012953.db2.gz HHCPONBBVRXODZ-NGOKVRLYSA-N 1 2 507.631 3.973 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COc1ccccc1 ZINC000034829892 554012949 /nfs/dbraw/zinc/01/29/49/554012949.db2.gz HHCPONBBVRXODZ-NGOKVRLYSA-N 1 2 507.631 3.973 50 0 KHAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COc1ccccc1 ZINC000034829893 554012911 /nfs/dbraw/zinc/01/29/11/554012911.db2.gz HHCPONBBVRXODZ-MMTVBGGISA-N 1 2 507.631 3.973 50 0 KHAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COc1ccccc1 ZINC000034829893 554012908 /nfs/dbraw/zinc/01/29/08/554012908.db2.gz HHCPONBBVRXODZ-MMTVBGGISA-N 1 2 507.631 3.973 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829916 554013663 /nfs/dbraw/zinc/01/36/63/554013663.db2.gz WGXAQJDBRZLRAY-CLYVBNDRSA-N 1 2 521.614 3.937 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829916 554013660 /nfs/dbraw/zinc/01/36/60/554013660.db2.gz WGXAQJDBRZLRAY-CLYVBNDRSA-N 1 2 521.614 3.937 50 0 KHAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829917 554013528 /nfs/dbraw/zinc/01/35/28/554013528.db2.gz WGXAQJDBRZLRAY-MYUZEXMDSA-N 1 2 521.614 3.937 50 0 KHAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829917 554013524 /nfs/dbraw/zinc/01/35/24/554013524.db2.gz WGXAQJDBRZLRAY-MYUZEXMDSA-N 1 2 521.614 3.937 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829984 554013823 /nfs/dbraw/zinc/01/38/23/554013823.db2.gz UAHADDNAMKDBDQ-HRFSGMKKSA-N 1 2 525.696 3.626 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829984 554013820 /nfs/dbraw/zinc/01/38/20/554013820.db2.gz UAHADDNAMKDBDQ-HRFSGMKKSA-N 1 2 525.696 3.626 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000034829985 554014004 /nfs/dbraw/zinc/01/40/04/554014004.db2.gz UAHADDNAMKDBDQ-DCFHFQCYSA-N 1 2 525.696 3.626 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000034829985 554014002 /nfs/dbraw/zinc/01/40/02/554014002.db2.gz UAHADDNAMKDBDQ-DCFHFQCYSA-N 1 2 525.696 3.626 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829990 554014081 /nfs/dbraw/zinc/01/40/81/554014081.db2.gz NABLLFWQDBOTPK-BCHFMIIMSA-N 1 2 513.660 3.756 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829990 554014077 /nfs/dbraw/zinc/01/40/77/554014077.db2.gz NABLLFWQDBOTPK-BCHFMIIMSA-N 1 2 513.660 3.756 50 0 KHAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829991 554013956 /nfs/dbraw/zinc/01/39/56/554013956.db2.gz NABLLFWQDBOTPK-SIBVEZHUSA-N 1 2 513.660 3.756 50 0 KHAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829991 554013952 /nfs/dbraw/zinc/01/39/52/554013952.db2.gz NABLLFWQDBOTPK-SIBVEZHUSA-N 1 2 513.660 3.756 50 0 KHAALO CCn1c(=O)cc(C(F)(F)F)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc21 ZINC000034836106 554020494 /nfs/dbraw/zinc/02/04/94/554020494.db2.gz SLLLHJMIYUYNMW-UHFFFAOYSA-N 1 2 503.521 3.772 50 0 KHAALO O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000035361662 554044143 /nfs/dbraw/zinc/04/41/43/554044143.db2.gz BCVWLAYSDSIVNI-VDKIKQQVSA-N 1 2 514.642 3.924 50 0 KHAALO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000035361663 554044299 /nfs/dbraw/zinc/04/42/99/554044299.db2.gz BCVWLAYSDSIVNI-GIFXNVAJSA-N 1 2 514.642 3.924 50 0 KHAALO COc1ccc(C(O)=C2[C@]3(C(=O)Nc4ccccc43)[N@@H+]3CCC[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000035361865 554044170 /nfs/dbraw/zinc/04/41/70/554044170.db2.gz GKYVNSKNUJRCQJ-RQMUNXDHSA-N 1 2 509.562 3.718 50 0 biogenic KHAALO COc1ccc(C(O)=C2[C@]3(C(=O)Nc4ccccc43)[N@H+]3CCC[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000035361865 554044167 /nfs/dbraw/zinc/04/41/67/554044167.db2.gz GKYVNSKNUJRCQJ-RQMUNXDHSA-N 1 2 509.562 3.718 50 0 biogenic KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000035369363 554044923 /nfs/dbraw/zinc/04/49/23/554044923.db2.gz YCAOJENIDDZZCH-OAHLLOKOSA-N 1 2 515.408 3.875 50 0 KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000035369363 554044918 /nfs/dbraw/zinc/04/49/18/554044918.db2.gz YCAOJENIDDZZCH-OAHLLOKOSA-N 1 2 515.408 3.875 50 0 KHAALO CN(CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000035481363 554056512 /nfs/dbraw/zinc/05/65/12/554056512.db2.gz PVBZEGZVRXHRDA-UHFFFAOYSA-N 1 2 504.664 3.848 50 0 KHAALO COCCN1C(=O)C(c2c(=O)n(-c3ccc(Cl)c(Cl)c3)[nH]c2C(C)C)=C([n+]2ccccc2)C1=O ZINC000035712719 554067082 /nfs/dbraw/zinc/06/70/82/554067082.db2.gz YFRSAMURJIELGV-UHFFFAOYSA-O 1 2 502.378 3.679 50 0 KHAALO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCOCC2)C(=O)Cc2ccccc2)o1 ZINC000035765708 554071460 /nfs/dbraw/zinc/07/14/60/554071460.db2.gz MIHKENLBHCMGDM-UHFFFAOYSA-N 1 2 507.606 3.659 50 0 KHAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000035840272 554080368 /nfs/dbraw/zinc/08/03/68/554080368.db2.gz CKPOIXXYEJTRKN-DEOSSOPVSA-N 1 2 522.561 3.789 50 0 KHAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000035840272 554080366 /nfs/dbraw/zinc/08/03/66/554080366.db2.gz CKPOIXXYEJTRKN-DEOSSOPVSA-N 1 2 522.561 3.789 50 0 KHAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000035840276 554080359 /nfs/dbraw/zinc/08/03/59/554080359.db2.gz CKPOIXXYEJTRKN-XMMPIXPASA-N 1 2 522.561 3.789 50 0 KHAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000035840276 554080358 /nfs/dbraw/zinc/08/03/58/554080358.db2.gz CKPOIXXYEJTRKN-XMMPIXPASA-N 1 2 522.561 3.789 50 0 KHAALO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035843150 554081665 /nfs/dbraw/zinc/08/16/65/554081665.db2.gz CRAKYEFRECZKOI-UHFFFAOYSA-N 1 2 500.983 3.776 50 0 KHAALO CCC[C@@H](C(=O)OCC)N(CC[NH+]1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844735 554083228 /nfs/dbraw/zinc/08/32/28/554083228.db2.gz IMKWNMKPEGPAKN-MHZLTWQESA-N 1 2 513.679 3.525 50 0 KHAALO CCC[C@H](C(=O)OCC)N(CC[NH+]1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844736 554083237 /nfs/dbraw/zinc/08/32/37/554083237.db2.gz IMKWNMKPEGPAKN-HHHXNRCGSA-N 1 2 513.679 3.525 50 0 KHAALO CCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc(F)cc4)CC2)n1)CC[N@@H+](CC)C3 ZINC000035868068 554085061 /nfs/dbraw/zinc/08/50/61/554085061.db2.gz ORKXRGLBZOKDHP-UHFFFAOYSA-N 1 2 503.669 3.672 50 0 KHAALO CCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc(F)cc4)CC2)n1)CC[N@H+](CC)C3 ZINC000035868068 554085058 /nfs/dbraw/zinc/08/50/58/554085058.db2.gz ORKXRGLBZOKDHP-UHFFFAOYSA-N 1 2 503.669 3.672 50 0 KHAALO CCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc(OC)cc4)CC2)n1)CC[N@@H+](CC)C3 ZINC000035868069 554085010 /nfs/dbraw/zinc/08/50/10/554085010.db2.gz VBEVUMHSLGZGMK-UHFFFAOYSA-N 1 2 515.705 3.541 50 0 KHAALO CCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc(OC)cc4)CC2)n1)CC[N@H+](CC)C3 ZINC000035868069 554085007 /nfs/dbraw/zinc/08/50/07/554085007.db2.gz VBEVUMHSLGZGMK-UHFFFAOYSA-N 1 2 515.705 3.541 50 0 KHAALO CCCC[C@@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926399 554099723 /nfs/dbraw/zinc/09/97/23/554099723.db2.gz GALPKQNVFMARAH-OAQYLSRUSA-N 1 2 515.102 3.611 50 0 KHAALO CCCC[C@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926400 554099412 /nfs/dbraw/zinc/09/94/12/554099412.db2.gz GALPKQNVFMARAH-NRFANRHFSA-N 1 2 515.102 3.611 50 0 KHAALO CC[NH+]1CCN(C2=C(c3c(=O)n(-c4ccc(F)cc4)[nH]c3C(C)C)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000035960745 554108866 /nfs/dbraw/zinc/10/88/66/554108866.db2.gz JKCULOGZXLYPPY-UHFFFAOYSA-N 1 2 509.626 3.891 50 0 KHAALO CC(C)c1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C(N2CC[NH+](C)CC2)C(=O)N(C(C)C)C1=O ZINC000035960892 554108829 /nfs/dbraw/zinc/10/88/29/554108829.db2.gz MOASHNKWZHWOCC-UHFFFAOYSA-N 1 2 506.434 3.744 50 0 KHAALO Cc1c2c(cc(=O)n1CC[NH+]1CCOCC1)n(CC(=O)Nc1ccc(Br)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000035982607 554118806 /nfs/dbraw/zinc/11/88/06/554118806.db2.gz XWCJGPBUHHKNJY-UHFFFAOYSA-N 1 2 623.533 3.605 50 0 KHAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991478 554124108 /nfs/dbraw/zinc/12/41/08/554124108.db2.gz ZMBSHERITMAWOK-NRFANRHFSA-N 1 2 511.541 3.884 50 0 KHAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991479 554124182 /nfs/dbraw/zinc/12/41/82/554124182.db2.gz ZMBSHERITMAWOK-OAQYLSRUSA-N 1 2 511.541 3.884 50 0 KHAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000035991718 554124134 /nfs/dbraw/zinc/12/41/34/554124134.db2.gz YTEWIMXAUJUTOY-NRFANRHFSA-N 1 2 511.541 3.884 50 0 KHAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000035991719 554124169 /nfs/dbraw/zinc/12/41/69/554124169.db2.gz YTEWIMXAUJUTOY-OAQYLSRUSA-N 1 2 511.541 3.884 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035991814 554124148 /nfs/dbraw/zinc/12/41/48/554124148.db2.gz MRSGHHPFBXKOSY-QFIPXVFZSA-N 1 2 511.450 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035991814 554124145 /nfs/dbraw/zinc/12/41/45/554124145.db2.gz MRSGHHPFBXKOSY-QFIPXVFZSA-N 1 2 511.450 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000035991815 554124356 /nfs/dbraw/zinc/12/43/56/554124356.db2.gz MRSGHHPFBXKOSY-JOCHJYFZSA-N 1 2 511.450 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000035991815 554124352 /nfs/dbraw/zinc/12/43/52/554124352.db2.gz MRSGHHPFBXKOSY-JOCHJYFZSA-N 1 2 511.450 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992784 554126008 /nfs/dbraw/zinc/12/60/08/554126008.db2.gz DLGNYPQDLAAKKU-XMMPIXPASA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992784 554126005 /nfs/dbraw/zinc/12/60/05/554126005.db2.gz DLGNYPQDLAAKKU-XMMPIXPASA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992785 554126069 /nfs/dbraw/zinc/12/60/69/554126069.db2.gz DLGNYPQDLAAKKU-DEOSSOPVSA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992785 554126064 /nfs/dbraw/zinc/12/60/64/554126064.db2.gz DLGNYPQDLAAKKU-DEOSSOPVSA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992786 554126161 /nfs/dbraw/zinc/12/61/61/554126161.db2.gz HPAZFRCVTUAFLT-XMMPIXPASA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992786 554126157 /nfs/dbraw/zinc/12/61/57/554126157.db2.gz HPAZFRCVTUAFLT-XMMPIXPASA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992787 554126043 /nfs/dbraw/zinc/12/60/43/554126043.db2.gz HPAZFRCVTUAFLT-DEOSSOPVSA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992787 554126039 /nfs/dbraw/zinc/12/60/39/554126039.db2.gz HPAZFRCVTUAFLT-DEOSSOPVSA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992820 554126136 /nfs/dbraw/zinc/12/61/36/554126136.db2.gz YUPROMIBTHHAKC-VWLOTQADSA-N 1 2 526.584 3.716 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992820 554126131 /nfs/dbraw/zinc/12/61/31/554126131.db2.gz YUPROMIBTHHAKC-VWLOTQADSA-N 1 2 526.584 3.716 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992821 554126197 /nfs/dbraw/zinc/12/61/97/554126197.db2.gz YUPROMIBTHHAKC-RUZDIDTESA-N 1 2 526.584 3.716 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992821 554126192 /nfs/dbraw/zinc/12/61/92/554126192.db2.gz YUPROMIBTHHAKC-RUZDIDTESA-N 1 2 526.584 3.716 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992822 554126081 /nfs/dbraw/zinc/12/60/81/554126081.db2.gz AKMQSPQPXGONRA-VWLOTQADSA-N 1 2 526.584 3.716 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992822 554126076 /nfs/dbraw/zinc/12/60/76/554126076.db2.gz AKMQSPQPXGONRA-VWLOTQADSA-N 1 2 526.584 3.716 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992823 554126112 /nfs/dbraw/zinc/12/61/12/554126112.db2.gz AKMQSPQPXGONRA-RUZDIDTESA-N 1 2 526.584 3.716 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992823 554126109 /nfs/dbraw/zinc/12/61/09/554126109.db2.gz AKMQSPQPXGONRA-RUZDIDTESA-N 1 2 526.584 3.716 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000035992864 554126453 /nfs/dbraw/zinc/12/64/53/554126453.db2.gz XUHGPOWGHJNKNM-XMMPIXPASA-N 1 2 511.022 3.701 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000035992864 554126449 /nfs/dbraw/zinc/12/64/49/554126449.db2.gz XUHGPOWGHJNKNM-XMMPIXPASA-N 1 2 511.022 3.701 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035992865 554126397 /nfs/dbraw/zinc/12/63/97/554126397.db2.gz XUHGPOWGHJNKNM-DEOSSOPVSA-N 1 2 511.022 3.701 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035992865 554126396 /nfs/dbraw/zinc/12/63/96/554126396.db2.gz XUHGPOWGHJNKNM-DEOSSOPVSA-N 1 2 511.022 3.701 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993409 554126768 /nfs/dbraw/zinc/12/67/68/554126768.db2.gz BLFVLERYKXSKNY-AREMUKBSSA-N 1 2 504.631 3.665 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993409 554126764 /nfs/dbraw/zinc/12/67/64/554126764.db2.gz BLFVLERYKXSKNY-AREMUKBSSA-N 1 2 504.631 3.665 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993410 554126632 /nfs/dbraw/zinc/12/66/32/554126632.db2.gz BLFVLERYKXSKNY-SANMLTNESA-N 1 2 504.631 3.665 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993410 554126629 /nfs/dbraw/zinc/12/66/29/554126629.db2.gz BLFVLERYKXSKNY-SANMLTNESA-N 1 2 504.631 3.665 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993469 554126994 /nfs/dbraw/zinc/12/69/94/554126994.db2.gz DGBDQZADRTZZAY-RUZDIDTESA-N 1 2 505.619 3.748 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993469 554126990 /nfs/dbraw/zinc/12/69/90/554126990.db2.gz DGBDQZADRTZZAY-RUZDIDTESA-N 1 2 505.619 3.748 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993470 554127028 /nfs/dbraw/zinc/12/70/28/554127028.db2.gz DGBDQZADRTZZAY-VWLOTQADSA-N 1 2 505.619 3.748 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993470 554127025 /nfs/dbraw/zinc/12/70/25/554127025.db2.gz DGBDQZADRTZZAY-VWLOTQADSA-N 1 2 505.619 3.748 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccccc3OC)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993473 554126951 /nfs/dbraw/zinc/12/69/51/554126951.db2.gz PZVKIHVWEZKANQ-AREMUKBSSA-N 1 2 535.645 3.757 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccccc3OC)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993473 554126949 /nfs/dbraw/zinc/12/69/49/554126949.db2.gz PZVKIHVWEZKANQ-AREMUKBSSA-N 1 2 535.645 3.757 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccccc3OC)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993474 554127014 /nfs/dbraw/zinc/12/70/14/554127014.db2.gz PZVKIHVWEZKANQ-SANMLTNESA-N 1 2 535.645 3.757 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccccc3OC)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993474 554127012 /nfs/dbraw/zinc/12/70/12/554127012.db2.gz PZVKIHVWEZKANQ-SANMLTNESA-N 1 2 535.645 3.757 50 0 KHAALO O=C(C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000035999857 554127276 /nfs/dbraw/zinc/12/72/76/554127276.db2.gz RJXPVZZFCMFYRF-MUUNZHRXSA-N 1 2 504.590 3.948 50 0 biogenic KHAALO O=C(C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000035999857 554127273 /nfs/dbraw/zinc/12/72/73/554127273.db2.gz RJXPVZZFCMFYRF-MUUNZHRXSA-N 1 2 504.590 3.948 50 0 biogenic KHAALO O=C(C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000035999858 554127287 /nfs/dbraw/zinc/12/72/87/554127287.db2.gz RJXPVZZFCMFYRF-NDEPHWFRSA-N 1 2 504.590 3.948 50 0 biogenic KHAALO O=C(C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000035999858 554127284 /nfs/dbraw/zinc/12/72/84/554127284.db2.gz RJXPVZZFCMFYRF-NDEPHWFRSA-N 1 2 504.590 3.948 50 0 biogenic KHAALO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035999976 554127407 /nfs/dbraw/zinc/12/74/07/554127407.db2.gz ANWJKNDMHZJBPF-UHFFFAOYSA-N 1 2 500.983 3.694 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000028 554127324 /nfs/dbraw/zinc/12/73/24/554127324.db2.gz MHOYDSVAVMPSLW-XMMPIXPASA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000028 554127322 /nfs/dbraw/zinc/12/73/22/554127322.db2.gz MHOYDSVAVMPSLW-XMMPIXPASA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000029 554127302 /nfs/dbraw/zinc/12/73/02/554127302.db2.gz MHOYDSVAVMPSLW-DEOSSOPVSA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000029 554127300 /nfs/dbraw/zinc/12/73/00/554127300.db2.gz MHOYDSVAVMPSLW-DEOSSOPVSA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000036 554127265 /nfs/dbraw/zinc/12/72/65/554127265.db2.gz DJELTKTUOVUGIY-XMMPIXPASA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000036 554127261 /nfs/dbraw/zinc/12/72/61/554127261.db2.gz DJELTKTUOVUGIY-XMMPIXPASA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000037 554127295 /nfs/dbraw/zinc/12/72/95/554127295.db2.gz DJELTKTUOVUGIY-DEOSSOPVSA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000037 554127292 /nfs/dbraw/zinc/12/72/92/554127292.db2.gz DJELTKTUOVUGIY-DEOSSOPVSA-N 1 2 529.012 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCCC3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000038 554127356 /nfs/dbraw/zinc/12/73/56/554127356.db2.gz JLKFRQKSWZRHDI-HSZRJFAPSA-N 1 2 503.043 3.578 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCCC3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000038 554127351 /nfs/dbraw/zinc/12/73/51/554127351.db2.gz JLKFRQKSWZRHDI-HSZRJFAPSA-N 1 2 503.043 3.578 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCCC3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000039 554127551 /nfs/dbraw/zinc/12/75/51/554127551.db2.gz JLKFRQKSWZRHDI-QHCPKHFHSA-N 1 2 503.043 3.578 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCCC3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000039 554127549 /nfs/dbraw/zinc/12/75/49/554127549.db2.gz JLKFRQKSWZRHDI-QHCPKHFHSA-N 1 2 503.043 3.578 50 0 KHAALO O=C(CCN(c1nc(-c2cccc(Br)c2)nc2ccccc21)C1CC1)NCC[NH+]1CCOCC1 ZINC000036000662 554127866 /nfs/dbraw/zinc/12/78/66/554127866.db2.gz YWSCVWBQKYXAGB-UHFFFAOYSA-N 1 2 524.463 3.867 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000036003246 554129269 /nfs/dbraw/zinc/12/92/69/554129269.db2.gz STRACPDQDGTVDC-AREMUKBSSA-N 1 2 504.631 3.665 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000036003246 554129267 /nfs/dbraw/zinc/12/92/67/554129267.db2.gz STRACPDQDGTVDC-AREMUKBSSA-N 1 2 504.631 3.665 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036003247 554129426 /nfs/dbraw/zinc/12/94/26/554129426.db2.gz STRACPDQDGTVDC-SANMLTNESA-N 1 2 504.631 3.665 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036003247 554129421 /nfs/dbraw/zinc/12/94/21/554129421.db2.gz STRACPDQDGTVDC-SANMLTNESA-N 1 2 504.631 3.665 50 0 KHAALO CCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)CC1 ZINC000036003298 554129759 /nfs/dbraw/zinc/12/97/59/554129759.db2.gz PCNNBEKVNWRRPP-SANMLTNESA-N 1 2 535.645 3.729 50 0 KHAALO CCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)CC1 ZINC000036003298 554129755 /nfs/dbraw/zinc/12/97/55/554129755.db2.gz PCNNBEKVNWRRPP-SANMLTNESA-N 1 2 535.645 3.729 50 0 KHAALO CCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)CC1 ZINC000036003299 554129729 /nfs/dbraw/zinc/12/97/29/554129729.db2.gz PCNNBEKVNWRRPP-AREMUKBSSA-N 1 2 535.645 3.729 50 0 KHAALO CCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)CC1 ZINC000036003299 554129726 /nfs/dbraw/zinc/12/97/26/554129726.db2.gz PCNNBEKVNWRRPP-AREMUKBSSA-N 1 2 535.645 3.729 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036005257 554129928 /nfs/dbraw/zinc/12/99/28/554129928.db2.gz ZLRYLVRIMGKIGI-RUZDIDTESA-N 1 2 508.619 3.764 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036005257 554129925 /nfs/dbraw/zinc/12/99/25/554129925.db2.gz ZLRYLVRIMGKIGI-RUZDIDTESA-N 1 2 508.619 3.764 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036005258 554129949 /nfs/dbraw/zinc/12/99/49/554129949.db2.gz ZLRYLVRIMGKIGI-VWLOTQADSA-N 1 2 508.619 3.764 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036005258 554129945 /nfs/dbraw/zinc/12/99/45/554129945.db2.gz ZLRYLVRIMGKIGI-VWLOTQADSA-N 1 2 508.619 3.764 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000036005359 554130193 /nfs/dbraw/zinc/13/01/93/554130193.db2.gz SCLAIMIFZZWGRY-HHHXNRCGSA-N 1 2 518.658 3.973 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000036005359 554130191 /nfs/dbraw/zinc/13/01/91/554130191.db2.gz SCLAIMIFZZWGRY-HHHXNRCGSA-N 1 2 518.658 3.973 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000036005360 554130179 /nfs/dbraw/zinc/13/01/79/554130179.db2.gz SCLAIMIFZZWGRY-MHZLTWQESA-N 1 2 518.658 3.973 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000036005360 554130178 /nfs/dbraw/zinc/13/01/78/554130178.db2.gz SCLAIMIFZZWGRY-MHZLTWQESA-N 1 2 518.658 3.973 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036005433 554130490 /nfs/dbraw/zinc/13/04/90/554130490.db2.gz VQEGTIBADPOUIF-XMMPIXPASA-N 1 2 513.683 3.839 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036005433 554130488 /nfs/dbraw/zinc/13/04/88/554130488.db2.gz VQEGTIBADPOUIF-XMMPIXPASA-N 1 2 513.683 3.839 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036005434 554130366 /nfs/dbraw/zinc/13/03/66/554130366.db2.gz VQEGTIBADPOUIF-DEOSSOPVSA-N 1 2 513.683 3.839 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036005434 554130365 /nfs/dbraw/zinc/13/03/65/554130365.db2.gz VQEGTIBADPOUIF-DEOSSOPVSA-N 1 2 513.683 3.839 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C ZINC000036013836 554134890 /nfs/dbraw/zinc/13/48/90/554134890.db2.gz FIKHVFBBPPLABY-SANMLTNESA-N 1 2 522.621 3.886 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C ZINC000036013836 554134886 /nfs/dbraw/zinc/13/48/86/554134886.db2.gz FIKHVFBBPPLABY-SANMLTNESA-N 1 2 522.621 3.886 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C ZINC000036013837 554134832 /nfs/dbraw/zinc/13/48/32/554134832.db2.gz FIKHVFBBPPLABY-AREMUKBSSA-N 1 2 522.621 3.886 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C ZINC000036013837 554134829 /nfs/dbraw/zinc/13/48/29/554134829.db2.gz FIKHVFBBPPLABY-AREMUKBSSA-N 1 2 522.621 3.886 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036013839 554134843 /nfs/dbraw/zinc/13/48/43/554134843.db2.gz FAUYFWQJRNXQDQ-SANMLTNESA-N 1 2 522.621 3.886 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036013839 554134840 /nfs/dbraw/zinc/13/48/40/554134840.db2.gz FAUYFWQJRNXQDQ-SANMLTNESA-N 1 2 522.621 3.886 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000036013841 554134767 /nfs/dbraw/zinc/13/47/67/554134767.db2.gz FAUYFWQJRNXQDQ-AREMUKBSSA-N 1 2 522.621 3.886 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000036013841 554134764 /nfs/dbraw/zinc/13/47/64/554134764.db2.gz FAUYFWQJRNXQDQ-AREMUKBSSA-N 1 2 522.621 3.886 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013858 554134933 /nfs/dbraw/zinc/13/49/33/554134933.db2.gz HCNKJBGLPDSIRA-QHCPKHFHSA-N 1 2 515.010 3.685 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013858 554134929 /nfs/dbraw/zinc/13/49/29/554134929.db2.gz HCNKJBGLPDSIRA-QHCPKHFHSA-N 1 2 515.010 3.685 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013860 554134857 /nfs/dbraw/zinc/13/48/57/554134857.db2.gz HCNKJBGLPDSIRA-HSZRJFAPSA-N 1 2 515.010 3.685 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013860 554134853 /nfs/dbraw/zinc/13/48/53/554134853.db2.gz HCNKJBGLPDSIRA-HSZRJFAPSA-N 1 2 515.010 3.685 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013885 554134783 /nfs/dbraw/zinc/13/47/83/554134783.db2.gz ORYHLJKLNKPXKN-DEOSSOPVSA-N 1 2 517.070 3.968 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013885 554134781 /nfs/dbraw/zinc/13/47/81/554134781.db2.gz ORYHLJKLNKPXKN-DEOSSOPVSA-N 1 2 517.070 3.968 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013887 554134808 /nfs/dbraw/zinc/13/48/08/554134808.db2.gz ORYHLJKLNKPXKN-XMMPIXPASA-N 1 2 517.070 3.968 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013887 554134805 /nfs/dbraw/zinc/13/48/05/554134805.db2.gz ORYHLJKLNKPXKN-XMMPIXPASA-N 1 2 517.070 3.968 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036014002 554135135 /nfs/dbraw/zinc/13/51/35/554135135.db2.gz AARUAULMXZVQFE-QFIPXVFZSA-N 1 2 520.074 3.759 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036014002 554135133 /nfs/dbraw/zinc/13/51/33/554135133.db2.gz AARUAULMXZVQFE-QFIPXVFZSA-N 1 2 520.074 3.759 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036014004 554135113 /nfs/dbraw/zinc/13/51/13/554135113.db2.gz AARUAULMXZVQFE-JOCHJYFZSA-N 1 2 520.074 3.759 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036014004 554135111 /nfs/dbraw/zinc/13/51/11/554135111.db2.gz AARUAULMXZVQFE-JOCHJYFZSA-N 1 2 520.074 3.759 50 0 KHAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1Cc1ccc(F)cc1 ZINC000036014241 554135519 /nfs/dbraw/zinc/13/55/19/554135519.db2.gz UFLVUNTZRPDEMM-RUZDIDTESA-N 1 2 511.594 3.689 50 0 KHAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1Cc1ccc(F)cc1 ZINC000036014242 554135498 /nfs/dbraw/zinc/13/54/98/554135498.db2.gz UFLVUNTZRPDEMM-VWLOTQADSA-N 1 2 511.594 3.689 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000036017264 554136288 /nfs/dbraw/zinc/13/62/88/554136288.db2.gz SLDPPEAHYWCQRL-QFIPXVFZSA-N 1 2 523.461 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000036017264 554136285 /nfs/dbraw/zinc/13/62/85/554136285.db2.gz SLDPPEAHYWCQRL-QFIPXVFZSA-N 1 2 523.461 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000036017266 554136386 /nfs/dbraw/zinc/13/63/86/554136386.db2.gz SLDPPEAHYWCQRL-JOCHJYFZSA-N 1 2 523.461 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000036017266 554136384 /nfs/dbraw/zinc/13/63/84/554136384.db2.gz SLDPPEAHYWCQRL-JOCHJYFZSA-N 1 2 523.461 3.841 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036017374 554136617 /nfs/dbraw/zinc/13/66/17/554136617.db2.gz XTFZFDRCWRHEGL-DEOSSOPVSA-N 1 2 513.683 3.723 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036017374 554136614 /nfs/dbraw/zinc/13/66/14/554136614.db2.gz XTFZFDRCWRHEGL-DEOSSOPVSA-N 1 2 513.683 3.723 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036017375 554136667 /nfs/dbraw/zinc/13/66/67/554136667.db2.gz XTFZFDRCWRHEGL-XMMPIXPASA-N 1 2 513.683 3.723 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036017375 554136663 /nfs/dbraw/zinc/13/66/63/554136663.db2.gz XTFZFDRCWRHEGL-XMMPIXPASA-N 1 2 513.683 3.723 50 0 KHAALO C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000036019793 554139269 /nfs/dbraw/zinc/13/92/69/554139269.db2.gz YXEANZDYXAMPJS-HSZRJFAPSA-N 1 2 518.058 3.535 50 0 KHAALO C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000036019793 554139268 /nfs/dbraw/zinc/13/92/68/554139268.db2.gz YXEANZDYXAMPJS-HSZRJFAPSA-N 1 2 518.058 3.535 50 0 KHAALO C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000036019794 554139415 /nfs/dbraw/zinc/13/94/15/554139415.db2.gz YXEANZDYXAMPJS-QHCPKHFHSA-N 1 2 518.058 3.535 50 0 KHAALO C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NC(C)C)CC1 ZINC000036019794 554139411 /nfs/dbraw/zinc/13/94/11/554139411.db2.gz YXEANZDYXAMPJS-QHCPKHFHSA-N 1 2 518.058 3.535 50 0 KHAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc4cccnc43)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036024469 554139976 /nfs/dbraw/zinc/13/99/76/554139976.db2.gz ORVQWQGDEIGICE-NTKDMRAZSA-N 1 2 510.635 3.901 50 0 KHAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc4cccnc43)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036024470 554139963 /nfs/dbraw/zinc/13/99/63/554139963.db2.gz ORVQWQGDEIGICE-YADARESESA-N 1 2 510.635 3.901 50 0 KHAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc4cccnc43)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036024471 554140024 /nfs/dbraw/zinc/14/00/24/554140024.db2.gz ORVQWQGDEIGICE-DVECYGJZSA-N 1 2 510.635 3.901 50 0 KHAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc4cccnc43)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036024472 554140018 /nfs/dbraw/zinc/14/00/18/554140018.db2.gz ORVQWQGDEIGICE-CYFREDJKSA-N 1 2 510.635 3.901 50 0 KHAALO C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NCCC)CC1 ZINC000036024709 554140156 /nfs/dbraw/zinc/14/01/56/554140156.db2.gz DRIZPGARYFALBF-QHCPKHFHSA-N 1 2 518.058 3.537 50 0 KHAALO C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NCCC)CC1 ZINC000036024709 554140154 /nfs/dbraw/zinc/14/01/54/554140154.db2.gz DRIZPGARYFALBF-QHCPKHFHSA-N 1 2 518.058 3.537 50 0 KHAALO C=CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NCCC)CC1 ZINC000036024710 554140113 /nfs/dbraw/zinc/14/01/13/554140113.db2.gz DRIZPGARYFALBF-HSZRJFAPSA-N 1 2 518.058 3.537 50 0 KHAALO C=CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NCCC)CC1 ZINC000036024710 554140110 /nfs/dbraw/zinc/14/01/10/554140110.db2.gz DRIZPGARYFALBF-HSZRJFAPSA-N 1 2 518.058 3.537 50 0 KHAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1Cc1ccco1 ZINC000036024804 554140101 /nfs/dbraw/zinc/14/01/01/554140101.db2.gz VABKDMIPDCLGCA-HSZRJFAPSA-N 1 2 500.020 3.657 50 0 KHAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1Cc1ccco1 ZINC000036024805 554140145 /nfs/dbraw/zinc/14/01/45/554140145.db2.gz VABKDMIPDCLGCA-QHCPKHFHSA-N 1 2 500.020 3.657 50 0 KHAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1CCc1ccccn1 ZINC000036027256 554140793 /nfs/dbraw/zinc/14/07/93/554140793.db2.gz JYJCJESRJNEDON-RUZDIDTESA-N 1 2 525.074 3.502 50 0 KHAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1CCc1ccccn1 ZINC000036027257 554140688 /nfs/dbraw/zinc/14/06/88/554140688.db2.gz JYJCJESRJNEDON-VWLOTQADSA-N 1 2 525.074 3.502 50 0 KHAALO COCCCN1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027324 554140839 /nfs/dbraw/zinc/14/08/39/554140839.db2.gz ARZVNNUUDWAGIB-QFIPXVFZSA-N 1 2 526.486 3.554 50 0 KHAALO COCCCN1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027325 554140610 /nfs/dbraw/zinc/14/06/10/554140610.db2.gz ARZVNNUUDWAGIB-JOCHJYFZSA-N 1 2 526.486 3.554 50 0 KHAALO COCCCN1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000036027326 554140860 /nfs/dbraw/zinc/14/08/60/554140860.db2.gz OOAZYOMUMZHHDW-FQEVSTJZSA-N 1 2 526.486 3.554 50 0 KHAALO COCCCN1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000036027327 554140660 /nfs/dbraw/zinc/14/06/60/554140660.db2.gz OOAZYOMUMZHHDW-HXUWFJFHSA-N 1 2 526.486 3.554 50 0 KHAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036028114 554141468 /nfs/dbraw/zinc/14/14/68/554141468.db2.gz 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/nfs/dbraw/zinc/14/18/71/554141871.db2.gz QOZSDQFGNAHFBQ-UHFFFAOYSA-N 1 2 524.666 3.778 50 0 KHAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N1CC1CC1 ZINC000036029868 554142124 /nfs/dbraw/zinc/14/21/24/554142124.db2.gz VCQUWSVTAGRYOG-JOCHJYFZSA-N 1 2 508.471 3.927 50 0 KHAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N1CC1CC1 ZINC000036029869 554142101 /nfs/dbraw/zinc/14/21/01/554142101.db2.gz VCQUWSVTAGRYOG-QFIPXVFZSA-N 1 2 508.471 3.927 50 0 KHAALO COc1ccc(CCN2C(=O)[C@@H](CC(C)C)[NH2+]C23CCN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1OC ZINC000036029902 554142152 /nfs/dbraw/zinc/14/21/52/554142152.db2.gz NWYDSXFTEWMXMQ-XMMPIXPASA-N 1 2 529.703 3.582 50 0 KHAALO COc1ccc(CCN2C(=O)[C@H](CC(C)C)[NH2+]C23CCN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1OC ZINC000036029903 554142110 /nfs/dbraw/zinc/14/21/10/554142110.db2.gz NWYDSXFTEWMXMQ-DEOSSOPVSA-N 1 2 529.703 3.582 50 0 KHAALO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)cc1 ZINC000036032404 554146045 /nfs/dbraw/zinc/14/60/45/554146045.db2.gz SKLCGDPPFZYWSX-UHFFFAOYSA-N 1 2 532.732 3.574 50 0 KHAALO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC3CC3)o2)n1 ZINC000036038925 554147073 /nfs/dbraw/zinc/14/70/73/554147073.db2.gz HLVBQQLXJXZAFL-UHFFFAOYSA-N 1 2 507.616 3.613 50 0 KHAALO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)N3CCCC3)o2)n1 ZINC000036038927 554147204 /nfs/dbraw/zinc/14/72/04/554147204.db2.gz PKFWEDHRXDNNNR-UHFFFAOYSA-N 1 2 521.643 3.957 50 0 KHAALO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036048571 554154532 /nfs/dbraw/zinc/15/45/32/554154532.db2.gz KQTHQUWDVXBUPL-VWLOTQADSA-N 1 2 512.628 3.799 50 0 KHAALO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036048571 554154530 /nfs/dbraw/zinc/15/45/30/554154530.db2.gz KQTHQUWDVXBUPL-VWLOTQADSA-N 1 2 512.628 3.799 50 0 KHAALO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036048572 554154542 /nfs/dbraw/zinc/15/45/42/554154542.db2.gz KQTHQUWDVXBUPL-RUZDIDTESA-N 1 2 512.628 3.799 50 0 KHAALO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036048572 554154539 /nfs/dbraw/zinc/15/45/39/554154539.db2.gz KQTHQUWDVXBUPL-RUZDIDTESA-N 1 2 512.628 3.799 50 0 KHAALO COCc1cc(N(C)Cc2ccccc2)nc(SCc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)n1 ZINC000036061626 554161706 /nfs/dbraw/zinc/16/17/06/554161706.db2.gz GHYANZYMZOGOGN-UHFFFAOYSA-N 1 2 521.687 3.614 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccccc3)c2=O)cc1 ZINC000036064124 554162857 /nfs/dbraw/zinc/16/28/57/554162857.db2.gz YJWUJLSNANWHQX-UHFFFAOYSA-N 1 2 511.582 3.830 50 0 KHAALO COc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c(OC)c1 ZINC000036064236 554163492 /nfs/dbraw/zinc/16/34/92/554163492.db2.gz SRQOGZBLKRTDKH-UHFFFAOYSA-N 1 2 504.587 3.890 50 0 KHAALO COc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c(OC)c1 ZINC000036064236 554163488 /nfs/dbraw/zinc/16/34/88/554163488.db2.gz SRQOGZBLKRTDKH-UHFFFAOYSA-N 1 2 504.587 3.890 50 0 KHAALO COc1ccc(OC)c(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CC[NH+](C)CC3)co2)c1 ZINC000036064248 554163543 /nfs/dbraw/zinc/16/35/43/554163543.db2.gz UGRKBWCMWISPCT-UHFFFAOYSA-N 1 2 517.630 3.806 50 0 KHAALO COc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c1OC ZINC000036065658 554164428 /nfs/dbraw/zinc/16/44/28/554164428.db2.gz FQKVKTISDJUJSY-UHFFFAOYSA-N 1 2 504.587 3.890 50 0 KHAALO COc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c1OC ZINC000036065658 554164426 /nfs/dbraw/zinc/16/44/26/554164426.db2.gz FQKVKTISDJUJSY-UHFFFAOYSA-N 1 2 504.587 3.890 50 0 KHAALO O=C(NCCN1CCOCC1)c1coc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2cccc(F)c2)n1 ZINC000036065686 554164813 /nfs/dbraw/zinc/16/48/13/554164813.db2.gz ZEHRSDBFVOAODQ-UHFFFAOYSA-N 1 2 505.594 3.602 50 0 KHAALO O=C(NCCN1CCOCC1)c1coc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2cccc(F)c2)n1 ZINC000036065686 554164812 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FQJAVVQGENZFQB-UHFFFAOYSA-N 1 2 520.026 3.982 50 0 KHAALO C[N@@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[nH]c2=S)OCO4)cc1)Cc1ccccc1 ZINC000036186924 554200342 /nfs/dbraw/zinc/20/03/42/554200342.db2.gz LKPQQFJXFRDOQK-UHFFFAOYSA-N 1 2 516.623 3.714 50 0 KHAALO C[N@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[nH]c2=S)OCO4)cc1)Cc1ccccc1 ZINC000036186924 554200336 /nfs/dbraw/zinc/20/03/36/554200336.db2.gz LKPQQFJXFRDOQK-UHFFFAOYSA-N 1 2 516.623 3.714 50 0 KHAALO O=C(c1ccc(Cn2c(=O)c3cc4c(cc3[nH]c2=S)OCO4)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000036186927 554200278 /nfs/dbraw/zinc/20/02/78/554200278.db2.gz UYEQRVQOSNKORX-UHFFFAOYSA-N 1 2 506.628 3.553 50 0 KHAALO O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000036188958 554200704 /nfs/dbraw/zinc/20/07/04/554200704.db2.gz CFRVOTPAGNHEOM-UHFFFAOYSA-N 1 2 519.396 3.746 50 0 KHAALO COCC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)Cc1ccccc1 ZINC000036205911 554201557 /nfs/dbraw/zinc/20/15/57/554201557.db2.gz FNJIQCWEXNTZEE-HXUWFJFHSA-N 1 2 509.628 3.721 50 0 KHAALO COCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)Cc1ccccc1 ZINC000036205911 554201553 /nfs/dbraw/zinc/20/15/53/554201553.db2.gz FNJIQCWEXNTZEE-HXUWFJFHSA-N 1 2 509.628 3.721 50 0 KHAALO COCC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000036205915 554201661 /nfs/dbraw/zinc/20/16/61/554201661.db2.gz FNJIQCWEXNTZEE-FQEVSTJZSA-N 1 2 509.628 3.721 50 0 KHAALO COCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000036205915 554201657 /nfs/dbraw/zinc/20/16/57/554201657.db2.gz FNJIQCWEXNTZEE-FQEVSTJZSA-N 1 2 509.628 3.721 50 0 KHAALO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206830 554202025 /nfs/dbraw/zinc/20/20/25/554202025.db2.gz OAFLNLYNCTVVAH-FQEVSTJZSA-N 1 2 501.649 3.894 50 0 KHAALO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206830 554202020 /nfs/dbraw/zinc/20/20/20/554202020.db2.gz OAFLNLYNCTVVAH-FQEVSTJZSA-N 1 2 501.649 3.894 50 0 KHAALO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@@H](O)COCC(C)C)nc(=O)c12 ZINC000036206831 554202082 /nfs/dbraw/zinc/20/20/82/554202082.db2.gz OAFLNLYNCTVVAH-HXUWFJFHSA-N 1 2 501.649 3.894 50 0 KHAALO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@@H](O)COCC(C)C)nc(=O)c12 ZINC000036206831 554202079 /nfs/dbraw/zinc/20/20/79/554202079.db2.gz OAFLNLYNCTVVAH-HXUWFJFHSA-N 1 2 501.649 3.894 50 0 KHAALO COC(=O)c1sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](O)COCc3ccccc3)nc(=O)c2c1C ZINC000036206928 554201924 /nfs/dbraw/zinc/20/19/24/554201924.db2.gz XMQDXSFMALGACY-NRFANRHFSA-N 1 2 507.612 3.660 50 0 KHAALO COC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@H](O)COCc3ccccc3)nc(=O)c2c1C ZINC000036206928 554201922 /nfs/dbraw/zinc/20/19/22/554201922.db2.gz XMQDXSFMALGACY-NRFANRHFSA-N 1 2 507.612 3.660 50 0 KHAALO COC(=O)c1sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@@H](O)COCc3ccccc3)nc(=O)c2c1C ZINC000036206929 554202276 /nfs/dbraw/zinc/20/22/76/554202276.db2.gz XMQDXSFMALGACY-OAQYLSRUSA-N 1 2 507.612 3.660 50 0 KHAALO COC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@@H](O)COCc3ccccc3)nc(=O)c2c1C ZINC000036206929 554202273 /nfs/dbraw/zinc/20/22/73/554202273.db2.gz XMQDXSFMALGACY-OAQYLSRUSA-N 1 2 507.612 3.660 50 0 KHAALO CCOC(=O)c1sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](O)COc3ccccc3)nc(=O)c2c1C ZINC000036207204 554202064 /nfs/dbraw/zinc/20/20/64/554202064.db2.gz MCLNGWVBDOZNAK-FQEVSTJZSA-N 1 2 507.612 3.912 50 0 KHAALO CCOC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@H](O)COc3ccccc3)nc(=O)c2c1C ZINC000036207204 554202061 /nfs/dbraw/zinc/20/20/61/554202061.db2.gz MCLNGWVBDOZNAK-FQEVSTJZSA-N 1 2 507.612 3.912 50 0 KHAALO CCOC(=O)c1sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@@H](O)COc3ccccc3)nc(=O)c2c1C ZINC000036207205 554202298 /nfs/dbraw/zinc/20/22/98/554202298.db2.gz MCLNGWVBDOZNAK-HXUWFJFHSA-N 1 2 507.612 3.912 50 0 KHAALO CCOC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@@H](O)COc3ccccc3)nc(=O)c2c1C ZINC000036207205 554202296 /nfs/dbraw/zinc/20/22/96/554202296.db2.gz MCLNGWVBDOZNAK-HXUWFJFHSA-N 1 2 507.612 3.912 50 0 KHAALO CCc1c(C(=O)OC)sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207304 554202664 /nfs/dbraw/zinc/20/26/64/554202664.db2.gz BGWFZSXNQGIKJY-IBGZPJMESA-N 1 2 507.612 3.776 50 0 KHAALO CCc1c(C(=O)OC)sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207304 554202661 /nfs/dbraw/zinc/20/26/61/554202661.db2.gz BGWFZSXNQGIKJY-IBGZPJMESA-N 1 2 507.612 3.776 50 0 KHAALO CCc1c(C(=O)OC)sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207305 554202531 /nfs/dbraw/zinc/20/25/31/554202531.db2.gz BGWFZSXNQGIKJY-LJQANCHMSA-N 1 2 507.612 3.776 50 0 KHAALO CCc1c(C(=O)OC)sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207305 554202527 /nfs/dbraw/zinc/20/25/27/554202527.db2.gz BGWFZSXNQGIKJY-LJQANCHMSA-N 1 2 507.612 3.776 50 0 KHAALO COC(=O)c1sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@@H](O)COc3ccccc3C)nc(=O)c2c1C ZINC000036207527 554202743 /nfs/dbraw/zinc/20/27/43/554202743.db2.gz RAPCZEAFYNCFEV-HXUWFJFHSA-N 1 2 507.612 3.830 50 0 KHAALO COC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@@H](O)COc3ccccc3C)nc(=O)c2c1C ZINC000036207527 554202740 /nfs/dbraw/zinc/20/27/40/554202740.db2.gz RAPCZEAFYNCFEV-HXUWFJFHSA-N 1 2 507.612 3.830 50 0 KHAALO COC(=O)c1sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](O)COc3ccccc3C)nc(=O)c2c1C ZINC000036207528 554202605 /nfs/dbraw/zinc/20/26/05/554202605.db2.gz RAPCZEAFYNCFEV-FQEVSTJZSA-N 1 2 507.612 3.830 50 0 KHAALO COC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@H](O)COc3ccccc3C)nc(=O)c2c1C ZINC000036207528 554202603 /nfs/dbraw/zinc/20/26/03/554202603.db2.gz RAPCZEAFYNCFEV-FQEVSTJZSA-N 1 2 507.612 3.830 50 0 KHAALO COCC[N@H+](Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)C[C@H](O)COCc1ccco1 ZINC000036207763 554202593 /nfs/dbraw/zinc/20/25/93/554202593.db2.gz DRPVGUMUIKXQFS-SFHVURJKSA-N 1 2 504.008 3.924 50 0 KHAALO COCC[N@@H+](Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)C[C@H](O)COCc1ccco1 ZINC000036207763 554202590 /nfs/dbraw/zinc/20/25/90/554202590.db2.gz DRPVGUMUIKXQFS-SFHVURJKSA-N 1 2 504.008 3.924 50 0 KHAALO COCC[N@H+](Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)C[C@@H](O)COCc1ccco1 ZINC000036207764 554202415 /nfs/dbraw/zinc/20/24/15/554202415.db2.gz DRPVGUMUIKXQFS-GOSISDBHSA-N 1 2 504.008 3.924 50 0 KHAALO COCC[N@@H+](Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)C[C@@H](O)COCc1ccco1 ZINC000036207764 554202411 /nfs/dbraw/zinc/20/24/11/554202411.db2.gz DRPVGUMUIKXQFS-GOSISDBHSA-N 1 2 504.008 3.924 50 0 KHAALO CCN(CC)c1onc(-c2ccccc2)c1CN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036208105 554203053 /nfs/dbraw/zinc/20/30/53/554203053.db2.gz HBBVGGMCGICKAF-UHFFFAOYSA-N 1 2 506.603 3.891 50 0 KHAALO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000036302805 554212975 /nfs/dbraw/zinc/21/29/75/554212975.db2.gz PKLUJMRTEOJQBG-XMMPIXPASA-N 1 2 506.647 3.893 50 0 KHAALO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000036302807 554212997 /nfs/dbraw/zinc/21/29/97/554212997.db2.gz PKLUJMRTEOJQBG-DEOSSOPVSA-N 1 2 506.647 3.893 50 0 KHAALO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)C[NH+]1CCOCC1)C[C@@H]1CCCO1 ZINC000036308637 554216882 /nfs/dbraw/zinc/21/68/82/554216882.db2.gz UWRPLLSNNGEQRD-VPUSJEBWSA-N 1 2 506.647 3.647 50 0 KHAALO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)C[NH+]1CCOCC1)C[C@H]1CCCO1 ZINC000036308641 554216663 /nfs/dbraw/zinc/21/66/63/554216663.db2.gz UWRPLLSNNGEQRD-XNMGPUDCSA-N 1 2 506.647 3.647 50 0 KHAALO CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)Cc1ccco1 ZINC000036309213 554216869 /nfs/dbraw/zinc/21/68/69/554216869.db2.gz JYTSZUNFOZKWHH-YKSBVNFPSA-N 1 2 502.608 3.885 50 0 KHAALO CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)Cc1ccco1 ZINC000036309213 554216866 /nfs/dbraw/zinc/21/68/66/554216866.db2.gz JYTSZUNFOZKWHH-YKSBVNFPSA-N 1 2 502.608 3.885 50 0 KHAALO CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)Cc1ccco1 ZINC000036309214 554216786 /nfs/dbraw/zinc/21/67/86/554216786.db2.gz JYTSZUNFOZKWHH-RDPSFJRHSA-N 1 2 502.608 3.885 50 0 KHAALO CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)Cc1ccco1 ZINC000036309214 554216783 /nfs/dbraw/zinc/21/67/83/554216783.db2.gz JYTSZUNFOZKWHH-RDPSFJRHSA-N 1 2 502.608 3.885 50 0 KHAALO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)c1 ZINC000036312006 554218548 /nfs/dbraw/zinc/21/85/48/554218548.db2.gz NZSDTZAHPDIGGV-AREMUKBSSA-N 1 2 508.619 3.618 50 0 KHAALO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)c1 ZINC000036312007 554218468 /nfs/dbraw/zinc/21/84/68/554218468.db2.gz NZSDTZAHPDIGGV-SANMLTNESA-N 1 2 508.619 3.618 50 0 KHAALO COc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)cc1OC ZINC000036312018 554218397 /nfs/dbraw/zinc/21/83/97/554218397.db2.gz NNTVBBZTXTYWLD-AREMUKBSSA-N 1 2 508.619 3.618 50 0 KHAALO COc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)cc1OC ZINC000036312019 554218496 /nfs/dbraw/zinc/21/84/96/554218496.db2.gz NNTVBBZTXTYWLD-SANMLTNESA-N 1 2 508.619 3.618 50 0 KHAALO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000036316420 554219568 /nfs/dbraw/zinc/21/95/68/554219568.db2.gz MHGVBCTVDTWJDN-XMMPIXPASA-N 1 2 506.647 3.893 50 0 KHAALO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000036316421 554219634 /nfs/dbraw/zinc/21/96/34/554219634.db2.gz MHGVBCTVDTWJDN-DEOSSOPVSA-N 1 2 506.647 3.893 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036341249 554220935 /nfs/dbraw/zinc/22/09/35/554220935.db2.gz XBOKLDJKODNBBQ-VWLOTQADSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036341250 554220780 /nfs/dbraw/zinc/22/07/80/554220780.db2.gz XBOKLDJKODNBBQ-RUZDIDTESA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2OC)CC1 ZINC000036341439 554220992 /nfs/dbraw/zinc/22/09/92/554220992.db2.gz QPSNFZWZOSAIRI-DEOSSOPVSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2OC)CC1 ZINC000036341440 554220830 /nfs/dbraw/zinc/22/08/30/554220830.db2.gz QPSNFZWZOSAIRI-XMMPIXPASA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000036344387 554223064 /nfs/dbraw/zinc/22/30/64/554223064.db2.gz LDKAXHQNARXHEZ-DEOSSOPVSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000036344388 554223095 /nfs/dbraw/zinc/22/30/95/554223095.db2.gz LDKAXHQNARXHEZ-XMMPIXPASA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000036344391 554223051 /nfs/dbraw/zinc/22/30/51/554223051.db2.gz QORZYGVSQFPDOL-DVECYGJZSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000036344391 554223049 /nfs/dbraw/zinc/22/30/49/554223049.db2.gz QORZYGVSQFPDOL-DVECYGJZSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000036344392 554222986 /nfs/dbraw/zinc/22/29/86/554222986.db2.gz QORZYGVSQFPDOL-CYFREDJKSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000036344392 554222983 /nfs/dbraw/zinc/22/29/83/554222983.db2.gz QORZYGVSQFPDOL-CYFREDJKSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344480 554223307 /nfs/dbraw/zinc/22/33/07/554223307.db2.gz ATJHALADPSGPMK-DEOSSOPVSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344481 554223415 /nfs/dbraw/zinc/22/34/15/554223415.db2.gz ATJHALADPSGPMK-XMMPIXPASA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccccc2OC)CC1 ZINC000036345305 554223676 /nfs/dbraw/zinc/22/36/76/554223676.db2.gz OUAWRLVZTMXVAG-QHCPKHFHSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccccc2OC)CC1 ZINC000036345306 554223686 /nfs/dbraw/zinc/22/36/86/554223686.db2.gz OUAWRLVZTMXVAG-HSZRJFAPSA-N 1 2 509.603 3.665 50 0 KHAALO O=C(CCN(Cc1ccco1)c1nc(-c2ccc(F)cc2)nc2ccccc21)NCC[NH+]1CCOCC1 ZINC000037383348 554238021 /nfs/dbraw/zinc/23/80/21/554238021.db2.gz FPWATORTMJJEPR-UHFFFAOYSA-N 1 2 503.578 3.874 50 0 KHAALO COc1ccc(-c2nc3ccccc3c(N(CCC(=O)NCC[NH+]3CCOCC3)Cc3ccco3)n2)cc1 ZINC000037384507 554238419 /nfs/dbraw/zinc/23/84/19/554238419.db2.gz RVXGECTUQMSKGH-UHFFFAOYSA-N 1 2 515.614 3.744 50 0 KHAALO CC[NH+]1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5cccc(C)c5)cc43)o2)CC1 ZINC000037510586 554248856 /nfs/dbraw/zinc/24/88/56/554248856.db2.gz RJJACWVPKHMGJP-UHFFFAOYSA-N 1 2 517.582 3.553 50 0 KHAALO CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)N4CC[NH+](CC)CC4)o2)C(=O)CO3)c1 ZINC000037510822 554248880 /nfs/dbraw/zinc/24/88/80/554248880.db2.gz JCQQNYSTQWQLME-UHFFFAOYSA-N 1 2 531.609 3.807 50 0 KHAALO CC[NH+]1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccc(C)cc5)cc43)o2)CC1 ZINC000037511241 554249301 /nfs/dbraw/zinc/24/93/01/554249301.db2.gz YQUOLJRQKLCWHE-UHFFFAOYSA-N 1 2 517.582 3.553 50 0 KHAALO CC[NH+]1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccccc5C)cc43)o2)CC1 ZINC000037511261 554249214 /nfs/dbraw/zinc/24/92/14/554249214.db2.gz WYDKKLSBCHSUMC-UHFFFAOYSA-N 1 2 517.582 3.553 50 0 KHAALO O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)c1ccc(F)cc1F ZINC000037525224 554250530 /nfs/dbraw/zinc/25/05/30/554250530.db2.gz AKIJGIOUMQIXIY-UHFFFAOYSA-N 1 2 505.569 3.721 50 0 KHAALO COc1cc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3scc(Br)c32)cc(OC)c1 ZINC000037543658 554251142 /nfs/dbraw/zinc/25/11/42/554251142.db2.gz IGORMCGHIYYQDG-UHFFFAOYSA-N 1 2 508.438 3.593 50 0 KHAALO CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000038139387 554260159 /nfs/dbraw/zinc/26/01/59/554260159.db2.gz ZGCCMGXJWZFWMT-UHFFFAOYSA-N 1 2 541.073 3.557 50 0 KHAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000038139400 554260460 /nfs/dbraw/zinc/26/04/60/554260460.db2.gz HPEPXRUMTGVIPA-UHFFFAOYSA-N 1 2 541.073 3.557 50 0 KHAALO Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000038139427 554260387 /nfs/dbraw/zinc/26/03/87/554260387.db2.gz DIDPLGGSALSXIW-UHFFFAOYSA-N 1 2 534.682 3.521 50 0 KHAALO CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000038139437 554260648 /nfs/dbraw/zinc/26/06/48/554260648.db2.gz IAVHNDHFDUUVAT-UHFFFAOYSA-N 1 2 534.682 3.927 50 0 KHAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC[NH+]4CCOCC4)C(=O)N32)cc1 ZINC000038140001 554262284 /nfs/dbraw/zinc/26/22/84/554262284.db2.gz TYNNXAMDNHTMLY-MFMCTBQISA-N 1 2 579.657 3.721 50 0 biogenic KHAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC[NH+]4CCOCC4)C(=O)N32)cc1 ZINC000038140003 554262212 /nfs/dbraw/zinc/26/22/12/554262212.db2.gz TYNNXAMDNHTMLY-JDXGNMNLSA-N 1 2 579.657 3.721 50 0 biogenic KHAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=O ZINC000038140009 554262521 /nfs/dbraw/zinc/26/25/21/554262521.db2.gz QAUFEYITPFCZGA-LMSSTIIKSA-N 1 2 549.631 3.713 50 0 biogenic KHAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=O ZINC000038140011 554262516 /nfs/dbraw/zinc/26/25/16/554262516.db2.gz QAUFEYITPFCZGA-YTMVLYRLSA-N 1 2 549.631 3.713 50 0 biogenic KHAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(F)cc3)N2C1=O ZINC000038140018 554262485 /nfs/dbraw/zinc/26/24/85/554262485.db2.gz DMSRUJBXNPIECM-YTMVLYRLSA-N 1 2 567.621 3.852 50 0 biogenic KHAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(F)cc3)N2C1=O ZINC000038140019 554262538 /nfs/dbraw/zinc/26/25/38/554262538.db2.gz DMSRUJBXNPIECM-LMSSTIIKSA-N 1 2 567.621 3.852 50 0 biogenic KHAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000038140317 554263083 /nfs/dbraw/zinc/26/30/83/554263083.db2.gz USMYBVKXTLANNK-IBGZPJMESA-N 1 2 532.515 3.645 50 0 KHAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000038140318 554263118 /nfs/dbraw/zinc/26/31/18/554263118.db2.gz USMYBVKXTLANNK-LJQANCHMSA-N 1 2 532.515 3.645 50 0 KHAALO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000038536856 554275122 /nfs/dbraw/zinc/27/51/22/554275122.db2.gz GDWWAKCDIOIZDZ-LJQANCHMSA-N 1 2 513.495 3.598 50 0 KHAALO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000038536857 554275196 /nfs/dbraw/zinc/27/51/96/554275196.db2.gz GDWWAKCDIOIZDZ-IBGZPJMESA-N 1 2 513.495 3.598 50 0 KHAALO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000038638239 554275337 /nfs/dbraw/zinc/27/53/37/554275337.db2.gz CMMWNKYLAAOJPG-GJZUVCINSA-N 1 2 530.600 3.587 50 0 KHAALO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000038638241 554275445 /nfs/dbraw/zinc/27/54/45/554275445.db2.gz CMMWNKYLAAOJPG-NVQXNPDNSA-N 1 2 530.600 3.587 50 0 KHAALO O=C(NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000038638244 554275476 /nfs/dbraw/zinc/27/54/76/554275476.db2.gz CMMWNKYLAAOJPG-ATIYNZHBSA-N 1 2 530.600 3.587 50 0 KHAALO O=C(NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000038638246 554275381 /nfs/dbraw/zinc/27/53/81/554275381.db2.gz CMMWNKYLAAOJPG-BKMJKUGQSA-N 1 2 530.600 3.587 50 0 KHAALO COc1c2c(c(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000040309218 554283226 /nfs/dbraw/zinc/28/32/26/554283226.db2.gz IRMQOCWIFBOWNO-UHFFFAOYSA-N 1 2 501.630 3.590 50 0 biogenic KHAALO COc1c2c(c(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)c3c1C[N@H+](C)CC3)OCO2 ZINC000040309218 554283224 /nfs/dbraw/zinc/28/32/24/554283224.db2.gz IRMQOCWIFBOWNO-UHFFFAOYSA-N 1 2 501.630 3.590 50 0 biogenic KHAALO CC[N@@H+](CCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)c1ccccc1 ZINC000040450531 554285532 /nfs/dbraw/zinc/28/55/32/554285532.db2.gz HKZUDGQOSFRADK-UHFFFAOYSA-N 1 2 506.466 3.943 50 0 KHAALO CC[N@H+](CCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)c1ccccc1 ZINC000040450531 554285530 /nfs/dbraw/zinc/28/55/30/554285530.db2.gz HKZUDGQOSFRADK-UHFFFAOYSA-N 1 2 506.466 3.943 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)c1cc2c(nccc2Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2)[nH]1 ZINC000043195804 554297794 /nfs/dbraw/zinc/29/77/94/554297794.db2.gz PKOVTRMHYNEBDU-UHFFFAOYSA-N 1 2 586.624 3.914 50 0 in-vitro KHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(OCC(=O)N[C@@H](C)CCc3ccccc3)co1)CC2 ZINC000049543664 554323569 /nfs/dbraw/zinc/32/35/69/554323569.db2.gz YAQZJVRQQZNEIO-FQEVSTJZSA-N 1 2 506.599 3.732 50 0 biogenic KHAALO COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(OCC(=O)N[C@@H](C)CCc3ccccc3)co1)CC2 ZINC000049543664 554323566 /nfs/dbraw/zinc/32/35/66/554323566.db2.gz YAQZJVRQQZNEIO-FQEVSTJZSA-N 1 2 506.599 3.732 50 0 biogenic KHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(OCC(=O)N[C@H](C)CCc3ccccc3)co1)CC2 ZINC000049543667 554323716 /nfs/dbraw/zinc/32/37/16/554323716.db2.gz YAQZJVRQQZNEIO-HXUWFJFHSA-N 1 2 506.599 3.732 50 0 biogenic KHAALO COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(OCC(=O)N[C@H](C)CCc3ccccc3)co1)CC2 ZINC000049543667 554323714 /nfs/dbraw/zinc/32/37/14/554323714.db2.gz YAQZJVRQQZNEIO-HXUWFJFHSA-N 1 2 506.599 3.732 50 0 biogenic KHAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000050861469 554328142 /nfs/dbraw/zinc/32/81/42/554328142.db2.gz SLMHUDSXLADXNC-UHFFFAOYSA-N 1 2 541.559 4.411 50 0 KHAALO S=C(NCC[NH+]1CCN(C(=S)NC23CC4CC(CC(C4)C2)C3)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000052521549 554329812 /nfs/dbraw/zinc/32/98/12/554329812.db2.gz MMKNOTUTLUGISW-UHFFFAOYSA-N 1 2 515.837 3.880 50 0 KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057058799 554352196 /nfs/dbraw/zinc/35/21/96/554352196.db2.gz LDWKJNLIMNYECA-HNNXBMFYSA-N 1 2 515.408 3.875 50 0 KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057058802 554352204 /nfs/dbraw/zinc/35/22/04/554352204.db2.gz LDWKJNLIMNYECA-OAHLLOKOSA-N 1 2 515.408 3.875 50 0 KHAALO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058839 554352409 /nfs/dbraw/zinc/35/24/09/554352409.db2.gz CWTAYZSOXFWYET-UHFFFAOYSA-N 1 2 520.508 3.751 50 0 KHAALO CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)OCO3 ZINC000057063768 554352249 /nfs/dbraw/zinc/35/22/49/554352249.db2.gz QQPHASRQHWWPLQ-UHFFFAOYSA-N 1 2 518.492 3.853 50 0 KHAALO CCN(CC)S(=O)(=O)c1ccc(NNC=C2c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)[nH+]c1 ZINC000058987340 1066496782 /nfs/dbraw/zinc/49/67/82/1066496782.db2.gz POCJQCRUQCWMPX-QJOMJCCJSA-N 1 2 505.600 3.565 50 0 KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101376 554377674 /nfs/dbraw/zinc/37/76/74/554377674.db2.gz QPIFIEZYAYYEKU-AREMUKBSSA-N 1 2 588.068 3.593 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101376 554377670 /nfs/dbraw/zinc/37/76/70/554377670.db2.gz QPIFIEZYAYYEKU-AREMUKBSSA-N 1 2 588.068 3.593 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101379 554377794 /nfs/dbraw/zinc/37/77/94/554377794.db2.gz QPIFIEZYAYYEKU-SANMLTNESA-N 1 2 588.068 3.593 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101379 554377792 /nfs/dbraw/zinc/37/77/92/554377792.db2.gz QPIFIEZYAYYEKU-SANMLTNESA-N 1 2 588.068 3.593 50 0 biogenic KHAALO COc1ccc(C)cc1NC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000059101620 554377760 /nfs/dbraw/zinc/37/77/60/554377760.db2.gz RGIIVRQJPZIKDD-DEOSSOPVSA-N 1 2 528.569 3.546 50 0 biogenic KHAALO COc1ccc(C)cc1NC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000059101620 554377758 /nfs/dbraw/zinc/37/77/58/554377758.db2.gz RGIIVRQJPZIKDD-DEOSSOPVSA-N 1 2 528.569 3.546 50 0 biogenic KHAALO COc1ccc(C)cc1NC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000059101624 554377811 /nfs/dbraw/zinc/37/78/11/554377811.db2.gz RGIIVRQJPZIKDD-XMMPIXPASA-N 1 2 528.569 3.546 50 0 biogenic KHAALO COc1ccc(C)cc1NC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000059101624 554377810 /nfs/dbraw/zinc/37/78/10/554377810.db2.gz RGIIVRQJPZIKDD-XMMPIXPASA-N 1 2 528.569 3.546 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101857 554377971 /nfs/dbraw/zinc/37/79/71/554377971.db2.gz DIIKTZBMELNFSC-AREMUKBSSA-N 1 2 588.068 3.593 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101857 554377966 /nfs/dbraw/zinc/37/79/66/554377966.db2.gz DIIKTZBMELNFSC-AREMUKBSSA-N 1 2 588.068 3.593 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101859 554377995 /nfs/dbraw/zinc/37/79/95/554377995.db2.gz DIIKTZBMELNFSC-SANMLTNESA-N 1 2 588.068 3.593 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101859 554377992 /nfs/dbraw/zinc/37/79/92/554377992.db2.gz DIIKTZBMELNFSC-SANMLTNESA-N 1 2 588.068 3.593 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101862 554378046 /nfs/dbraw/zinc/37/80/46/554378046.db2.gz NGVRHYNIOCKZEI-NDEPHWFRSA-N 1 2 581.677 3.556 50 0 biogenic KHAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101862 554378043 /nfs/dbraw/zinc/37/80/43/554378043.db2.gz NGVRHYNIOCKZEI-NDEPHWFRSA-N 1 2 581.677 3.556 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101864 554378011 /nfs/dbraw/zinc/37/80/11/554378011.db2.gz NGVRHYNIOCKZEI-MUUNZHRXSA-N 1 2 581.677 3.556 50 0 biogenic KHAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101864 554378009 /nfs/dbraw/zinc/37/80/09/554378009.db2.gz NGVRHYNIOCKZEI-MUUNZHRXSA-N 1 2 581.677 3.556 50 0 biogenic KHAALO CCOc1ccc(NC(=O)c2cccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)c2)cc1 ZINC000059101925 554378177 /nfs/dbraw/zinc/37/81/77/554378177.db2.gz WESMEHXDQXJHEJ-DEOSSOPVSA-N 1 2 528.569 3.628 50 0 biogenic KHAALO CCOc1ccc(NC(=O)c2cccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)c2)cc1 ZINC000059101925 554378173 /nfs/dbraw/zinc/37/81/73/554378173.db2.gz WESMEHXDQXJHEJ-DEOSSOPVSA-N 1 2 528.569 3.628 50 0 biogenic KHAALO CCOc1ccc(NC(=O)c2cccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)c2)cc1 ZINC000059101926 554377955 /nfs/dbraw/zinc/37/79/55/554377955.db2.gz WESMEHXDQXJHEJ-XMMPIXPASA-N 1 2 528.569 3.628 50 0 biogenic KHAALO CCOc1ccc(NC(=O)c2cccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)c2)cc1 ZINC000059101926 554377950 /nfs/dbraw/zinc/37/79/50/554377950.db2.gz WESMEHXDQXJHEJ-XMMPIXPASA-N 1 2 528.569 3.628 50 0 biogenic KHAALO COc1cc(Br)cc2cc(C(=O)N3CC[NH+](CCN4C(=O)c5cccc6cccc(c65)C4=O)CC3)c(=O)oc21 ZINC000059222260 554385847 /nfs/dbraw/zinc/38/58/47/554385847.db2.gz YSQPNOUIZZEFAH-UHFFFAOYSA-N 1 2 590.430 3.771 50 0 KHAALO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059503755 554399824 /nfs/dbraw/zinc/39/98/24/554399824.db2.gz UFSUYQWIZGAFFU-NRFANRHFSA-N 1 2 548.528 3.745 50 0 KHAALO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059503756 554399832 /nfs/dbraw/zinc/39/98/32/554399832.db2.gz UFSUYQWIZGAFFU-OAQYLSRUSA-N 1 2 548.528 3.745 50 0 KHAALO CCN(CC)C(=O)c1sc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C(=O)OC)c1C ZINC000059603177 554409727 /nfs/dbraw/zinc/40/97/27/554409727.db2.gz DRUBZZNSRIXZTK-UHFFFAOYSA-N 1 2 532.688 3.568 50 0 KHAALO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059620593 554413976 /nfs/dbraw/zinc/41/39/76/554413976.db2.gz HRJKQAAIBGSTEE-UHFFFAOYSA-N 1 2 544.029 3.593 50 0 KHAALO CN(c1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059620745 554414261 /nfs/dbraw/zinc/41/42/61/554414261.db2.gz FMRKWDJKWGWFGP-UHFFFAOYSA-N 1 2 528.030 3.852 50 0 KHAALO O=C1C[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000059641201 554416772 /nfs/dbraw/zinc/41/67/72/554416772.db2.gz RYKOVJQPPQESAN-SFHVURJKSA-N 1 2 529.300 3.764 50 0 KHAALO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccc(Cl)cc2)cc1 ZINC000059651361 554418341 /nfs/dbraw/zinc/41/83/41/554418341.db2.gz DBRYDPCXCSRSEE-UHFFFAOYSA-N 1 2 558.056 3.617 50 0 KHAALO O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059651535 554418537 /nfs/dbraw/zinc/41/85/37/554418537.db2.gz HZIUQLJVRXPADE-UHFFFAOYSA-N 1 2 528.030 3.608 50 0 KHAALO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059651806 554419021 /nfs/dbraw/zinc/41/90/21/554419021.db2.gz WKGKAJKLCIZYJR-UHFFFAOYSA-N 1 2 528.030 3.608 50 0 KHAALO COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000059732050 554427064 /nfs/dbraw/zinc/42/70/64/554427064.db2.gz XUOQXQCRWLCFHH-UHFFFAOYSA-N 1 2 586.670 3.602 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)c1cc(I)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000059766030 554428509 /nfs/dbraw/zinc/42/85/09/554428509.db2.gz RQYUHTLEEFNPDJ-UHFFFAOYSA-N 1 2 548.208 3.912 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)c1cc(I)ccc1NC(=O)c1cccc2ccccc21 ZINC000059771875 554428680 /nfs/dbraw/zinc/42/86/80/554428680.db2.gz ZIYMRSPVLJFQMP-UHFFFAOYSA-N 1 2 529.378 3.759 50 0 KHAALO O=C(c1cc2cc(Br)ccc2oc1=O)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000059873959 554456624 /nfs/dbraw/zinc/45/66/24/554456624.db2.gz ISEQUZDLJCSFHL-UHFFFAOYSA-N 1 2 560.404 3.763 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000060180094 554502407 /nfs/dbraw/zinc/50/24/07/554502407.db2.gz HGMLGDJPOQOHFT-KMRXNPHXSA-N 1 2 566.724 3.501 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000060180095 554502483 /nfs/dbraw/zinc/50/24/83/554502483.db2.gz HGMLGDJPOQOHFT-PIKZIKFNSA-N 1 2 566.724 3.501 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000060180096 554502413 /nfs/dbraw/zinc/50/24/13/554502413.db2.gz HGMLGDJPOQOHFT-RBTNQOKQSA-N 1 2 566.724 3.501 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000060180097 554502444 /nfs/dbraw/zinc/50/24/44/554502444.db2.gz HGMLGDJPOQOHFT-LYZGTLIUSA-N 1 2 566.724 3.501 50 0 KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000061925465 554505863 /nfs/dbraw/zinc/50/58/63/554505863.db2.gz YCAOJENIDDZZCH-HNNXBMFYSA-N 1 2 515.408 3.875 50 0 KHAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000061925465 554505859 /nfs/dbraw/zinc/50/58/59/554505859.db2.gz YCAOJENIDDZZCH-HNNXBMFYSA-N 1 2 515.408 3.875 50 0 KHAALO COC(=O)c1ccc2c(c1)nc(CSc1nnc(C[NH+]3CCCCC3)n1-c1ccc(F)cc1)[nH]c2=O ZINC000062563981 554506859 /nfs/dbraw/zinc/50/68/59/554506859.db2.gz YMAZVKMZVFKKLU-UHFFFAOYSA-N 1 2 508.579 3.708 50 0 KHAALO CC(C)Cn1cc(C(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)c2c3ccccc3n(C)c2c1=O ZINC000063448247 554508944 /nfs/dbraw/zinc/50/89/44/554508944.db2.gz WMILKIGEMIGHDL-UHFFFAOYSA-N 1 2 503.622 3.840 50 0 KHAALO Cc1oc(-c2cccc(C)c2)nc1C[S@@](=O)CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063481311 554509355 /nfs/dbraw/zinc/50/93/55/554509355.db2.gz UHLJEZDNRUXJHD-DHUJRADRSA-N 1 2 515.079 3.799 50 0 KHAALO Cc1oc(-c2cccc(C)c2)nc1C[S@](=O)CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063481312 554509312 /nfs/dbraw/zinc/50/93/12/554509312.db2.gz UHLJEZDNRUXJHD-PGUFJCEWSA-N 1 2 515.079 3.799 50 0 KHAALO Cc1oc(-c2ccccc2C)nc1C[S@@](=O)CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063481315 554509330 /nfs/dbraw/zinc/50/93/30/554509330.db2.gz UJSZADWEMCWETG-DHUJRADRSA-N 1 2 515.079 3.799 50 0 KHAALO Cc1oc(-c2ccccc2C)nc1C[S@](=O)CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063481317 554509324 /nfs/dbraw/zinc/50/93/24/554509324.db2.gz UJSZADWEMCWETG-PGUFJCEWSA-N 1 2 515.079 3.799 50 0 KHAALO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1 ZINC000063513572 554509652 /nfs/dbraw/zinc/50/96/52/554509652.db2.gz ZTVMXPPOEHYFEP-UHFFFAOYSA-N 1 2 500.068 3.647 50 0 KHAALO COc1ccc(-n2cc(C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)cc1 ZINC000063547513 554509695 /nfs/dbraw/zinc/50/96/95/554509695.db2.gz JIAPHDUINTZKEM-UHFFFAOYSA-N 1 2 500.574 3.690 50 0 KHAALO COc1ccccc1N1CCN(C(=O)[C@H](C)[NH+]2CCN(c3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000063598642 554509939 /nfs/dbraw/zinc/50/99/39/554509939.db2.gz CTBNCYSQMNBVJZ-SFHVURJKSA-N 1 2 500.068 3.818 50 0 KHAALO CCOc1cc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC ZINC000064158093 554510811 /nfs/dbraw/zinc/51/08/11/554510811.db2.gz KMBOZISKQBCPEE-RPBOFIJWSA-N 1 2 512.614 3.802 50 0 KHAALO CCOc1cc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC ZINC000064158093 554510808 /nfs/dbraw/zinc/51/08/08/554510808.db2.gz KMBOZISKQBCPEE-RPBOFIJWSA-N 1 2 512.614 3.802 50 0 KHAALO CCN(CC)S(=O)(=O)c1cc2c(cc1N1CCN(c3cccc[nH+]3)CC1)Oc1ccccc1NC2=O ZINC000064986626 554523790 /nfs/dbraw/zinc/52/37/90/554523790.db2.gz YLLMUWANABKLHQ-UHFFFAOYSA-N 1 2 507.616 3.797 50 0 KHAALO Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCCC3)c(N3CCN(c4cccc[nH+]4)CC3)cc1O2 ZINC000064986742 554524165 /nfs/dbraw/zinc/52/41/65/554524165.db2.gz BQDQHOGRRNYGIF-UHFFFAOYSA-N 1 2 519.627 3.859 50 0 KHAALO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCC[NH+]5CCOCC5)CC4)ccc3o2)cc1 ZINC000065006101 554524447 /nfs/dbraw/zinc/52/44/47/554524447.db2.gz COJQLVYRKOQCEV-OAQYLSRUSA-N 1 2 504.631 3.740 50 0 KHAALO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCC[NH+]5CCOCC5)CC4)ccc3o2)cc1 ZINC000065006103 554524371 /nfs/dbraw/zinc/52/43/71/554524371.db2.gz COJQLVYRKOQCEV-NRFANRHFSA-N 1 2 504.631 3.740 50 0 KHAALO CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000066156396 554529418 /nfs/dbraw/zinc/52/94/18/554529418.db2.gz ZOPCMQQOEBIFJA-UHFFFAOYSA-N 1 2 551.665 3.906 50 0 KHAALO CCOc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000070669822 553598938 /nfs/dbraw/zinc/59/89/38/553598938.db2.gz FFXRJMBKRMFLEQ-SQJKUQPUSA-N 1 2 568.674 3.741 50 0 biogenic KHAALO CCOc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000070669822 553598934 /nfs/dbraw/zinc/59/89/34/553598934.db2.gz FFXRJMBKRMFLEQ-SQJKUQPUSA-N 1 2 568.674 3.741 50 0 biogenic KHAALO COc1ccc2c(c1)[C@@H]1CN(C(=O)C[N@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@@H]1N2 ZINC000070672904 553603037 /nfs/dbraw/zinc/60/30/37/553603037.db2.gz RQHUJPUEXQLHJP-ZXRKZBAXSA-N 1 2 536.632 3.701 50 0 biogenic KHAALO COc1ccc2c(c1)[C@@H]1CN(C(=O)C[N@@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@@H]1N2 ZINC000070672904 553603035 /nfs/dbraw/zinc/60/30/35/553603035.db2.gz RQHUJPUEXQLHJP-ZXRKZBAXSA-N 1 2 536.632 3.701 50 0 biogenic KHAALO COc1ccc2c(c1)[C@@H]1CN(C(=O)C[N@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@H]1N2 ZINC000070672911 553603075 /nfs/dbraw/zinc/60/30/75/553603075.db2.gz RQHUJPUEXQLHJP-MKYKQAKUSA-N 1 2 536.632 3.701 50 0 biogenic KHAALO COc1ccc2c(c1)[C@@H]1CN(C(=O)C[N@@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@H]1N2 ZINC000070672911 553603072 /nfs/dbraw/zinc/60/30/72/553603072.db2.gz RQHUJPUEXQLHJP-MKYKQAKUSA-N 1 2 536.632 3.701 50 0 biogenic KHAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCc3c[nH+]c(C)c(N)c3OC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070673872 553604050 /nfs/dbraw/zinc/60/40/50/553604050.db2.gz DSTNQGFRWGLCRL-NRFANRHFSA-N 1 2 534.613 3.769 50 0 biogenic KHAALO COc1cc2c(c(OC)c1OC)-c1ccc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070700944 553619969 /nfs/dbraw/zinc/61/99/69/553619969.db2.gz RXAQJUUQTSZYFU-VWLOTQADSA-N 1 2 587.673 3.914 50 0 biogenic KHAALO C[C@H](C[NH3+])CC[C@@]1(c2c(O)n(C)c(=O)n(C)c2=O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C ZINC000070704605 553623245 /nfs/dbraw/zinc/62/32/45/553623245.db2.gz AETOFVLWNRPAPR-QWOJSCRWSA-N 1 2 569.787 3.945 50 0 biogenic KHAALO C[C@H](C[NH3+])CC[C@]1(c2c(O)n(C)c(=O)n(C)c2=O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C ZINC000070704609 553623197 /nfs/dbraw/zinc/62/31/97/553623197.db2.gz AETOFVLWNRPAPR-YKVKDPKBSA-N 1 2 569.787 3.945 50 0 biogenic KHAALO COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCC[NH+]5CCOCC5)cc4)C(=O)N32)c1 ZINC000070707303 553630450 /nfs/dbraw/zinc/63/04/50/553630450.db2.gz OSUNTCZVGXXOHW-MFMCTBQISA-N 1 2 579.657 3.721 50 0 biogenic KHAALO COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCC[NH+]5CCOCC5)cc4)C(=O)N32)c1 ZINC000070707309 553630426 /nfs/dbraw/zinc/63/04/26/553630426.db2.gz OSUNTCZVGXXOHW-JDXGNMNLSA-N 1 2 579.657 3.721 50 0 biogenic KHAALO CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712298 553633922 /nfs/dbraw/zinc/63/39/22/553633922.db2.gz WYTBNTYMOWVVMI-RXWXGCHASA-N 1 2 532.600 3.969 50 0 biogenic KHAALO CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712299 553634020 /nfs/dbraw/zinc/63/40/20/553634020.db2.gz WYTBNTYMOWVVMI-HICLHYEGSA-N 1 2 532.600 3.969 50 0 biogenic KHAALO CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712301 553634061 /nfs/dbraw/zinc/63/40/61/553634061.db2.gz WYTBNTYMOWVVMI-YZBPACDBSA-N 1 2 532.600 3.969 50 0 biogenic KHAALO CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712303 553634050 /nfs/dbraw/zinc/63/40/50/553634050.db2.gz WYTBNTYMOWVVMI-DXHIYDNGSA-N 1 2 532.600 3.969 50 0 biogenic KHAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)CS[C@@H]3CCS(=O)(=O)C3)c2cc1OC ZINC000071418213 553636078 /nfs/dbraw/zinc/63/60/78/553636078.db2.gz ZHRUQGSDRAEIQM-GOSISDBHSA-N 1 2 546.667 3.719 50 0 biogenic,in-vitro KHAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)CS[C@H]3CCS(=O)(=O)C3)c2cc1OC ZINC000071418214 553636096 /nfs/dbraw/zinc/63/60/96/553636096.db2.gz ZHRUQGSDRAEIQM-SFHVURJKSA-N 1 2 546.667 3.719 50 0 biogenic,in-vitro KHAALO COc1ccc(S(=O)(=O)c2cnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2N)cc1 ZINC000071772053 553636747 /nfs/dbraw/zinc/63/67/47/553636747.db2.gz NMCGCIKGVZYOMO-UHFFFAOYSA-N 1 2 515.639 3.812 50 0 KHAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000072104557 553640345 /nfs/dbraw/zinc/64/03/45/553640345.db2.gz HXXBBHLJCGHXGD-LJQANCHMSA-N 1 2 532.515 3.645 50 0 KHAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000072104558 553640408 /nfs/dbraw/zinc/64/04/08/553640408.db2.gz HXXBBHLJCGHXGD-IBGZPJMESA-N 1 2 532.515 3.645 50 0 KHAALO COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[NH+](Cc4cc(OC)ccc4OC)CC3)c2)cc1 ZINC000072136660 553644326 /nfs/dbraw/zinc/64/43/26/553644326.db2.gz SXACLVHREFFFMG-UHFFFAOYSA-N 1 2 539.654 3.780 50 0 KHAALO O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000085875721 553688408 /nfs/dbraw/zinc/68/84/08/553688408.db2.gz JBJUTMJXFCPNJR-UHFFFAOYSA-N 1 2 518.621 3.704 50 0 biogenic KHAALO O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CC[NH+](Cc2cccnc2)CC1 ZINC000085876197 553688434 /nfs/dbraw/zinc/68/84/34/553688434.db2.gz QOEKAKSPTOJGPN-UHFFFAOYSA-N 1 2 518.621 3.704 50 0 biogenic KHAALO C[NH+]1CCN(C(=O)C[C@@H](c2cccc(O)c2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000096114965 553725421 /nfs/dbraw/zinc/72/54/21/553725421.db2.gz OFWSQTIKUYYJOW-NRFANRHFSA-N 1 2 500.551 3.873 50 0 biogenic KHAALO C[NH+]1CCN(C(=O)C[C@H](c2cccc(O)c2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000096114966 553725370 /nfs/dbraw/zinc/72/53/70/553725370.db2.gz OFWSQTIKUYYJOW-OAQYLSRUSA-N 1 2 500.551 3.873 50 0 biogenic KHAALO C[NH+]1CCN(C(=O)C[C@@H](c2ccc(O)cc2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000096222478 553730804 /nfs/dbraw/zinc/73/08/04/553730804.db2.gz GMHSJGFXROZDRP-NRFANRHFSA-N 1 2 500.551 3.873 50 0 biogenic KHAALO C[NH+]1CCN(C(=O)C[C@H](c2ccc(O)cc2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000096222480 553731259 /nfs/dbraw/zinc/73/12/59/553731259.db2.gz GMHSJGFXROZDRP-OAQYLSRUSA-N 1 2 500.551 3.873 50 0 biogenic KHAALO CCCn1c(C(=O)NCC[NH+]2CCOCC2)cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000096277671 553734331 /nfs/dbraw/zinc/73/43/31/553734331.db2.gz PKTKAUONPFGEKC-UHFFFAOYSA-N 1 2 505.040 3.568 50 0 KHAALO CCn1c(C(=O)NCC[NH+]2CCOCC2)cc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000096277680 553734590 /nfs/dbraw/zinc/73/45/90/553734590.db2.gz RKLXBGQAAAWVGF-UHFFFAOYSA-N 1 2 512.676 3.822 50 0 KHAALO CCN(C)c1nc(N2CCN(c3ccc(C)cc3)CC2)[nH+]c2c1CN(C(=O)c1ccccc1OC)CC2 ZINC000096280923 553736858 /nfs/dbraw/zinc/73/68/58/553736858.db2.gz LATJERIBCJNEJE-UHFFFAOYSA-N 1 2 500.647 3.775 50 0 KHAALO COc1ccccc1C(=O)N1CCc2[nH+]c(N3CCN(c4ccccc4)CC3)nc(N(C)C(C)C)c2C1 ZINC000096280939 553737137 /nfs/dbraw/zinc/73/71/37/553737137.db2.gz BYMGFQVLFQHZJZ-UHFFFAOYSA-N 1 2 500.647 3.855 50 0 KHAALO CCc1cc(C(=O)OC)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2CCC[NH+]2CCOCC2)s1 ZINC000097948340 553793143 /nfs/dbraw/zinc/79/31/43/553793143.db2.gz BEYXONGTXAJYFQ-UHFFFAOYSA-N 1 2 564.755 3.938 50 0 KHAALO COC(=O)c1c2c(sc1NC(=O)CSc1nc3sc(C)c(C)c3c(=O)n1CCC[NH+]1CCOCC1)CCC2 ZINC000097948515 553794379 /nfs/dbraw/zinc/79/43/79/553794379.db2.gz OBKSEORTJDWHNU-UHFFFAOYSA-N 1 2 576.766 3.865 50 0 KHAALO Cc1c2c(=O)n(-c3nc4ccccc4s3)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc(=O)n1CC[NH+]1CCOCC1 ZINC000097948707 553796017 /nfs/dbraw/zinc/79/60/17/553796017.db2.gz QKTWOCQUEKKHMX-UHFFFAOYSA-N 1 2 597.072 3.635 50 0 KHAALO O=C(NCC[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000097951717 553810912 /nfs/dbraw/zinc/81/09/12/553810912.db2.gz NLFUERKMHZOESP-UHFFFAOYSA-N 1 2 514.251 3.628 50 0 KHAALO CNC(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)c3ccccc32)cc1 ZINC000097951739 553810813 /nfs/dbraw/zinc/81/08/13/553810813.db2.gz OHAATYSEBWEFMH-UHFFFAOYSA-N 1 2 530.654 3.645 50 0 KHAALO COc1ccccc1NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[N@H+](C)C3 ZINC000097954081 553821360 /nfs/dbraw/zinc/82/13/60/553821360.db2.gz CCQOZWPOCPSIRD-UHFFFAOYSA-N 1 2 532.651 3.822 50 0 KHAALO COc1ccccc1NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[N@@H+](C)C3 ZINC000097954081 553821358 /nfs/dbraw/zinc/82/13/58/553821358.db2.gz CCQOZWPOCPSIRD-UHFFFAOYSA-N 1 2 532.651 3.822 50 0 KHAALO COc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@H+](C)C4)cc1 ZINC000097954188 553821872 /nfs/dbraw/zinc/82/18/72/553821872.db2.gz FDWBXNKYGLVDHN-UHFFFAOYSA-N 1 2 532.651 3.822 50 0 KHAALO COc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@@H+](C)C4)cc1 ZINC000097954188 553821869 /nfs/dbraw/zinc/82/18/69/553821869.db2.gz FDWBXNKYGLVDHN-UHFFFAOYSA-N 1 2 532.651 3.822 50 0 KHAALO COc1cccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@H+](C)C4)c1 ZINC000097954799 553825362 /nfs/dbraw/zinc/82/53/62/553825362.db2.gz OGUGKBZYOIFLFM-UHFFFAOYSA-N 1 2 532.651 3.822 50 0 KHAALO COc1cccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC[N@@H+](C)C4)c1 ZINC000097954799 553825360 /nfs/dbraw/zinc/82/53/60/553825360.db2.gz OGUGKBZYOIFLFM-UHFFFAOYSA-N 1 2 532.651 3.822 50 0 KHAALO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000097955522 553830969 /nfs/dbraw/zinc/83/09/69/553830969.db2.gz CIKZDMFHNRQNSB-BYUVYSIJSA-N 1 2 535.670 3.606 50 0 KHAALO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000097955523 553830926 /nfs/dbraw/zinc/83/09/26/553830926.db2.gz CIKZDMFHNRQNSB-JHUUHBRDSA-N 1 2 535.670 3.606 50 0 KHAALO O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000097956326 553837741 /nfs/dbraw/zinc/83/77/41/553837741.db2.gz CGEJOWJMBACBPF-PLRJNAJWSA-N 1 2 555.100 3.667 50 0 KHAALO O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000097956326 553837740 /nfs/dbraw/zinc/83/77/40/553837740.db2.gz CGEJOWJMBACBPF-PLRJNAJWSA-N 1 2 555.100 3.667 50 0 KHAALO CC[NH+]1CCN(C(=O)c2ccc(Cn3c4ccccc4s/c3=N\C(=O)c3ccc(OC)c(OC)c3)o2)CC1 ZINC000097956414 553838768 /nfs/dbraw/zinc/83/87/68/553838768.db2.gz CYUISHFBAXKWKX-ZIADKAODSA-N 1 2 534.638 3.880 50 0 KHAALO O=C1NC(=O)[C@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956759 553841520 /nfs/dbraw/zinc/84/15/20/553841520.db2.gz LZYQCGGBEZLGIB-VAVYLYDRSA-N 1 2 528.540 3.911 50 0 KHAALO O=C1NC(=O)[C@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956759 553841517 /nfs/dbraw/zinc/84/15/17/553841517.db2.gz LZYQCGGBEZLGIB-VAVYLYDRSA-N 1 2 528.540 3.911 50 0 KHAALO O=C1NC(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956760 553841491 /nfs/dbraw/zinc/84/14/91/553841491.db2.gz LZYQCGGBEZLGIB-IRPSRAIASA-N 1 2 528.540 3.911 50 0 KHAALO O=C1NC(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956760 553841489 /nfs/dbraw/zinc/84/14/89/553841489.db2.gz LZYQCGGBEZLGIB-IRPSRAIASA-N 1 2 528.540 3.911 50 0 KHAALO O=C1NC(=O)[C@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956761 553841546 /nfs/dbraw/zinc/84/15/46/553841546.db2.gz LZYQCGGBEZLGIB-ABYGYWHVSA-N 1 2 528.540 3.911 50 0 KHAALO O=C1NC(=O)[C@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956761 553841543 /nfs/dbraw/zinc/84/15/43/553841543.db2.gz LZYQCGGBEZLGIB-ABYGYWHVSA-N 1 2 528.540 3.911 50 0 KHAALO O=C1NC(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956762 553841535 /nfs/dbraw/zinc/84/15/35/553841535.db2.gz LZYQCGGBEZLGIB-SVEHJYQDSA-N 1 2 528.540 3.911 50 0 KHAALO O=C1NC(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000097956762 553841531 /nfs/dbraw/zinc/84/15/31/553841531.db2.gz LZYQCGGBEZLGIB-SVEHJYQDSA-N 1 2 528.540 3.911 50 0 KHAALO O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000097961214 553876036 /nfs/dbraw/zinc/87/60/36/553876036.db2.gz FFPWLYGYRJUROC-UHFFFAOYSA-N 1 2 574.637 3.810 50 0 KHAALO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CC[N@H+](Cc3ccccc3)C4)cc2)CC1 ZINC000097963449 553890220 /nfs/dbraw/zinc/89/02/20/553890220.db2.gz DCFBOVLFCMTCLC-UHFFFAOYSA-N 1 2 626.757 3.808 50 0 KHAALO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CC[N@@H+](Cc3ccccc3)C4)cc2)CC1 ZINC000097963449 553890217 /nfs/dbraw/zinc/89/02/17/553890217.db2.gz DCFBOVLFCMTCLC-UHFFFAOYSA-N 1 2 626.757 3.808 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963463 553890667 /nfs/dbraw/zinc/89/06/67/553890667.db2.gz RJYBSYQGOJOTLZ-UHFFFAOYSA-N 1 2 569.705 3.756 50 0 KHAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963463 553890661 /nfs/dbraw/zinc/89/06/61/553890661.db2.gz RJYBSYQGOJOTLZ-UHFFFAOYSA-N 1 2 569.705 3.756 50 0 KHAALO NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963478 553890628 /nfs/dbraw/zinc/89/06/28/553890628.db2.gz QMEBQBJTRYSGSH-UHFFFAOYSA-N 1 2 538.695 3.832 50 0 KHAALO NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963478 553890625 /nfs/dbraw/zinc/89/06/25/553890625.db2.gz QMEBQBJTRYSGSH-UHFFFAOYSA-N 1 2 538.695 3.832 50 0 KHAALO COc1cc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCCO2 ZINC000097971859 553963566 /nfs/dbraw/zinc/96/35/66/553963566.db2.gz ZEJDJMCHWAOSTK-NRFANRHFSA-N 1 2 572.614 3.947 50 0 biogenic KHAALO COc1cc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCCO2 ZINC000097971860 553963686 /nfs/dbraw/zinc/96/36/86/553963686.db2.gz ZEJDJMCHWAOSTK-OAQYLSRUSA-N 1 2 572.614 3.947 50 0 biogenic KHAALO COc1cc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971880 553963513 /nfs/dbraw/zinc/96/35/13/553963513.db2.gz KSFLTEQSOXQOMK-FQEVSTJZSA-N 1 2 558.587 3.905 50 0 biogenic KHAALO COc1cc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000097971881 553963419 /nfs/dbraw/zinc/96/34/19/553963419.db2.gz KSFLTEQSOXQOMK-HXUWFJFHSA-N 1 2 558.587 3.905 50 0 biogenic KHAALO COc1cc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)ccc1O ZINC000097971894 553964013 /nfs/dbraw/zinc/96/40/13/553964013.db2.gz HQEKLKHBALNHGG-FQEVSTJZSA-N 1 2 530.577 3.881 50 0 biogenic KHAALO COc1cc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)ccc1O ZINC000097971895 553963900 /nfs/dbraw/zinc/96/39/00/553963900.db2.gz HQEKLKHBALNHGG-HXUWFJFHSA-N 1 2 530.577 3.881 50 0 biogenic KHAALO COc1ccc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)cc1O ZINC000097971987 553965082 /nfs/dbraw/zinc/96/50/82/553965082.db2.gz LPZNSAKESXBWDU-FQEVSTJZSA-N 1 2 530.577 3.881 50 0 biogenic KHAALO COc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)cc1O ZINC000097971988 553964833 /nfs/dbraw/zinc/96/48/33/553964833.db2.gz LPZNSAKESXBWDU-HXUWFJFHSA-N 1 2 530.577 3.881 50 0 biogenic KHAALO C[NH+]1CCN(C(=O)C[C@@H](c2ccc3c(c2)OCO3)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000097972055 553965712 /nfs/dbraw/zinc/96/57/12/553965712.db2.gz OFLKMXGDNUJBEQ-FQEVSTJZSA-N 1 2 528.561 3.896 50 0 biogenic KHAALO C[NH+]1CCN(C(=O)C[C@H](c2ccc3c(c2)OCO3)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000097972056 553965634 /nfs/dbraw/zinc/96/56/34/553965634.db2.gz OFLKMXGDNUJBEQ-HXUWFJFHSA-N 1 2 528.561 3.896 50 0 biogenic KHAALO COc1cc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097972070 553965571 /nfs/dbraw/zinc/96/55/71/553965571.db2.gz KOQDBNLJBZSLLJ-FQEVSTJZSA-N 1 2 560.603 3.890 50 0 biogenic KHAALO COc1cc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000097972071 553965744 /nfs/dbraw/zinc/96/57/44/553965744.db2.gz KOQDBNLJBZSLLJ-HXUWFJFHSA-N 1 2 560.603 3.890 50 0 biogenic KHAALO CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)cc(S(C)(=O)=O)c3-n3cc[nH+]c3)sc2c1 ZINC000097977247 553975174 /nfs/dbraw/zinc/97/51/74/553975174.db2.gz QLRCDMVIJSKNGH-UHFFFAOYSA-N 1 2 534.417 3.859 50 0 KHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000097979176 553976873 /nfs/dbraw/zinc/97/68/73/553976873.db2.gz OIPPGCJJWXTLLX-NDENLUEZSA-N 1 2 534.598 3.899 50 0 KHAALO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000097985354 554023151 /nfs/dbraw/zinc/02/31/51/554023151.db2.gz PSYIKOQIHXORGO-IBGZPJMESA-N 1 2 574.422 3.534 50 0 KHAALO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000097985355 554023189 /nfs/dbraw/zinc/02/31/89/554023189.db2.gz PSYIKOQIHXORGO-LJQANCHMSA-N 1 2 574.422 3.534 50 0 KHAALO CCOC(=O)c1c(NC(=O)CN2CC[NH+](CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)sc2c1CCCC2 ZINC000097986466 554024261 /nfs/dbraw/zinc/02/42/61/554024261.db2.gz JZZAGZZEKOHQNT-UHFFFAOYSA-N 1 2 574.703 3.809 50 0 KHAALO COc1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000097994488 554032074 /nfs/dbraw/zinc/03/20/74/554032074.db2.gz TZYAPVNAZFINLH-UHFFFAOYSA-N 1 2 534.510 3.856 50 0 KHAALO Cc1c(Cl)cccc1N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccccc1 ZINC000097995539 554035910 /nfs/dbraw/zinc/03/59/10/554035910.db2.gz CMUIKAOFMQCLII-UHFFFAOYSA-N 1 2 542.057 3.917 50 0 KHAALO CNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)c3ccccc32)ccc1OC ZINC000098000102 554048422 /nfs/dbraw/zinc/04/84/22/554048422.db2.gz KSWZCHBJGAKUDX-UHFFFAOYSA-N 1 2 560.680 3.653 50 0 KHAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)c2cc1OC ZINC000098000315 554050247 /nfs/dbraw/zinc/05/02/47/554050247.db2.gz UXTPRMUQZDVMHR-UHFFFAOYSA-N 1 2 565.604 3.992 50 0 KHAALO CC[N@@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O)c1cccc(C)c1 ZINC000098009134 554069399 /nfs/dbraw/zinc/06/93/99/554069399.db2.gz VUUYIBNYIJTQPS-UHFFFAOYSA-N 1 2 559.758 3.528 50 0 KHAALO CC[N@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O)c1cccc(C)c1 ZINC000098009134 554069395 /nfs/dbraw/zinc/06/93/95/554069395.db2.gz VUUYIBNYIJTQPS-UHFFFAOYSA-N 1 2 559.758 3.528 50 0 KHAALO COc1cccc(CSc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2C(=O)N2CCC(C)CC2)c1OC ZINC000098009710 554070455 /nfs/dbraw/zinc/07/04/55/554070455.db2.gz FEMRTLCQKMGJJS-UHFFFAOYSA-N 1 2 547.743 3.804 50 0 KHAALO CC[NH+]1CCN(C2=C(c3c(=O)n(-c4ccccc4)[nH]c3-c3ccccc3)C(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000098012486 554091274 /nfs/dbraw/zinc/09/12/74/554091274.db2.gz BYQZZMPRXAJZSM-UHFFFAOYSA-N 1 2 563.614 3.896 50 0 KHAALO COc1ccc(N2C(=O)C(c3c(=O)n(-c4ccc(Cl)cc4)[nH]c3C(C)C)=C(N3CC[NH+](C)CC3)C2=O)cc1 ZINC000098012491 554091258 /nfs/dbraw/zinc/09/12/58/554091258.db2.gz IXYXVAHJYULOHJ-UHFFFAOYSA-N 1 2 536.032 3.895 50 0 KHAALO COc1ccc(N2C(=O)C(c3c(=O)n(-c4ccc(Cl)cc4)[nH]c3C(C)C)=C(N3CC[NH+](C)CC3)C2=O)c(OC)c1 ZINC000098012492 554091183 /nfs/dbraw/zinc/09/11/83/554091183.db2.gz OECAYKWSLDTUSR-UHFFFAOYSA-N 1 2 566.058 3.904 50 0 KHAALO CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)[nH+]1 ZINC000098015005 554094841 /nfs/dbraw/zinc/09/48/41/554094841.db2.gz ALFKOEKAUWWROL-UHFFFAOYSA-N 1 2 533.654 3.659 50 0 KHAALO CCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)o2)n1 ZINC000098015028 554095128 /nfs/dbraw/zinc/09/51/28/554095128.db2.gz GTILDLRKCXOVDH-UHFFFAOYSA-N 1 2 548.713 3.551 50 0 KHAALO CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)[nH+]1 ZINC000098015055 554095208 /nfs/dbraw/zinc/09/52/08/554095208.db2.gz WIZIQXVUFJMLIV-UHFFFAOYSA-N 1 2 533.654 3.659 50 0 KHAALO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)n1 ZINC000098015142 554096209 /nfs/dbraw/zinc/09/62/09/554096209.db2.gz HFFXTLAWXBOYJU-NRFANRHFSA-N 1 2 551.669 3.630 50 0 KHAALO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)n1 ZINC000098015143 554096217 /nfs/dbraw/zinc/09/62/17/554096217.db2.gz HFFXTLAWXBOYJU-OAQYLSRUSA-N 1 2 551.669 3.630 50 0 KHAALO CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(N4CCN(c5ccccc5Cl)CC4)cc(C)[nH+]3)o2)CC1 ZINC000098015145 554096204 /nfs/dbraw/zinc/09/62/04/554096204.db2.gz QFMJUDZLAHGTCV-UHFFFAOYSA-N 1 2 555.104 3.955 50 0 KHAALO COCc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC(C)C)o2)n1 ZINC000098015179 554096588 /nfs/dbraw/zinc/09/65/88/554096588.db2.gz HNODXVMGEZEEMO-UHFFFAOYSA-N 1 2 539.658 3.697 50 0 KHAALO COCc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)o2)n1 ZINC000098015181 554096453 /nfs/dbraw/zinc/09/64/53/554096453.db2.gz CPKFXIBMUMCEDP-UHFFFAOYSA-N 1 2 588.690 3.884 50 0 KHAALO COCc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)N3CCCC3)o2)n1 ZINC000098015184 554096479 /nfs/dbraw/zinc/09/64/79/554096479.db2.gz QNZUMQOGBZHAOR-UHFFFAOYSA-N 1 2 551.669 3.795 50 0 KHAALO Cc1nc(SCc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000098015331 554098122 /nfs/dbraw/zinc/09/81/22/554098122.db2.gz CPLCHQZSYIHZQD-UHFFFAOYSA-N 1 2 564.731 3.913 50 0 KHAALO COc1ccc(-n2ncc(Oc3cccc(OC)c3)c(Nc3cccc(C(=O)NCC[NH+]4CCOCC4)c3)c2=O)cc1 ZINC000098015394 554098757 /nfs/dbraw/zinc/09/87/57/554098757.db2.gz JYAOAPSCNSWHSL-UHFFFAOYSA-N 1 2 571.634 3.848 50 0 KHAALO Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3cccc(C(=O)NCC[NH+]4CCOCC4)c3)c2=O)cc1 ZINC000098015422 554099220 /nfs/dbraw/zinc/09/92/20/554099220.db2.gz NBUMIQIHXWGGLE-UHFFFAOYSA-N 1 2 569.618 3.868 50 0 KHAALO Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)c2=O)cc1 ZINC000098015434 554099095 /nfs/dbraw/zinc/09/90/95/554099095.db2.gz VDCODGXUFASVTG-UHFFFAOYSA-N 1 2 569.618 3.868 50 0 KHAALO Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(F)cc2)o1 ZINC000098017603 554109430 /nfs/dbraw/zinc/10/94/30/554109430.db2.gz YATYQPGKIHGNLU-UHFFFAOYSA-N 1 2 543.661 3.669 50 0 KHAALO O=C(CN(CCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(Br)cc1)N(Cc1ccco1)Cc1ccccc1 ZINC000098017793 554110466 /nfs/dbraw/zinc/11/04/66/554110466.db2.gz RMBYQTFJOMKRAT-UHFFFAOYSA-N 1 2 590.540 3.984 50 0 KHAALO Cn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000098020131 554116914 /nfs/dbraw/zinc/11/69/14/554116914.db2.gz MVWCWRVDDMGYDA-UHFFFAOYSA-N 1 2 534.663 3.827 50 0 KHAALO COc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 ZINC000098022853 554119769 /nfs/dbraw/zinc/11/97/69/554119769.db2.gz SPGFPZDXAVDKMF-UHFFFAOYSA-N 1 2 531.476 3.966 50 0 KHAALO C[C@H]1CCCN(CN2c3ccccc3C3(OCC4(CO3)COC3(OC4)c4ccccc4N(C[N@H+]4CCC[C@H](C)C4)C3=O)C2=O)C1 ZINC000098045132 554130843 /nfs/dbraw/zinc/13/08/43/554130843.db2.gz ARTZRUDETGRHGI-XUQBDQFUSA-N 1 2 616.759 3.844 50 0 KHAALO C[C@H]1CCCN(CN2c3ccccc3C3(OCC4(CO3)COC3(OC4)c4ccccc4N(C[N@@H+]4CCC[C@H](C)C4)C3=O)C2=O)C1 ZINC000098045132 554130841 /nfs/dbraw/zinc/13/08/41/554130841.db2.gz ARTZRUDETGRHGI-XUQBDQFUSA-N 1 2 616.759 3.844 50 0 KHAALO COc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000098046725 554142790 /nfs/dbraw/zinc/14/27/90/554142790.db2.gz OVRBQMKAWZSBNI-HSZRJFAPSA-N 1 2 543.414 3.840 50 0 KHAALO COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000098046726 554143134 /nfs/dbraw/zinc/14/31/34/554143134.db2.gz OVRBQMKAWZSBNI-QHCPKHFHSA-N 1 2 543.414 3.840 50 0 KHAALO COc1cc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000098046727 554143178 /nfs/dbraw/zinc/14/31/78/554143178.db2.gz PTWQHACJXJQUKP-HSZRJFAPSA-N 1 2 573.440 3.849 50 0 KHAALO COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000098046728 554143139 /nfs/dbraw/zinc/14/31/39/554143139.db2.gz PTWQHACJXJQUKP-QHCPKHFHSA-N 1 2 573.440 3.849 50 0 KHAALO COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046731 554143095 /nfs/dbraw/zinc/14/30/95/554143095.db2.gz VXJXBOLYUUTDLD-JOCHJYFZSA-N 1 2 541.398 3.610 50 0 KHAALO COC(=O)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046732 554143182 /nfs/dbraw/zinc/14/31/82/554143182.db2.gz VXJXBOLYUUTDLD-QFIPXVFZSA-N 1 2 541.398 3.610 50 0 KHAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc1)c2=O ZINC000098049270 554164719 /nfs/dbraw/zinc/16/47/19/554164719.db2.gz BXZDVXAMKVBJQC-UHFFFAOYSA-N 1 2 589.693 3.975 50 0 KHAALO CCN1CC[NH+](CCCNC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)CC1 ZINC000098049444 554166049 /nfs/dbraw/zinc/16/60/49/554166049.db2.gz FSDDQSKVDYPVCJ-UHFFFAOYSA-N 1 2 544.519 3.627 50 0 KHAALO CC[NH+]1CCN(CCCNC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)CC1 ZINC000098049444 554166047 /nfs/dbraw/zinc/16/60/47/554166047.db2.gz FSDDQSKVDYPVCJ-UHFFFAOYSA-N 1 2 544.519 3.627 50 0 KHAALO COc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2NCCc2ccc(OC)c(OC)c2)c1 ZINC000098049704 554168200 /nfs/dbraw/zinc/16/82/00/554168200.db2.gz PCZVEHRIVBNPGL-UHFFFAOYSA-N 1 2 568.696 3.555 50 0 KHAALO Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(O)c2c1 ZINC000098049775 554168717 /nfs/dbraw/zinc/16/87/17/554168717.db2.gz PLNOTNCLAVOHMP-UHFFFAOYSA-N 1 2 544.677 3.928 50 0 KHAALO CCOc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c(O)c3c2)cc1 ZINC000098049828 554169511 /nfs/dbraw/zinc/16/95/11/554169511.db2.gz LRKIVVJYZZTPIK-UHFFFAOYSA-N 1 2 560.676 3.710 50 0 KHAALO O=S(=O)(c1cccc2c1cccc2S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000098050504 554174946 /nfs/dbraw/zinc/17/49/46/554174946.db2.gz GFWJPJIMDOCGDP-UHFFFAOYSA-N 1 2 604.798 3.853 50 0 KHAALO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(NC(=O)Nc4cccc5ccccc54)CC3)C2=O)cc1 ZINC000100188980 554243893 /nfs/dbraw/zinc/24/38/93/554243893.db2.gz RXIFSMHKXKGDQX-RUZDIDTESA-N 1 2 514.582 3.935 50 0 KHAALO CC(=O)OCC[NH+]1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1 ZINC000100190624 554244733 /nfs/dbraw/zinc/24/47/33/554244733.db2.gz DUDJNQNGJZMKQN-UHFFFAOYSA-N 1 2 530.054 3.884 50 0 KHAALO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000100832106 554482471 /nfs/dbraw/zinc/48/24/71/554482471.db2.gz VKJJCLVHFFZCTE-FQEVSTJZSA-N 1 2 528.436 3.800 50 0 KHAALO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000100832107 554482540 /nfs/dbraw/zinc/48/25/40/554482540.db2.gz VKJJCLVHFFZCTE-HXUWFJFHSA-N 1 2 528.436 3.800 50 0 KHAALO CCOc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2CCC[NH+]2CCOCC2)cc1 ZINC000100893981 554513239 /nfs/dbraw/zinc/51/32/39/554513239.db2.gz BOSWTBWUISEZOB-ZIADKAODSA-N 1 2 572.753 3.591 50 0 KHAALO Cc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2CCC[NH+]2CCOCC2)cc1 ZINC000100897066 554514019 /nfs/dbraw/zinc/51/40/19/554514019.db2.gz IWGRBLZQPNJIMU-DQSJHHFOSA-N 1 2 542.727 3.501 50 0 KHAALO Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)c1ccccc1 ZINC000100901269 554514715 /nfs/dbraw/zinc/51/47/15/554514715.db2.gz PGNYEIFCRDOLDV-JIPXPUAJSA-N 1 2 534.600 3.886 50 0 KHAALO Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)c1ccccc1 ZINC000100901270 554514619 /nfs/dbraw/zinc/51/46/19/554514619.db2.gz PGNYEIFCRDOLDV-ZBLYBZFDSA-N 1 2 534.600 3.886 50 0 KHAALO Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)c1ccccc1 ZINC000100901271 554514752 /nfs/dbraw/zinc/51/47/52/554514752.db2.gz PGNYEIFCRDOLDV-KDYSTLNUSA-N 1 2 534.600 3.886 50 0 KHAALO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)c1ccccc1 ZINC000100901273 554514632 /nfs/dbraw/zinc/51/46/32/554514632.db2.gz PGNYEIFCRDOLDV-IDISGSTGSA-N 1 2 534.600 3.886 50 0 KHAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000100915226 554519348 /nfs/dbraw/zinc/51/93/48/554519348.db2.gz KDZNBNNSMQHVIF-UKWMHNODSA-N 1 2 504.970 3.953 50 0 KHAALO Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000100929522 554526149 /nfs/dbraw/zinc/52/61/49/554526149.db2.gz BADGXLRCOGZQIS-UIOOFZCWSA-N 1 2 548.665 3.819 50 0 KHAALO Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000100929523 554526156 /nfs/dbraw/zinc/52/61/56/554526156.db2.gz BADGXLRCOGZQIS-FTJBHMTQSA-N 1 2 548.665 3.819 50 0 KHAALO Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000100929524 554526146 /nfs/dbraw/zinc/52/61/46/554526146.db2.gz BADGXLRCOGZQIS-IZZNHLLZSA-N 1 2 548.665 3.819 50 0 KHAALO Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000100929526 554526166 /nfs/dbraw/zinc/52/61/66/554526166.db2.gz BADGXLRCOGZQIS-CLJLJLNGSA-N 1 2 548.665 3.819 50 0 KHAALO CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)CC1 ZINC000100953010 554538026 /nfs/dbraw/zinc/53/80/26/554538026.db2.gz FAEKIRBLFYUUJR-FLWNBWAVSA-N 1 2 584.764 3.745 50 0 KHAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)[nH+]1 ZINC000100957792 554540870 /nfs/dbraw/zinc/54/08/70/554540870.db2.gz ODQJHAYZTPVHPN-UHFFFAOYSA-N 1 2 551.410 3.771 50 0 KHAALO O=C(c1cccc(CSc2nc(Cl)cc(N3CCOCC3)n2)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000100961878 554542728 /nfs/dbraw/zinc/54/27/28/554542728.db2.gz RMVGPPLUCZYDJP-UHFFFAOYSA-N 1 2 568.099 3.946 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101091407 554582588 /nfs/dbraw/zinc/58/25/88/554582588.db2.gz BMCKFOUFCLGLHJ-RQXXJAGISA-N 1 2 520.305 3.899 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101091407 554582587 /nfs/dbraw/zinc/58/25/87/554582587.db2.gz BMCKFOUFCLGLHJ-RQXXJAGISA-N 1 2 520.305 3.899 50 0 KHAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000101117077 554643201 /nfs/dbraw/zinc/64/32/01/554643201.db2.gz VJAWRABMSDYDMX-QYOOZWMWSA-N 1 2 509.518 3.578 50 0 KHAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000101117077 554643199 /nfs/dbraw/zinc/64/31/99/554643199.db2.gz VJAWRABMSDYDMX-QYOOZWMWSA-N 1 2 509.518 3.578 50 0 KHAALO COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc5c(c4)OCO5)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101117080 554643185 /nfs/dbraw/zinc/64/31/85/554643185.db2.gz VJAWRABMSDYDMX-QUMGSSFMSA-N 1 2 509.518 3.578 50 0 KHAALO COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc5c(c4)OCO5)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101117080 554643183 /nfs/dbraw/zinc/64/31/83/554643183.db2.gz VJAWRABMSDYDMX-QUMGSSFMSA-N 1 2 509.518 3.578 50 0 KHAALO C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000101140080 554652782 /nfs/dbraw/zinc/65/27/82/554652782.db2.gz QWGVQHIMRFGPTJ-NABFYQNISA-N 1 2 542.727 3.579 50 0 KHAALO C[C@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000101140082 554652768 /nfs/dbraw/zinc/65/27/68/554652768.db2.gz QWGVQHIMRFGPTJ-CGOVDPIQSA-N 1 2 542.727 3.579 50 0 KHAALO C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CC[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000101140083 554652759 /nfs/dbraw/zinc/65/27/59/554652759.db2.gz QWGVQHIMRFGPTJ-PDZFEWALSA-N 1 2 542.727 3.579 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101148726 554656794 /nfs/dbraw/zinc/65/67/94/554656794.db2.gz XXIGMZDLNOQPQR-RQXXJAGISA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101148726 554656792 /nfs/dbraw/zinc/65/67/92/554656792.db2.gz XXIGMZDLNOQPQR-RQXXJAGISA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101169993 554661503 /nfs/dbraw/zinc/66/15/03/554661503.db2.gz YYWTXARKPVSGJI-RQXXJAGISA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101169993 554661502 /nfs/dbraw/zinc/66/15/02/554661502.db2.gz YYWTXARKPVSGJI-RQXXJAGISA-N 1 2 531.204 3.643 50 0 KHAALO CC[C@H](C(=O)N1CCN(c2nc(C[NH+]3CCN(c4cc(Cl)ccc4OC)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000101209395 554678231 /nfs/dbraw/zinc/67/82/31/554678231.db2.gz NVYYLIGEWFXWAJ-VWLOTQADSA-N 1 2 565.118 3.597 50 0 KHAALO CC[C@@H](C(=O)N1CCN(c2nc(C[NH+]3CCN(c4cc(Cl)ccc4OC)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000101209399 554678244 /nfs/dbraw/zinc/67/82/44/554678244.db2.gz NVYYLIGEWFXWAJ-RUZDIDTESA-N 1 2 565.118 3.597 50 0 KHAALO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264750 554698151 /nfs/dbraw/zinc/69/81/51/554698151.db2.gz NLJBHKOTBCVIRL-HHHXNRCGSA-N 1 2 562.070 3.610 50 0 KHAALO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264753 554698180 /nfs/dbraw/zinc/69/81/80/554698180.db2.gz NLJBHKOTBCVIRL-MHZLTWQESA-N 1 2 562.070 3.610 50 0 KHAALO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264773 554698162 /nfs/dbraw/zinc/69/81/62/554698162.db2.gz LSFXYKRNODUSOK-HHHXNRCGSA-N 1 2 595.622 3.976 50 0 KHAALO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264775 554698135 /nfs/dbraw/zinc/69/81/35/554698135.db2.gz LSFXYKRNODUSOK-MHZLTWQESA-N 1 2 595.622 3.976 50 0 KHAALO CC[N@@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2c1=O)c1cccc(C)c1 ZINC000101266787 554699227 /nfs/dbraw/zinc/69/92/27/554699227.db2.gz SASZJRGUACUVAM-OYRHEFFESA-N 1 2 573.785 3.774 50 0 KHAALO CC[N@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2c1=O)c1cccc(C)c1 ZINC000101266787 554699226 /nfs/dbraw/zinc/69/92/26/554699226.db2.gz SASZJRGUACUVAM-OYRHEFFESA-N 1 2 573.785 3.774 50 0 KHAALO C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CCC[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000101345825 554737291 /nfs/dbraw/zinc/73/72/91/554737291.db2.gz ZETMWYUPFHKMJM-RZQSZUFZSA-N 1 2 556.754 3.969 50 0 KHAALO C[C@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CCC[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000101345827 554737339 /nfs/dbraw/zinc/73/73/39/554737339.db2.gz ZETMWYUPFHKMJM-MYJZRRDVSA-N 1 2 556.754 3.969 50 0 KHAALO C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CCC[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000101345828 554737300 /nfs/dbraw/zinc/73/73/00/554737300.db2.gz ZETMWYUPFHKMJM-NRKQSIPESA-N 1 2 556.754 3.969 50 0 KHAALO O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000101391277 1066195786 /nfs/dbraw/zinc/19/57/86/1066195786.db2.gz PDHYMFQURXRMCA-PMERELPUSA-N 1 2 539.680 3.644 50 0 KHAALO O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000101391280 1066195752 /nfs/dbraw/zinc/19/57/52/1066195752.db2.gz PDHYMFQURXRMCA-SSEXGKCCSA-N 1 2 539.680 3.644 50 0 KHAALO CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCC[NH+]1CCN(c3ccccc3F)CC1)cn2C ZINC000101410032 554763292 /nfs/dbraw/zinc/76/32/92/554763292.db2.gz VGOOUSKNDAJPQL-UHFFFAOYSA-N 1 2 597.757 3.573 50 0 KHAALO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101411420 554763945 /nfs/dbraw/zinc/76/39/45/554763945.db2.gz WSGDJILUQLAKTI-UHFFFAOYSA-N 1 2 570.715 3.726 50 0 KHAALO CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCC[NH+]1CCN(c3cccc(Cl)c3)CC1)cn2C ZINC000101415805 554764625 /nfs/dbraw/zinc/76/46/25/554764625.db2.gz NRMXFKHAAMHNIN-UHFFFAOYSA-N 1 2 600.185 3.697 50 0 KHAALO CCn1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000101417884 554766520 /nfs/dbraw/zinc/76/65/20/554766520.db2.gz JGJWDBLPDRGHOQ-UHFFFAOYSA-N 1 2 600.185 3.647 50 0 KHAALO COc1ccc(-n2nc(C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000101421479 554767338 /nfs/dbraw/zinc/76/73/38/554767338.db2.gz BUBFXBZUGVHYOJ-UHFFFAOYSA-N 1 2 554.626 3.577 50 0 KHAALO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000101428933 554769654 /nfs/dbraw/zinc/76/96/54/554769654.db2.gz LPSRBVXXGUNMAT-KMRXNPHXSA-N 1 2 545.709 3.965 50 0 KHAALO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000101428934 554769660 /nfs/dbraw/zinc/76/96/60/554769660.db2.gz LPSRBVXXGUNMAT-PIKZIKFNSA-N 1 2 545.709 3.965 50 0 KHAALO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000101428937 554769638 /nfs/dbraw/zinc/76/96/38/554769638.db2.gz LPSRBVXXGUNMAT-RBTNQOKQSA-N 1 2 545.709 3.965 50 0 KHAALO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000101428938 554769632 /nfs/dbraw/zinc/76/96/32/554769632.db2.gz LPSRBVXXGUNMAT-LYZGTLIUSA-N 1 2 545.709 3.965 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000101428985 554769624 /nfs/dbraw/zinc/76/96/24/554769624.db2.gz IPOOTUXVYQYWMS-DCFHFQCYSA-N 1 2 554.688 3.631 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000101428988 554769650 /nfs/dbraw/zinc/76/96/50/554769650.db2.gz IPOOTUXVYQYWMS-HRFSGMKKSA-N 1 2 554.688 3.631 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000101428991 554769635 /nfs/dbraw/zinc/76/96/35/554769635.db2.gz IPOOTUXVYQYWMS-CCLHPLFOSA-N 1 2 554.688 3.631 50 0 KHAALO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000101428994 554769668 /nfs/dbraw/zinc/76/96/68/554769668.db2.gz IPOOTUXVYQYWMS-NFQMXDRXSA-N 1 2 554.688 3.631 50 0 KHAALO 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KHAALO CC[N@@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)c1cccc(C)c1 ZINC000101685427 554829518 /nfs/dbraw/zinc/82/95/18/554829518.db2.gz MSURKVJWQDQLLP-UHFFFAOYSA-N 1 2 544.743 3.641 50 0 KHAALO CC[N@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)c1cccc(C)c1 ZINC000101685427 554829516 /nfs/dbraw/zinc/82/95/16/554829516.db2.gz MSURKVJWQDQLLP-UHFFFAOYSA-N 1 2 544.743 3.641 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000101686813 554829740 /nfs/dbraw/zinc/82/97/40/554829740.db2.gz RIZOKARZAMCCJP-RUZDIDTESA-N 1 2 541.048 3.710 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000101686813 554829739 /nfs/dbraw/zinc/82/97/39/554829739.db2.gz RIZOKARZAMCCJP-RUZDIDTESA-N 1 2 541.048 3.710 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1OC ZINC000101686821 554829665 /nfs/dbraw/zinc/82/96/65/554829665.db2.gz RIZOKARZAMCCJP-VWLOTQADSA-N 1 2 541.048 3.710 50 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ZINC000101962797 554853569 /nfs/dbraw/zinc/85/35/69/554853569.db2.gz QWGWUFVNXUEFPO-UNMCSNQZSA-N 1 2 531.535 3.533 50 0 KHAALO CCC1=C(C(=O)OC)[C@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000101972446 554860573 /nfs/dbraw/zinc/86/05/73/554860573.db2.gz BUJOJLOFXWRHIU-VWLOTQADSA-N 1 2 512.676 3.787 50 0 KHAALO CCC1=C(C(=O)OC)[C@@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000101972450 554860630 /nfs/dbraw/zinc/86/06/30/554860630.db2.gz BUJOJLOFXWRHIU-RUZDIDTESA-N 1 2 512.676 3.787 50 0 KHAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000101977737 1066205802 /nfs/dbraw/zinc/20/58/02/1066205802.db2.gz ZLWQIFQBAXPNMV-UHFFFAOYSA-N 1 2 561.664 3.700 50 0 KHAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000101977737 1066205796 /nfs/dbraw/zinc/20/57/96/1066205796.db2.gz ZLWQIFQBAXPNMV-UHFFFAOYSA-N 1 2 561.664 3.700 50 0 KHAALO 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MOKQKAKRAZADAF-GDLZYMKVSA-N 1 2 592.718 3.818 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1cc(OC)ccc1OC ZINC000102039856 554869256 /nfs/dbraw/zinc/86/92/56/554869256.db2.gz MOKQKAKRAZADAF-LJAQVGFWSA-N 1 2 592.718 3.818 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1cccc(OC)c1OC ZINC000102039877 554869212 /nfs/dbraw/zinc/86/92/12/554869212.db2.gz HLMBMVLHBQQIGS-MUUNZHRXSA-N 1 2 592.718 3.818 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1cccc(OC)c1OC ZINC000102039879 554869242 /nfs/dbraw/zinc/86/92/42/554869242.db2.gz HLMBMVLHBQQIGS-NDEPHWFRSA-N 1 2 592.718 3.818 50 0 KHAALO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102040095 554869556 /nfs/dbraw/zinc/86/95/56/554869556.db2.gz ZEACCFBMZGPDIC-LJAQVGFWSA-N 1 2 592.718 3.861 50 0 KHAALO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102040099 554869578 /nfs/dbraw/zinc/86/95/78/554869578.db2.gz ZEACCFBMZGPDIC-GDLZYMKVSA-N 1 2 592.718 3.861 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102041316 554869595 /nfs/dbraw/zinc/86/95/95/554869595.db2.gz UEKILSCGNUMJKJ-GDLZYMKVSA-N 1 2 592.718 3.818 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000102041320 554869562 /nfs/dbraw/zinc/86/95/62/554869562.db2.gz UEKILSCGNUMJKJ-LJAQVGFWSA-N 1 2 592.718 3.818 50 0 KHAALO COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c(OC)c1 ZINC000102041424 554869591 /nfs/dbraw/zinc/86/95/91/554869591.db2.gz LBHGNADCWZPXKY-LJAQVGFWSA-N 1 2 592.718 3.861 50 0 KHAALO COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c(OC)c1 ZINC000102041427 554869625 /nfs/dbraw/zinc/86/96/25/554869625.db2.gz LBHGNADCWZPXKY-GDLZYMKVSA-N 1 2 592.718 3.861 50 0 KHAALO COc1ccc(OC)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1 ZINC000102041634 554869618 /nfs/dbraw/zinc/86/96/18/554869618.db2.gz REZVCAADGDJRNE-LJAQVGFWSA-N 1 2 592.718 3.861 50 0 KHAALO COc1ccc(OC)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1 ZINC000102041640 554869629 /nfs/dbraw/zinc/86/96/29/554869629.db2.gz REZVCAADGDJRNE-GDLZYMKVSA-N 1 2 592.718 3.861 50 0 KHAALO COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1OC ZINC000102041646 554869649 /nfs/dbraw/zinc/86/96/49/554869649.db2.gz HXCLLKOAXJYOHT-NDEPHWFRSA-N 1 2 592.718 3.861 50 0 KHAALO COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1OC ZINC000102041650 554869599 /nfs/dbraw/zinc/86/95/99/554869599.db2.gz HXCLLKOAXJYOHT-MUUNZHRXSA-N 1 2 592.718 3.861 50 0 KHAALO COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)cc1OC ZINC000102042540 554869775 /nfs/dbraw/zinc/86/97/75/554869775.db2.gz KQGQYBWHBVAWBF-LJAQVGFWSA-N 1 2 592.718 3.861 50 0 KHAALO COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)cc1OC ZINC000102042545 554869824 /nfs/dbraw/zinc/86/98/24/554869824.db2.gz KQGQYBWHBVAWBF-GDLZYMKVSA-N 1 2 592.718 3.861 50 0 KHAALO COc1cc(OC)cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1 ZINC000102042616 554869753 /nfs/dbraw/zinc/86/97/53/554869753.db2.gz YLYPMASKFUDPJE-LJAQVGFWSA-N 1 2 592.718 3.861 50 0 KHAALO COc1cc(OC)cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1 ZINC000102042618 554869788 /nfs/dbraw/zinc/86/97/88/554869788.db2.gz YLYPMASKFUDPJE-GDLZYMKVSA-N 1 2 592.718 3.861 50 0 KHAALO CC[NH+]1CCC(N[C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)[N@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000102084215 554876310 /nfs/dbraw/zinc/87/63/10/554876310.db2.gz OMDJAJTZWXIFCI-PXJZQJOASA-N 1 2 528.697 3.944 50 0 KHAALO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCOCC4)n3c2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000102168438 554890535 /nfs/dbraw/zinc/89/05/35/554890535.db2.gz SEHVWRMYWCPTSA-UHFFFAOYSA-N 1 2 561.495 3.523 50 0 KHAALO Cc1noc(/C=C/c2cc(C)ccc2C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000102172111 554891638 /nfs/dbraw/zinc/89/16/38/554891638.db2.gz VWFRBZFKGGYVJF-CJZRDCOESA-N 1 2 549.697 3.915 50 0 KHAALO Cc1noc(/C=C/c2cc(C)ccc2C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000102172119 554891771 /nfs/dbraw/zinc/89/17/71/554891771.db2.gz VWFRBZFKGGYVJF-ZEWVGQQJSA-N 1 2 549.697 3.915 50 0 KHAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000102201776 554895626 /nfs/dbraw/zinc/89/56/26/554895626.db2.gz AXFLTDHDDUPVAC-JOCHJYFZSA-N 1 2 534.573 3.927 50 0 KHAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000102201779 554895526 /nfs/dbraw/zinc/89/55/26/554895526.db2.gz AXFLTDHDDUPVAC-QFIPXVFZSA-N 1 2 534.573 3.927 50 0 KHAALO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000102207308 554896316 /nfs/dbraw/zinc/89/63/16/554896316.db2.gz ZVIGVNWCGIVKAY-UHFFFAOYSA-N 1 2 568.690 3.902 50 0 KHAALO CC[C@@H](c1nnc(SCc2nnc(-c3ccc(Br)s3)o2)n1CCN1CCOCC1)[NH+](C)C ZINC000102220141 554898695 /nfs/dbraw/zinc/89/86/95/554898695.db2.gz WHPPDXVAHSUQTM-AWEZNQCLSA-N 1 2 542.529 3.789 50 0 KHAALO CC[C@H](c1nnc(SCc2nnc(-c3ccc(Br)s3)o2)n1CCN1CCOCC1)[NH+](C)C ZINC000102220146 554898704 /nfs/dbraw/zinc/89/87/04/554898704.db2.gz WHPPDXVAHSUQTM-CQSZACIVSA-N 1 2 542.529 3.789 50 0 KHAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc1)c2=O ZINC000102221671 554899386 /nfs/dbraw/zinc/89/93/86/554899386.db2.gz WZVVHYKLMJXRTG-UHFFFAOYSA-N 1 2 528.634 3.852 50 0 KHAALO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000102282123 554907343 /nfs/dbraw/zinc/90/73/43/554907343.db2.gz XZMVIOLWLLXYAR-UHFFFAOYSA-N 1 2 528.009 3.568 50 0 KHAALO O=C(NCCCn1cc[nH+]c1)c1cc(NCc2ccc3c(c2)OCCO3)cc(S(=O)(=O)Nc2ccccc2)c1 ZINC000102297784 1066292172 /nfs/dbraw/zinc/29/21/72/1066292172.db2.gz LBBOBYCLJNIDKU-UHFFFAOYSA-N 1 2 547.637 3.887 50 0 KHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)[N@@H+](Cc3c(OC)ccc4ccccc43)C2)cc1 ZINC000102335879 554912663 /nfs/dbraw/zinc/91/26/63/554912663.db2.gz DZBWTCVUDPPXIU-WIOYSNFSSA-N 1 2 540.707 3.896 50 0 KHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)[N@H+](Cc3c(OC)ccc4ccccc43)C2)cc1 ZINC000102335879 554912662 /nfs/dbraw/zinc/91/26/62/554912662.db2.gz DZBWTCVUDPPXIU-WIOYSNFSSA-N 1 2 540.707 3.896 50 0 KHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)[N@@H+](Cc3c(OC)ccc4ccccc43)C2)cc1 ZINC000102335887 554912659 /nfs/dbraw/zinc/91/26/59/554912659.db2.gz DZBWTCVUDPPXIU-CLLDFNAGSA-N 1 2 540.707 3.896 50 0 KHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)[N@H+](Cc3c(OC)ccc4ccccc43)C2)cc1 ZINC000102335887 554912658 /nfs/dbraw/zinc/91/26/58/554912658.db2.gz DZBWTCVUDPPXIU-CLLDFNAGSA-N 1 2 540.707 3.896 50 0 KHAALO COc1ccc(CC(=O)N(CC[NH+]2CCOCC2)CC(=O)N(Cc2cccs2)Cc2ccc(F)cc2)cc1 ZINC000102338571 554912839 /nfs/dbraw/zinc/91/28/39/554912839.db2.gz HZVJUJXMSKBSIT-UHFFFAOYSA-N 1 2 539.673 3.828 50 0 KHAALO Cc1nc(SCC(N)=O)nc(C)c1CCC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000102381346 554918533 /nfs/dbraw/zinc/91/85/33/554918533.db2.gz HQLPTMGJAQAJSH-UHFFFAOYSA-N 1 2 539.652 3.815 50 0 KHAALO O=C(CN(CCC[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000102415662 554924934 /nfs/dbraw/zinc/92/49/34/554924934.db2.gz LMMCAMZHEHBRLP-QFIPXVFZSA-N 1 2 574.527 3.507 50 0 KHAALO O=C(CN(CCC[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000102415665 554924865 /nfs/dbraw/zinc/92/48/65/554924865.db2.gz LMMCAMZHEHBRLP-JOCHJYFZSA-N 1 2 574.527 3.507 50 0 KHAALO CC[NH+]1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccc(Cl)cc5)cc43)o2)CC1 ZINC000102416159 554924980 /nfs/dbraw/zinc/92/49/80/554924980.db2.gz ZRJTVBDSXHGZGG-UHFFFAOYSA-N 1 2 538.000 3.898 50 0 KHAALO CC[NH+]1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccccc5Cl)cc43)o2)CC1 ZINC000102416370 554924928 /nfs/dbraw/zinc/92/49/28/554924928.db2.gz DNBDWFHDZGZELI-UHFFFAOYSA-N 1 2 538.000 3.898 50 0 KHAALO O=S(=O)(c1ccc(F)cc1F)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000102417186 1066506839 /nfs/dbraw/zinc/50/68/39/1066506839.db2.gz QNTIUNZTVFVMGR-UHFFFAOYSA-N 1 2 542.652 3.910 50 0 KHAALO COc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N21 ZINC000102528092 554952808 /nfs/dbraw/zinc/95/28/08/554952808.db2.gz UWYFJTHNNRFAPN-NDEPHWFRSA-N 1 2 562.692 3.852 50 0 KHAALO COc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N21 ZINC000102528097 554952778 /nfs/dbraw/zinc/95/27/78/554952778.db2.gz UWYFJTHNNRFAPN-MUUNZHRXSA-N 1 2 562.692 3.852 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccc(OC)cc1 ZINC000102531209 554953924 /nfs/dbraw/zinc/95/39/24/554953924.db2.gz PFUDIDYZDQCPLI-MUUNZHRXSA-N 1 2 562.692 3.809 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccc(OC)cc1 ZINC000102531214 554953946 /nfs/dbraw/zinc/95/39/46/554953946.db2.gz PFUDIDYZDQCPLI-NDEPHWFRSA-N 1 2 562.692 3.809 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccccc1OC ZINC000102536167 554955711 /nfs/dbraw/zinc/95/57/11/554955711.db2.gz VEQMRCLYOAUNET-MUUNZHRXSA-N 1 2 562.692 3.809 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccccc1OC ZINC000102536171 554955715 /nfs/dbraw/zinc/95/57/15/554955715.db2.gz VEQMRCLYOAUNET-NDEPHWFRSA-N 1 2 562.692 3.809 50 0 KHAALO CCOc1ccc(C[N@H+]2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000102549381 554960992 /nfs/dbraw/zinc/96/09/92/554960992.db2.gz DMGPYIXNLKQXDC-OFNKIYASSA-N 1 2 531.535 3.614 50 0 KHAALO CCOc1ccc(C[N@@H+]2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000102549381 554960989 /nfs/dbraw/zinc/96/09/89/554960989.db2.gz DMGPYIXNLKQXDC-OFNKIYASSA-N 1 2 531.535 3.614 50 0 KHAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@@H]3CCCN(C(=O)c4cn(C)c5ccccc5c4=O)C3)cc2)CC1 ZINC000102565278 554969707 /nfs/dbraw/zinc/96/97/07/554969707.db2.gz AOXCGJROVVLVFU-XMMPIXPASA-N 1 2 546.668 3.744 50 0 KHAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@H]3CCCN(C(=O)c4cn(C)c5ccccc5c4=O)C3)cc2)CC1 ZINC000102565285 554969749 /nfs/dbraw/zinc/96/97/49/554969749.db2.gz AOXCGJROVVLVFU-DEOSSOPVSA-N 1 2 546.668 3.744 50 0 KHAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)n2)CC1 ZINC000102569773 554970282 /nfs/dbraw/zinc/97/02/82/554970282.db2.gz WSMOGUXDGGRMOT-UHFFFAOYSA-N 1 2 572.497 3.762 50 0 KHAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@@H+](Cc3cccc(OC)c3)C2)nn1 ZINC000102599927 554977702 /nfs/dbraw/zinc/97/77/02/554977702.db2.gz XEAVKMBYNLOQGD-SQHAQQRYSA-N 1 2 525.609 3.795 50 0 KHAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@H+](Cc3cccc(OC)c3)C2)nn1 ZINC000102599927 554977700 /nfs/dbraw/zinc/97/77/00/554977700.db2.gz XEAVKMBYNLOQGD-SQHAQQRYSA-N 1 2 525.609 3.795 50 0 KHAALO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000102612865 554982288 /nfs/dbraw/zinc/98/22/88/554982288.db2.gz ILEPZSUYPHWOOE-ZHACJKMWSA-N 1 2 535.670 3.606 50 0 KHAALO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000102612893 554982272 /nfs/dbraw/zinc/98/22/72/554982272.db2.gz XVUBMZQGKLKYLS-JXMROGBWSA-N 1 2 592.718 3.936 50 0 KHAALO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000102613036 554982550 /nfs/dbraw/zinc/98/25/50/554982550.db2.gz SWFIPTCZYWNBKS-VAWYXSNFSA-N 1 2 595.741 3.940 50 0 KHAALO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000102613373 554982860 /nfs/dbraw/zinc/98/28/60/554982860.db2.gz IVFOEIUTARCNQP-VQHVLOKHSA-N 1 2 596.681 3.766 50 0 KHAALO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CC1 ZINC000102613551 554983095 /nfs/dbraw/zinc/98/30/95/554983095.db2.gz AYKUCWUCGSHBOD-CMDGGOBGSA-N 1 2 586.686 3.647 50 0 KHAALO CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(N4CCN(c5ccccc5F)CC4)cc(C)[nH+]3)cc2)CC1 ZINC000102613634 554983364 /nfs/dbraw/zinc/98/33/64/554983364.db2.gz MEOOGUXJMMWIDQ-UHFFFAOYSA-N 1 2 548.688 3.847 50 0 KHAALO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000102614044 554983825 /nfs/dbraw/zinc/98/38/25/554983825.db2.gz KAWKDZJMIQGDPC-SOFGYWHQSA-N 1 2 557.623 3.576 50 0 KHAALO O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000102646557 554992739 /nfs/dbraw/zinc/99/27/39/554992739.db2.gz AEKSHIFVANERGJ-UHFFFAOYSA-N 1 2 532.591 3.755 50 0 KHAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccc4ccccc4n3)[N@@H+](Cc3ccc4ccccc4c3)C2)c1C(=O)OC ZINC000102649387 1066209049 /nfs/dbraw/zinc/20/90/49/1066209049.db2.gz QIMDOVQJPPOQEW-BDYUSTAISA-N 1 2 578.629 3.685 50 0 KHAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccc4ccccc4n3)[N@H+](Cc3ccc4ccccc4c3)C2)c1C(=O)OC ZINC000102649387 1066209040 /nfs/dbraw/zinc/20/90/40/1066209040.db2.gz QIMDOVQJPPOQEW-BDYUSTAISA-N 1 2 578.629 3.685 50 0 KHAALO CCOc1ccccc1C[N@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000102652093 554996486 /nfs/dbraw/zinc/99/64/86/554996486.db2.gz HNXFHAUEEZQLLT-IRLDBZIGSA-N 1 2 531.535 3.614 50 0 KHAALO CCOc1ccccc1C[N@@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000102652093 554996483 /nfs/dbraw/zinc/99/64/83/554996483.db2.gz HNXFHAUEEZQLLT-IRLDBZIGSA-N 1 2 531.535 3.614 50 0 KHAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](C/C=C/c3ccc(OC)cc3)C2)nn1 ZINC000102652646 554996783 /nfs/dbraw/zinc/99/67/83/554996783.db2.gz HVISMYWOCNAZFV-FAJVEGQNSA-N 1 2 543.546 3.737 50 0 KHAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](C/C=C/c3ccc(OC)cc3)C2)nn1 ZINC000102652646 554996781 /nfs/dbraw/zinc/99/67/81/554996781.db2.gz HVISMYWOCNAZFV-FAJVEGQNSA-N 1 2 543.546 3.737 50 0 KHAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](Cc3ccc(C)cc3C)C2)c1C(=O)OC ZINC000102662359 1066209797 /nfs/dbraw/zinc/20/97/97/1066209797.db2.gz QKVKPSUSPBKJEK-UNMCSNQZSA-N 1 2 537.642 3.644 50 0 KHAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@H+](Cc3ccc(C)cc3C)C2)c1C(=O)OC ZINC000102662359 1066209789 /nfs/dbraw/zinc/20/97/89/1066209789.db2.gz QKVKPSUSPBKJEK-UNMCSNQZSA-N 1 2 537.642 3.644 50 0 KHAALO COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN4CC[NH+](Cc5cccnc5)CC4)c3)CC2)cc1OC ZINC000102664237 1066209721 /nfs/dbraw/zinc/20/97/21/1066209721.db2.gz XJNXKXOOPGDDSD-UHFFFAOYSA-N 1 2 566.724 3.649 50 0 KHAALO CCc1ccc(C[N@H+]2C[C@@H](n3nnc(C(=O)OC)c3C(=O)OC)C[C@H]2C(=O)Nc2cccc(SC)c2)cc1 ZINC000102669568 1066209766 /nfs/dbraw/zinc/20/97/66/1066209766.db2.gz FDOLQNZQMWZTNX-UNMCSNQZSA-N 1 2 537.642 3.590 50 0 KHAALO CCc1ccc(C[N@@H+]2C[C@@H](n3nnc(C(=O)OC)c3C(=O)OC)C[C@H]2C(=O)Nc2cccc(SC)c2)cc1 ZINC000102669568 1066209750 /nfs/dbraw/zinc/20/97/50/1066209750.db2.gz FDOLQNZQMWZTNX-UNMCSNQZSA-N 1 2 537.642 3.590 50 0 KHAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](C/C=C/c3ccccc3OC)C2)nn1 ZINC000102705106 555014352 /nfs/dbraw/zinc/01/43/52/555014352.db2.gz QZUGQIJDEVNGDK-BASMTRSQSA-N 1 2 543.546 3.737 50 0 KHAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](C/C=C/c3ccccc3OC)C2)nn1 ZINC000102705106 555014351 /nfs/dbraw/zinc/01/43/51/555014351.db2.gz QZUGQIJDEVNGDK-BASMTRSQSA-N 1 2 543.546 3.737 50 0 KHAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)[N@@H+](Cc3cccc(-c4ccccc4C)c3)C2)c1C(=O)OC ZINC000102709578 1066209690 /nfs/dbraw/zinc/20/96/90/1066209690.db2.gz GRVSNJQSZDNADT-DHLKQENFSA-N 1 2 557.607 3.552 50 0 KHAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)[N@H+](Cc3cccc(-c4ccccc4C)c3)C2)c1C(=O)OC ZINC000102709578 1066209680 /nfs/dbraw/zinc/20/96/80/1066209680.db2.gz GRVSNJQSZDNADT-DHLKQENFSA-N 1 2 557.607 3.552 50 0 KHAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@@H+](Cc3ccc(OC)cc3F)C2)nn1 ZINC000102713401 555017692 /nfs/dbraw/zinc/01/76/92/555017692.db2.gz KYVILWABRDIDQS-KCWPFWIISA-N 1 2 543.599 3.934 50 0 KHAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@H+](Cc3ccc(OC)cc3F)C2)nn1 ZINC000102713401 555017690 /nfs/dbraw/zinc/01/76/90/555017690.db2.gz KYVILWABRDIDQS-KCWPFWIISA-N 1 2 543.599 3.934 50 0 KHAALO COc1ccc(CCNC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCOCC2)cc1OC ZINC000102727063 555022103 /nfs/dbraw/zinc/02/21/03/555022103.db2.gz SGCGHGURSDOEGD-UHFFFAOYSA-N 1 2 582.748 3.802 50 0 KHAALO COC(=O)c1ccccc1NC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000102727526 555022299 /nfs/dbraw/zinc/02/22/99/555022299.db2.gz CVBRTXPRDUWVGE-UHFFFAOYSA-N 1 2 552.678 3.851 50 0 KHAALO CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102746872 555039863 /nfs/dbraw/zinc/03/98/63/555039863.db2.gz XFJCGSBBKZTJKE-XMMPIXPASA-N 1 2 565.662 3.987 50 0 KHAALO CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102746873 555039900 /nfs/dbraw/zinc/03/99/00/555039900.db2.gz XFJCGSBBKZTJKE-DEOSSOPVSA-N 1 2 565.662 3.987 50 0 KHAALO COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1 ZINC000102746882 555039911 /nfs/dbraw/zinc/03/99/11/555039911.db2.gz LTXZMDDSRQGDEO-MHZLTWQESA-N 1 2 547.681 3.747 50 0 KHAALO COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)c1 ZINC000102746883 555039879 /nfs/dbraw/zinc/03/98/79/555039879.db2.gz LTXZMDDSRQGDEO-HHHXNRCGSA-N 1 2 547.681 3.747 50 0 KHAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102746892 555039765 /nfs/dbraw/zinc/03/97/65/555039765.db2.gz NYANNVKQQGIJEF-SANMLTNESA-N 1 2 535.645 3.878 50 0 KHAALO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102746894 555039955 /nfs/dbraw/zinc/03/99/55/555039955.db2.gz NYANNVKQQGIJEF-AREMUKBSSA-N 1 2 535.645 3.878 50 0 KHAALO CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102746927 555040079 /nfs/dbraw/zinc/04/00/79/555040079.db2.gz YXWCRWXYEIETAA-QHCPKHFHSA-N 1 2 519.067 3.705 50 0 KHAALO CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102746930 555040099 /nfs/dbraw/zinc/04/00/99/555040099.db2.gz YXWCRWXYEIETAA-HSZRJFAPSA-N 1 2 519.067 3.705 50 0 KHAALO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102746963 555040165 /nfs/dbraw/zinc/04/01/65/555040165.db2.gz CULVSRALCKMAQN-QHCPKHFHSA-N 1 2 519.067 3.705 50 0 KHAALO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102746967 555040087 /nfs/dbraw/zinc/04/00/87/555040087.db2.gz CULVSRALCKMAQN-HSZRJFAPSA-N 1 2 519.067 3.705 50 0 KHAALO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102747023 555040522 /nfs/dbraw/zinc/04/05/22/555040522.db2.gz XDOPYCHJUWAZGV-RUZDIDTESA-N 1 2 512.676 3.787 50 0 KHAALO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102747027 555040515 /nfs/dbraw/zinc/04/05/15/555040515.db2.gz XDOPYCHJUWAZGV-VWLOTQADSA-N 1 2 512.676 3.787 50 0 KHAALO CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2F)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102747109 555040530 /nfs/dbraw/zinc/04/05/30/555040530.db2.gz DDBKMFVBOVHKLI-MHZLTWQESA-N 1 2 550.656 3.983 50 0 KHAALO CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2F)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102747112 555040510 /nfs/dbraw/zinc/04/05/10/555040510.db2.gz DDBKMFVBOVHKLI-HHHXNRCGSA-N 1 2 550.656 3.983 50 0 KHAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC3)c2)CC1 ZINC000102753148 555045517 /nfs/dbraw/zinc/04/55/17/555045517.db2.gz RKVVRYIFOXHQCO-UHFFFAOYSA-N 1 2 575.175 3.835 50 0 KHAALO O=C(CCCCCn1c(=O)c2cc3c(cc2[nH]c1=S)OCO3)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000102755174 555047108 /nfs/dbraw/zinc/04/71/08/555047108.db2.gz INQSWMPIXFIVAH-UHFFFAOYSA-N 1 2 555.676 3.816 50 0 KHAALO O=C(CCCn1c(=O)c2cc3c(cc2[nH]c1=S)OCO3)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000102755223 555046958 /nfs/dbraw/zinc/04/69/58/555046958.db2.gz XNEJSDIAQXAZTD-UHFFFAOYSA-N 1 2 544.077 3.550 50 0 KHAALO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(Cn2c(=O)c3cc4c(cc3[nH]c2=S)OCO4)cc1 ZINC000102755312 555047003 /nfs/dbraw/zinc/04/70/03/555047003.db2.gz QJBARHQTHTVGQN-UHFFFAOYSA-N 1 2 575.666 3.917 50 0 KHAALO O=C(c1ccc(Cn2c(=O)c3cc4c(cc3[nH]c2=S)OCO4)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000102755322 555047029 /nfs/dbraw/zinc/04/70/29/555047029.db2.gz WBSICYNPHHQJTE-UHFFFAOYSA-N 1 2 514.607 3.794 50 0 KHAALO O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000102756184 555048803 /nfs/dbraw/zinc/04/88/03/555048803.db2.gz BOQNBJQCEJDFMJ-UHFFFAOYSA-N 1 2 596.773 3.924 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccccc1 ZINC000102763005 555053706 /nfs/dbraw/zinc/05/37/06/555053706.db2.gz GAWPEGYSEOOANT-HHHXNRCGSA-N 1 2 532.666 3.800 50 0 KHAALO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccccc1 ZINC000102763006 555053713 /nfs/dbraw/zinc/05/37/13/555053713.db2.gz GAWPEGYSEOOANT-MHZLTWQESA-N 1 2 532.666 3.800 50 0 KHAALO COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)cc1Br ZINC000102769315 555057002 /nfs/dbraw/zinc/05/70/02/555057002.db2.gz AXJZEOYFYTXHCY-ULJHMMPZSA-N 1 2 549.425 3.968 50 0 KHAALO CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000102771218 555059733 /nfs/dbraw/zinc/05/97/33/555059733.db2.gz FUDCFGVJQIVKRE-UHFFFAOYSA-N 1 2 538.714 3.633 50 0 KHAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000102771759 555060661 /nfs/dbraw/zinc/06/06/61/555060661.db2.gz VIGRFXOWWKUWRW-UHFFFAOYSA-N 1 2 560.461 3.892 50 0 KHAALO O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000102771986 555060992 /nfs/dbraw/zinc/06/09/92/555060992.db2.gz CDTLTKPEMIKFMF-UHFFFAOYSA-N 1 2 559.568 3.604 50 0 KHAALO 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ZINC000102935606 555163159 /nfs/dbraw/zinc/16/31/59/555163159.db2.gz VWQDBIUJRAVRTP-NRFANRHFSA-N 1 2 539.599 3.735 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000102935606 555163156 /nfs/dbraw/zinc/16/31/56/555163156.db2.gz VWQDBIUJRAVRTP-NRFANRHFSA-N 1 2 539.599 3.735 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000102936018 555163345 /nfs/dbraw/zinc/16/33/45/555163345.db2.gz MOBJYBATRCMBCW-QFIPXVFZSA-N 1 2 539.599 3.735 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000102936018 555163341 /nfs/dbraw/zinc/16/33/41/555163341.db2.gz MOBJYBATRCMBCW-QFIPXVFZSA-N 1 2 539.599 3.735 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000102936021 555163697 /nfs/dbraw/zinc/16/36/97/555163697.db2.gz MOBJYBATRCMBCW-JOCHJYFZSA-N 1 2 539.599 3.735 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000102936021 555163696 /nfs/dbraw/zinc/16/36/96/555163696.db2.gz MOBJYBATRCMBCW-JOCHJYFZSA-N 1 2 539.599 3.735 50 0 KHAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)CC1 ZINC000102936037 555163663 /nfs/dbraw/zinc/16/36/63/555163663.db2.gz UMCQZBJOPVOIPQ-QFIPXVFZSA-N 1 2 539.599 3.736 50 0 KHAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)CC1 ZINC000102936037 555163661 /nfs/dbraw/zinc/16/36/61/555163661.db2.gz UMCQZBJOPVOIPQ-QFIPXVFZSA-N 1 2 539.599 3.736 50 0 KHAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)CC1 ZINC000102936040 555163692 /nfs/dbraw/zinc/16/36/92/555163692.db2.gz UMCQZBJOPVOIPQ-JOCHJYFZSA-N 1 2 539.599 3.736 50 0 KHAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)CC1 ZINC000102936040 555163691 /nfs/dbraw/zinc/16/36/91/555163691.db2.gz UMCQZBJOPVOIPQ-JOCHJYFZSA-N 1 2 539.599 3.736 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NBXOEPCWKVTCTQ-QFIPXVFZSA-N 1 2 539.599 3.736 50 0 KHAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2CC)CC1 ZINC000102938219 555166469 /nfs/dbraw/zinc/16/64/69/555166469.db2.gz NBXOEPCWKVTCTQ-QFIPXVFZSA-N 1 2 539.599 3.736 50 0 KHAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2CC)CC1 ZINC000102938222 555166569 /nfs/dbraw/zinc/16/65/69/555166569.db2.gz NBXOEPCWKVTCTQ-JOCHJYFZSA-N 1 2 539.599 3.736 50 0 KHAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2CC)CC1 ZINC000102938222 555166566 /nfs/dbraw/zinc/16/65/66/555166566.db2.gz NBXOEPCWKVTCTQ-JOCHJYFZSA-N 1 2 539.599 3.736 50 0 KHAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)Cc2cc(Cl)ccc2OCc2nc(CO)cs2)cc1 ZINC000102963757 555179498 /nfs/dbraw/zinc/17/94/98/555179498.db2.gz CKKLTJVKKDZVAF-UHFFFAOYSA-N 1 2 532.062 3.851 50 0 KHAALO CC1CC[NH+](Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n(Cc3ccc(F)cc3)c2=S)CC1 ZINC000102991667 555192684 /nfs/dbraw/zinc/19/26/84/555192684.db2.gz QMJLGDIHDRWUQG-UHFFFAOYSA-N 1 2 545.706 3.979 50 0 KHAALO COc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000102996052 555195464 /nfs/dbraw/zinc/19/54/64/555195464.db2.gz SMDHLVOKVVUETG-UHFFFAOYSA-N 1 2 531.432 3.616 50 0 KHAALO COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2)cc1Cl ZINC000102997446 555196742 /nfs/dbraw/zinc/19/67/42/555196742.db2.gz HPUXKVPLHAPLFY-UHFFFAOYSA-N 1 2 574.055 3.845 50 0 KHAALO O=C(c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000102997468 555197035 /nfs/dbraw/zinc/19/70/35/555197035.db2.gz LZVANXRAPZZIQB-UHFFFAOYSA-N 1 2 558.454 3.937 50 0 KHAALO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[NH+](Cc4cc(OC)ccc4OC)CC3)cc2)cc1 ZINC000103000155 555200031 /nfs/dbraw/zinc/20/00/31/555200031.db2.gz OBUFRXLFYBSQOL-UHFFFAOYSA-N 1 2 539.654 3.861 50 0 KHAALO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cc(-c3ccccc3)c3cc4c(cc3[nH+]2)OCCO4)CC1 ZINC000103006590 555204105 /nfs/dbraw/zinc/20/41/05/555204105.db2.gz AXWAZKZWQDNIFZ-UHFFFAOYSA-N 1 2 545.617 3.955 50 0 KHAALO COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000103008446 555205288 /nfs/dbraw/zinc/20/52/88/555205288.db2.gz LSXAPSTYKMLBOR-UHFFFAOYSA-N 1 2 537.638 3.515 50 0 KHAALO CCCCc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000103022875 555213830 /nfs/dbraw/zinc/21/38/30/555213830.db2.gz XDKGFEXUMUQQAF-UHFFFAOYSA-N 1 2 546.691 3.532 50 0 KHAALO CCCCc1ccc(C(=O)N2CCN(c3nc(CN4CC[NH+](Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000103022875 555213826 /nfs/dbraw/zinc/21/38/26/555213826.db2.gz XDKGFEXUMUQQAF-UHFFFAOYSA-N 1 2 546.691 3.532 50 0 KHAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(C(=O)OC)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103024421 555214770 /nfs/dbraw/zinc/21/47/70/555214770.db2.gz YJGXYXVIXCNFQO-MUUNZHRXSA-N 1 2 546.620 3.984 50 0 KHAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(C(=O)OC)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103024424 555214780 /nfs/dbraw/zinc/21/47/80/555214780.db2.gz YJGXYXVIXCNFQO-NDEPHWFRSA-N 1 2 546.620 3.984 50 0 KHAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103024963 555215183 /nfs/dbraw/zinc/21/51/83/555215183.db2.gz AGOROMAGOIYNAD-MUUNZHRXSA-N 1 2 554.665 3.755 50 0 KHAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103024968 555215217 /nfs/dbraw/zinc/21/52/17/555215217.db2.gz AGOROMAGOIYNAD-NDEPHWFRSA-N 1 2 554.665 3.755 50 0 KHAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)occ(Oc3ccccc3F)c4=O)c2)CC1 ZINC000103025275 555215442 /nfs/dbraw/zinc/21/54/42/555215442.db2.gz ZGZJTCUVJWGWOP-UHFFFAOYSA-N 1 2 538.553 3.880 50 0 KHAALO CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000103047840 555229542 /nfs/dbraw/zinc/22/95/42/555229542.db2.gz SCIPPAFACQDUJR-UHFFFAOYSA-N 1 2 548.709 3.992 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)c1cccc(Nc2c(Oc3ccc4c(c3)OCO4)cnn(-c3ccccc3)c2=O)c1 ZINC000103056125 555237420 /nfs/dbraw/zinc/23/74/20/555237420.db2.gz RZEWVWUADJLPNY-UHFFFAOYSA-N 1 2 555.591 3.559 50 0 KHAALO CC1(C)O[C@@H]2C[C@@](OCc3cccc(Cl)c3)(C(=O)NCC[NH+]3CCOCC3)C[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000103064619 555245189 /nfs/dbraw/zinc/24/51/89/555245189.db2.gz BTFDCJKMHRDAED-DEJVGURISA-N 1 2 559.103 3.943 50 0 KHAALO CC1(C)O[C@@H]2C[C@@](OCc3cccc(Cl)c3)(C(=O)NCC[NH+]3CCOCC3)C[C@@H](OCc3ccccc3)[C@@H]2O1 ZINC000103064621 555245237 /nfs/dbraw/zinc/24/52/37/555245237.db2.gz BTFDCJKMHRDAED-KMFVSHEXSA-N 1 2 559.103 3.943 50 0 KHAALO CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000103101300 555278653 /nfs/dbraw/zinc/27/86/53/555278653.db2.gz OSLCPTSVAZYEHT-UHFFFAOYSA-N 1 2 535.666 3.859 50 0 KHAALO Cc1ccccc1OC[C@H](O)CN(CC[NH+]1CCOCC1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 ZINC000103106643 555283176 /nfs/dbraw/zinc/28/31/76/555283176.db2.gz SKGSLJIABIDTBC-HSZRJFAPSA-N 1 2 534.682 3.534 50 0 KHAALO Cc1ccccc1OC[C@@H](O)CN(CC[NH+]1CCOCC1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 ZINC000103106647 555283239 /nfs/dbraw/zinc/28/32/39/555283239.db2.gz SKGSLJIABIDTBC-QHCPKHFHSA-N 1 2 534.682 3.534 50 0 KHAALO COc1c(C)c[nH+]c(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)c1C ZINC000103108878 555284256 /nfs/dbraw/zinc/28/42/56/555284256.db2.gz LXXGWZGDBLUDQJ-IBGZPJMESA-N 1 2 532.688 3.549 50 0 KHAALO COc1c(C)c[nH+]c(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)c1C ZINC000103108882 555284265 /nfs/dbraw/zinc/28/42/65/555284265.db2.gz LXXGWZGDBLUDQJ-LJQANCHMSA-N 1 2 532.688 3.549 50 0 KHAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc4nonc4c3)CC2)c2cccc(OC)c2)cc1 ZINC000103111070 555285287 /nfs/dbraw/zinc/28/52/87/555285287.db2.gz QQWJMCNFQMGTEU-HHHXNRCGSA-N 1 2 530.581 3.734 50 0 KHAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc4nonc4c3)CC2)c2cccc(OC)c2)cc1 ZINC000103111073 555285230 /nfs/dbraw/zinc/28/52/30/555285230.db2.gz QQWJMCNFQMGTEU-MHZLTWQESA-N 1 2 530.581 3.734 50 0 KHAALO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121563 555290649 /nfs/dbraw/zinc/29/06/49/555290649.db2.gz JNLWXNUPEATLCE-BKSPAHHJSA-N 1 2 586.784 3.868 50 0 KHAALO CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121565 555290679 /nfs/dbraw/zinc/29/06/79/555290679.db2.gz JNLWXNUPEATLCE-TYBLODHISA-N 1 2 586.784 3.868 50 0 KHAALO CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121573 555290745 /nfs/dbraw/zinc/29/07/45/555290745.db2.gz JNLWXNUPEATLCE-DNRQZRRGSA-N 1 2 586.784 3.868 50 0 KHAALO C[C@@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000103121835 555290731 /nfs/dbraw/zinc/29/07/31/555290731.db2.gz UQGIZWDJIKGZLL-AWEZNQCLSA-N 1 2 541.074 3.664 50 0 KHAALO C[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000103121837 555290710 /nfs/dbraw/zinc/29/07/10/555290710.db2.gz UQGIZWDJIKGZLL-CQSZACIVSA-N 1 2 541.074 3.664 50 0 KHAALO C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000103124993 555292974 /nfs/dbraw/zinc/29/29/74/555292974.db2.gz KKRAWEWNAJQHDQ-HXUWFJFHSA-N 1 2 560.168 3.585 50 0 KHAALO C[C@H]1CN(c2cc(Cl)nc(SCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000103124996 555292921 /nfs/dbraw/zinc/29/29/21/555292921.db2.gz KKRAWEWNAJQHDQ-FQEVSTJZSA-N 1 2 560.168 3.585 50 0 KHAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000103200029 555337240 /nfs/dbraw/zinc/33/72/40/555337240.db2.gz LEVUHKLGJPSDMJ-UPVQGACJSA-N 1 2 551.080 3.605 50 0 KHAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000103200029 555337238 /nfs/dbraw/zinc/33/72/38/555337238.db2.gz LEVUHKLGJPSDMJ-UPVQGACJSA-N 1 2 551.080 3.605 50 0 KHAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000103200032 555337199 /nfs/dbraw/zinc/33/71/99/555337199.db2.gz LEVUHKLGJPSDMJ-LADGPHEKSA-N 1 2 551.080 3.605 50 0 KHAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000103200032 555337198 /nfs/dbraw/zinc/33/71/98/555337198.db2.gz LEVUHKLGJPSDMJ-LADGPHEKSA-N 1 2 551.080 3.605 50 0 KHAALO COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC[NH+]2CCOCC2)C(=O)Cc2ccccc2)cc1OC ZINC000103268970 555348498 /nfs/dbraw/zinc/34/84/98/555348498.db2.gz GBTDUNGWECMMQO-UHFFFAOYSA-N 1 2 583.689 3.899 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000103271890 555349078 /nfs/dbraw/zinc/34/90/78/555349078.db2.gz WWQJQFJWDBPQDQ-DEOSSOPVSA-N 1 2 539.629 3.674 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000103271893 555349166 /nfs/dbraw/zinc/34/91/66/555349166.db2.gz WWQJQFJWDBPQDQ-XMMPIXPASA-N 1 2 539.629 3.674 50 0 KHAALO COc1cc(-c2nc(=O)c(CCC(=O)N3CC[NH+](C4CCCC4)CC3)n[nH]2)ccc1OCc1cccc(F)c1 ZINC000103298920 555355490 /nfs/dbraw/zinc/35/54/90/555355490.db2.gz GEFHHBOYNPBPMN-UHFFFAOYSA-N 1 2 535.620 3.578 50 0 KHAALO O=C(c1ccccc1Cl)N1CCCN(c2nc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000103307421 555356695 /nfs/dbraw/zinc/35/66/95/555356695.db2.gz JHUASBPWCLVCTA-UHFFFAOYSA-N 1 2 555.510 3.747 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000103310763 555357855 /nfs/dbraw/zinc/35/78/55/555357855.db2.gz DMVMTTKUBSMBOD-VWLOTQADSA-N 1 2 539.629 3.674 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000103310766 555357839 /nfs/dbraw/zinc/35/78/39/555357839.db2.gz DMVMTTKUBSMBOD-RUZDIDTESA-N 1 2 539.629 3.674 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000103312710 555358080 /nfs/dbraw/zinc/35/80/80/555358080.db2.gz GOOHMBZCNZQZQE-VWLOTQADSA-N 1 2 539.629 3.674 50 0 KHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000103312713 555358323 /nfs/dbraw/zinc/35/83/23/555358323.db2.gz GOOHMBZCNZQZQE-RUZDIDTESA-N 1 2 539.629 3.674 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2)cc1 ZINC000103368296 555366213 /nfs/dbraw/zinc/36/62/13/555366213.db2.gz FOYMMMUPMGGCKC-NGOKVRLYSA-N 1 2 555.722 3.634 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2)cc1 ZINC000103368296 555366212 /nfs/dbraw/zinc/36/62/12/555366212.db2.gz FOYMMMUPMGGCKC-NGOKVRLYSA-N 1 2 555.722 3.634 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@@H](C)C2)cc1 ZINC000103368299 555366242 /nfs/dbraw/zinc/36/62/42/555366242.db2.gz FOYMMMUPMGGCKC-MMTVBGGISA-N 1 2 555.722 3.634 50 0 KHAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@@H](C)C2)cc1 ZINC000103368299 555366240 /nfs/dbraw/zinc/36/62/40/555366240.db2.gz FOYMMMUPMGGCKC-MMTVBGGISA-N 1 2 555.722 3.634 50 0 KHAALO CCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NN3CCOCC3)c2)[nH+]1 ZINC000103374031 555369018 /nfs/dbraw/zinc/36/90/18/555369018.db2.gz PQQTUPAVYSABOW-UHFFFAOYSA-N 1 2 536.677 3.774 50 0 KHAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N1C[C@@H]1CCCO1 ZINC000103378020 555370451 /nfs/dbraw/zinc/37/04/51/555370451.db2.gz PUVQAHOFLPHECQ-PZJWPPBQSA-N 1 2 538.497 3.696 50 0 KHAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N1C[C@@H]1CCCO1 ZINC000103378024 555370444 /nfs/dbraw/zinc/37/04/44/555370444.db2.gz PUVQAHOFLPHECQ-FPOVZHCZSA-N 1 2 538.497 3.696 50 0 KHAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N1C[C@H]1CCCO1 ZINC000103378028 555370304 /nfs/dbraw/zinc/37/03/04/555370304.db2.gz PUVQAHOFLPHECQ-TZIWHRDSSA-N 1 2 538.497 3.696 50 0 KHAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N1C[C@H]1CCCO1 ZINC000103378032 555370365 /nfs/dbraw/zinc/37/03/65/555370365.db2.gz PUVQAHOFLPHECQ-CTNGQTDRSA-N 1 2 538.497 3.696 50 0 KHAALO Cc1cccc(CO[C@@]2(C(=O)NCC[NH+]3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3ccc(F)cc3F)C2)c1 ZINC000103397069 555382749 /nfs/dbraw/zinc/38/27/49/555382749.db2.gz OKTJEDUVTLYOKN-FATKCUQPSA-N 1 2 574.665 3.876 50 0 KHAALO Cc1cccc(CO[C@@]2(C(=O)NCC[NH+]3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3ccc(F)cc3F)C2)c1 ZINC000103397073 555382699 /nfs/dbraw/zinc/38/26/99/555382699.db2.gz OKTJEDUVTLYOKN-SMXDRTIVSA-N 1 2 574.665 3.876 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000103409068 555395048 /nfs/dbraw/zinc/39/50/48/555395048.db2.gz NUTFWHKXEVNUSJ-RUZDIDTESA-N 1 2 571.074 3.719 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000103409068 555395045 /nfs/dbraw/zinc/39/50/45/555395045.db2.gz NUTFWHKXEVNUSJ-RUZDIDTESA-N 1 2 571.074 3.719 50 0 KHAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000103409070 555395075 /nfs/dbraw/zinc/39/50/75/555395075.db2.gz NUTFWHKXEVNUSJ-VWLOTQADSA-N 1 2 571.074 3.719 50 0 KHAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000103409070 555395071 /nfs/dbraw/zinc/39/50/71/555395071.db2.gz NUTFWHKXEVNUSJ-VWLOTQADSA-N 1 2 571.074 3.719 50 0 KHAALO Cc1ccc(S(=O)(=O)Nc2ccc3c(cc(C(=O)NCC[NH+]4CCOCC4)n3Cc3ccc(F)cc3)c2)cc1 ZINC000103422527 555403194 /nfs/dbraw/zinc/40/31/94/555403194.db2.gz NCSNEZMJOMABOK-UHFFFAOYSA-N 1 2 550.656 4.000 50 0 KHAALO O=C(NCC[NH+]1CCOCC1)c1cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1Cc1ccc(F)cc1 ZINC000103422542 555403128 /nfs/dbraw/zinc/40/31/28/555403128.db2.gz GYEKXLOGXHDDBM-UHFFFAOYSA-N 1 2 554.619 3.831 50 0 KHAALO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@@H]1CCCO1 ZINC000105002528 571389032 /nfs/dbraw/zinc/38/90/32/571389032.db2.gz UWRPLLSNNGEQRD-BDYUSTAISA-N 1 2 506.647 3.647 50 0 KHAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000105009709 571389288 /nfs/dbraw/zinc/38/92/88/571389288.db2.gz QORZYGVSQFPDOL-NTKDMRAZSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000105009709 571389286 /nfs/dbraw/zinc/38/92/86/571389286.db2.gz QORZYGVSQFPDOL-NTKDMRAZSA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000105009712 571389371 /nfs/dbraw/zinc/38/93/71/571389371.db2.gz QORZYGVSQFPDOL-YADARESESA-N 1 2 509.603 3.665 50 0 KHAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000105009712 571389370 /nfs/dbraw/zinc/38/93/70/571389370.db2.gz QORZYGVSQFPDOL-YADARESESA-N 1 2 509.603 3.665 50 0 KHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000105054857 571390560 /nfs/dbraw/zinc/39/05/60/571390560.db2.gz ISUVBKDFXVZMFD-AREMUKBSSA-N 1 2 513.660 3.758 50 0 KHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000105054857 571390558 /nfs/dbraw/zinc/39/05/58/571390558.db2.gz ISUVBKDFXVZMFD-AREMUKBSSA-N 1 2 513.660 3.758 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)COc1ccccc1 ZINC000105059919 571390525 /nfs/dbraw/zinc/39/05/25/571390525.db2.gz HHCPONBBVRXODZ-PIIWDFAUSA-N 1 2 507.631 3.973 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)COc1ccccc1 ZINC000105059919 571390524 /nfs/dbraw/zinc/39/05/24/571390524.db2.gz HHCPONBBVRXODZ-PIIWDFAUSA-N 1 2 507.631 3.973 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000105059927 571390491 /nfs/dbraw/zinc/39/04/91/571390491.db2.gz WGXAQJDBRZLRAY-DNOBIOAJSA-N 1 2 521.614 3.937 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000105059927 571390490 /nfs/dbraw/zinc/39/04/90/571390490.db2.gz WGXAQJDBRZLRAY-DNOBIOAJSA-N 1 2 521.614 3.937 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000105060002 571390522 /nfs/dbraw/zinc/39/05/22/571390522.db2.gz OCRSTZVIDXWCGT-YKGWIAGDSA-N 1 2 533.694 3.980 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000105060002 571390521 /nfs/dbraw/zinc/39/05/21/571390521.db2.gz OCRSTZVIDXWCGT-YKGWIAGDSA-N 1 2 533.694 3.980 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2)cc1 ZINC000105060288 571390677 /nfs/dbraw/zinc/39/06/77/571390677.db2.gz FOYMMMUPMGGCKC-PIIWDFAUSA-N 1 2 555.722 3.634 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2)cc1 ZINC000105060288 571390676 /nfs/dbraw/zinc/39/06/76/571390676.db2.gz FOYMMMUPMGGCKC-PIIWDFAUSA-N 1 2 555.722 3.634 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@H](C)C2)cc1 ZINC000105060568 571390653 /nfs/dbraw/zinc/39/06/53/571390653.db2.gz RDRSCJVLQCZLMG-WHLCRQNOSA-N 1 2 533.650 3.806 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@H](C)C2)cc1 ZINC000105060568 571390652 /nfs/dbraw/zinc/39/06/52/571390652.db2.gz RDRSCJVLQCZLMG-WHLCRQNOSA-N 1 2 533.650 3.806 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000105060598 571390778 /nfs/dbraw/zinc/39/07/78/571390778.db2.gz UAHADDNAMKDBDQ-NFQMXDRXSA-N 1 2 525.696 3.626 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000105060598 571390777 /nfs/dbraw/zinc/39/07/77/571390777.db2.gz UAHADDNAMKDBDQ-NFQMXDRXSA-N 1 2 525.696 3.626 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000105060646 571390844 /nfs/dbraw/zinc/39/08/44/571390844.db2.gz NABLLFWQDBOTPK-NIYFSFCBSA-N 1 2 513.660 3.756 50 0 KHAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000105060646 571390843 /nfs/dbraw/zinc/39/08/43/571390843.db2.gz NABLLFWQDBOTPK-NIYFSFCBSA-N 1 2 513.660 3.756 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@H](C)C2)cc1 ZINC000105061070 571390814 /nfs/dbraw/zinc/39/08/14/571390814.db2.gz KTHYSHBRWCMFTL-ONOMSOESSA-N 1 2 519.667 3.843 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@H](C)C2)cc1 ZINC000105061070 571390813 /nfs/dbraw/zinc/39/08/13/571390813.db2.gz KTHYSHBRWCMFTL-ONOMSOESSA-N 1 2 519.667 3.843 50 0 KHAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCCCCC3)[N@@H+](Cc3ccc(OCc4ccccc4)c(OC)c3)C2)nn1 ZINC000105429794 1066322639 /nfs/dbraw/zinc/32/26/39/1066322639.db2.gz ZIRFVSOYHBTKPA-RSXGOPAZSA-N 1 2 547.656 3.871 50 0 KHAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCCCCC3)[N@H+](Cc3ccc(OCc4ccccc4)c(OC)c3)C2)nn1 ZINC000105429794 1066322621 /nfs/dbraw/zinc/32/26/21/1066322621.db2.gz ZIRFVSOYHBTKPA-RSXGOPAZSA-N 1 2 547.656 3.871 50 0 KHAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)nn1 ZINC000105429855 1066322536 /nfs/dbraw/zinc/32/25/36/1066322536.db2.gz DUFZZZYMVGKBHK-IAPPQJPRSA-N 1 2 552.635 3.745 50 0 KHAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@H+](Cc3ccc(NC(C)=O)cc3)C2)nn1 ZINC000105429855 1066322521 /nfs/dbraw/zinc/32/25/21/1066322521.db2.gz DUFZZZYMVGKBHK-IAPPQJPRSA-N 1 2 552.635 3.745 50 0 KHAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447519 571423741 /nfs/dbraw/zinc/42/37/41/571423741.db2.gz KURPDORKXWBTDI-SANMLTNESA-N 1 2 615.731 3.799 50 0 biogenic KHAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCC[NH+]3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448765 571424385 /nfs/dbraw/zinc/42/43/85/571424385.db2.gz BMRKVJFXPQOHHZ-XCZPVHLTSA-N 1 2 624.779 3.528 50 0 biogenic KHAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450603 571425376 /nfs/dbraw/zinc/42/53/76/571425376.db2.gz BPMKRSUQPDPYDC-MHZLTWQESA-N 1 2 600.716 3.619 50 0 biogenic KHAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCc3c[nH]c[nH+]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451429 571425699 /nfs/dbraw/zinc/42/56/99/571425699.db2.gz HUVVCDSXAIPWRF-AHWVRZQESA-N 1 2 591.709 3.772 50 0 biogenic KHAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCc3c[nH+]c[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451429 571425697 /nfs/dbraw/zinc/42/56/97/571425697.db2.gz HUVVCDSXAIPWRF-AHWVRZQESA-N 1 2 591.709 3.772 50 0 biogenic KHAALO O=C(N/C(=C\c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000113560787 571440099 /nfs/dbraw/zinc/44/00/99/571440099.db2.gz LTVMBAIJRKXPCJ-PLRJNAJWSA-N 1 2 620.753 3.833 50 0 KHAALO O=C(N/C(=C\c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000113561803 571440269 /nfs/dbraw/zinc/44/02/69/571440269.db2.gz MGZXJDSLWOEOGX-ATJXCDBQSA-N 1 2 563.705 3.504 50 0 KHAALO O=C1C[C@@H](SC(=S)N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000113563336 571440638 /nfs/dbraw/zinc/44/06/38/571440638.db2.gz JJLQNVKMGIRBPQ-LJQANCHMSA-N 1 2 551.475 3.759 50 0 KHAALO O=C1C[C@H](SC(=S)N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000113563338 571440607 /nfs/dbraw/zinc/44/06/07/571440607.db2.gz JJLQNVKMGIRBPQ-IBGZPJMESA-N 1 2 551.475 3.759 50 0 KHAALO C[NH+]1CCN(C(=O)c2[nH]cnc2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)CC1 ZINC000136952812 571449762 /nfs/dbraw/zinc/44/97/62/571449762.db2.gz BYYZGNCZKWOIDN-UHFFFAOYSA-N 1 2 530.810 3.697 50 0 KHAALO CC[N@@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O)c1cccc(C)c1 ZINC000150402085 571478404 /nfs/dbraw/zinc/47/84/04/571478404.db2.gz FXNHQBJXKMJYBE-UHFFFAOYSA-N 1 2 652.843 3.627 50 0 KHAALO CC[N@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O)c1cccc(C)c1 ZINC000150402085 571478402 /nfs/dbraw/zinc/47/84/02/571478402.db2.gz FXNHQBJXKMJYBE-UHFFFAOYSA-N 1 2 652.843 3.627 50 0 KHAALO COc1ccc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000150410883 571483366 /nfs/dbraw/zinc/48/33/66/571483366.db2.gz QTGGYEPVYZNWEI-OAQYLSRUSA-N 1 2 636.800 3.942 50 0 KHAALO COc1ccc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000150410883 571483363 /nfs/dbraw/zinc/48/33/63/571483363.db2.gz QTGGYEPVYZNWEI-OAQYLSRUSA-N 1 2 636.800 3.942 50 0 KHAALO CCOc1ccc(-n2c(O)c(C(c3ccc(OC)c(C[NH+]4CCCC4)c3)c3c(=O)[nH]c(=O)n(-c4ccc(OCC)cc4)c3O)c(=O)[nH]c2=O)cc1 ZINC000150453150 571503386 /nfs/dbraw/zinc/50/33/86/571503386.db2.gz QQJQAIHBZZJFHT-LJAQVGFWSA-N 1 2 697.745 3.771 50 0 KHAALO CCOc1ccc(-n2c(O)c(C(c3ccc(OC)c(C[NH+]4CCCC4)c3)c3c(=O)[nH]c(=O)n(-c4ccc(OCC)cc4)c3O)c(=O)[nH]c2=O)cc1 ZINC000150453155 571503431 /nfs/dbraw/zinc/50/34/31/571503431.db2.gz QQJQAIHBZZJFHT-GDLZYMKVSA-N 1 2 697.745 3.771 50 0 KHAALO O=C(COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1)c1ccc2c(c1)OCO2 ZINC000150483966 571514630 /nfs/dbraw/zinc/51/46/30/571514630.db2.gz XOKIKAPLAWHVFZ-MUUNZHRXSA-N 1 2 631.732 3.923 50 0 KHAALO O=C(COC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1)c1ccc2c(c1)OCO2 ZINC000150483969 571514791 /nfs/dbraw/zinc/51/47/91/571514791.db2.gz XOKIKAPLAWHVFZ-NDEPHWFRSA-N 1 2 631.732 3.923 50 0 KHAALO COc1ccc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000150622232 571523395 /nfs/dbraw/zinc/52/33/95/571523395.db2.gz QTGGYEPVYZNWEI-NRFANRHFSA-N 1 2 636.800 3.942 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169677147 571554689 /nfs/dbraw/zinc/55/46/89/571554689.db2.gz OCRSTZVIDXWCGT-SMSORMJASA-N 1 2 533.694 3.980 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169677147 571554687 /nfs/dbraw/zinc/55/46/87/571554687.db2.gz OCRSTZVIDXWCGT-SMSORMJASA-N 1 2 533.694 3.980 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)cc1 ZINC000169677149 571554774 /nfs/dbraw/zinc/55/47/74/571554774.db2.gz KTHYSHBRWCMFTL-KCWXNJEJSA-N 1 2 519.667 3.843 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)cc1 ZINC000169677149 571554772 /nfs/dbraw/zinc/55/47/72/571554772.db2.gz KTHYSHBRWCMFTL-KCWXNJEJSA-N 1 2 519.667 3.843 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@@H](C)C2)cc1 ZINC000169677815 571555352 /nfs/dbraw/zinc/55/53/52/571555352.db2.gz RDRSCJVLQCZLMG-HMILPKGGSA-N 1 2 533.650 3.806 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@@H](C)C2)cc1 ZINC000169677815 571555351 /nfs/dbraw/zinc/55/53/51/571555351.db2.gz RDRSCJVLQCZLMG-HMILPKGGSA-N 1 2 533.650 3.806 50 0 KHAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000169678842 571555796 /nfs/dbraw/zinc/55/57/96/571555796.db2.gz LEVUHKLGJPSDMJ-VWNXMTODSA-N 1 2 551.080 3.605 50 0 KHAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000169678842 571555793 /nfs/dbraw/zinc/55/57/93/571555793.db2.gz LEVUHKLGJPSDMJ-VWNXMTODSA-N 1 2 551.080 3.605 50 0 KHAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000169678843 571555871 /nfs/dbraw/zinc/55/58/71/571555871.db2.gz LEVUHKLGJPSDMJ-ISKFKSNPSA-N 1 2 551.080 3.605 50 0 KHAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000169678843 571555869 /nfs/dbraw/zinc/55/58/69/571555869.db2.gz LEVUHKLGJPSDMJ-ISKFKSNPSA-N 1 2 551.080 3.605 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@@H](C)C2)cc1 ZINC000169680857 571557322 /nfs/dbraw/zinc/55/73/22/571557322.db2.gz FOYMMMUPMGGCKC-WTYVLRPYSA-N 1 2 555.722 3.634 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@@H](C)C2)cc1 ZINC000169680857 571557321 /nfs/dbraw/zinc/55/73/21/571557321.db2.gz FOYMMMUPMGGCKC-WTYVLRPYSA-N 1 2 555.722 3.634 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680890 571557116 /nfs/dbraw/zinc/55/71/16/571557116.db2.gz UAHADDNAMKDBDQ-CCLHPLFOSA-N 1 2 525.696 3.626 50 0 KHAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680890 571557114 /nfs/dbraw/zinc/55/71/14/571557114.db2.gz UAHADDNAMKDBDQ-CCLHPLFOSA-N 1 2 525.696 3.626 50 0 KHAALO CC[N@@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1=O)c1cccc(C)c1 ZINC000169694564 571558871 /nfs/dbraw/zinc/55/88/71/571558871.db2.gz SASZJRGUACUVAM-NHCUHLMSSA-N 1 2 573.785 3.774 50 0 KHAALO CC[N@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1=O)c1cccc(C)c1 ZINC000169694564 571558869 /nfs/dbraw/zinc/55/88/69/571558869.db2.gz SASZJRGUACUVAM-NHCUHLMSSA-N 1 2 573.785 3.774 50 0 KHAALO CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000195529313 1066328133 /nfs/dbraw/zinc/32/81/33/1066328133.db2.gz JNLWXNUPEATLCE-STWLZBDKSA-N 1 2 586.784 3.868 50 0 KHAALO C[C@H]1C[N@H+](C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 ZINC000220197997 571604032 /nfs/dbraw/zinc/60/40/32/571604032.db2.gz WNEODWDFDXWOLU-QHCPKHFHSA-N 1 2 664.811 3.574 50 0 in-vitro KHAALO C[C@H]1C[N@@H+](C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 ZINC000220197997 571604030 /nfs/dbraw/zinc/60/40/30/571604030.db2.gz WNEODWDFDXWOLU-QHCPKHFHSA-N 1 2 664.811 3.574 50 0 in-vitro KHAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000221574394 571604317 /nfs/dbraw/zinc/60/43/17/571604317.db2.gz KDZNBNNSMQHVIF-DFIMXKNXSA-N 1 2 504.970 3.953 50 0 KHAALO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000221574444 571604325 /nfs/dbraw/zinc/60/43/25/571604325.db2.gz KDZNBNNSMQHVIF-QUIZSENMSA-N 1 2 504.970 3.953 50 0 KHAALO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000221574503 571604330 /nfs/dbraw/zinc/60/43/30/571604330.db2.gz KDZNBNNSMQHVIF-MUCKBHKGSA-N 1 2 504.970 3.953 50 0 KHAALO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000221574556 571604323 /nfs/dbraw/zinc/60/43/23/571604323.db2.gz KDZNBNNSMQHVIF-CBUXHAPBSA-N 1 2 504.970 3.953 50 0 KHAALO C[C@@H]1CCCN(CN2c3ccccc3C3(OCC4(CO3)COC3(OC4)c4ccccc4N(C[N@H+]4CCC[C@@H](C)C4)C3=O)C2=O)C1 ZINC000226471336 572138238 /nfs/dbraw/zinc/13/82/38/572138238.db2.gz ARTZRUDETGRHGI-DRBOKDGZSA-N 1 2 616.759 3.844 50 0 KHAALO C[C@@H]1CCCN(CN2c3ccccc3C3(OCC4(CO3)COC3(OC4)c4ccccc4N(C[N@@H+]4CCC[C@@H](C)C4)C3=O)C2=O)C1 ZINC000226471336 572138229 /nfs/dbraw/zinc/13/82/29/572138229.db2.gz ARTZRUDETGRHGI-DRBOKDGZSA-N 1 2 616.759 3.844 50 0 KHAALO Cc1cc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCN([N+](=O)[O-])[C@@H]([NH2+]Cc4ccccc4)C2)C3=O)ccc1Cl ZINC000226760692 572140734 /nfs/dbraw/zinc/14/07/34/572140734.db2.gz UNYDDUCQXKYUGF-GGXMVOPNSA-N 1 2 593.109 3.811 50 0 KHAALO Cc1cc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCN([N+](=O)[O-])[C@@H]([NH2+]Cc4ccccc4)C2)C3=O)ccc1Cl ZINC000226760697 572140674 /nfs/dbraw/zinc/14/06/74/572140674.db2.gz UNYDDUCQXKYUGF-UHSQPCAPSA-N 1 2 593.109 3.811 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930467 572145879 /nfs/dbraw/zinc/14/58/79/572145879.db2.gz YYWTXARKPVSGJI-SUWCGCSTSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930467 572145874 /nfs/dbraw/zinc/14/58/74/572145874.db2.gz YYWTXARKPVSGJI-SUWCGCSTSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930475 572145982 /nfs/dbraw/zinc/14/59/82/572145982.db2.gz YYWTXARKPVSGJI-KCXPTXFHSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930475 572145981 /nfs/dbraw/zinc/14/59/81/572145981.db2.gz YYWTXARKPVSGJI-KCXPTXFHSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930484 572146021 /nfs/dbraw/zinc/14/60/21/572146021.db2.gz YYWTXARKPVSGJI-FBAVSBLXSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930484 572146018 /nfs/dbraw/zinc/14/60/18/572146018.db2.gz YYWTXARKPVSGJI-FBAVSBLXSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930494 572146229 /nfs/dbraw/zinc/14/62/29/572146229.db2.gz BMCKFOUFCLGLHJ-SUWCGCSTSA-N 1 2 520.305 3.899 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930494 572146225 /nfs/dbraw/zinc/14/62/25/572146225.db2.gz BMCKFOUFCLGLHJ-SUWCGCSTSA-N 1 2 520.305 3.899 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930500 572146305 /nfs/dbraw/zinc/14/63/05/572146305.db2.gz BMCKFOUFCLGLHJ-KCXPTXFHSA-N 1 2 520.305 3.899 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930500 572146301 /nfs/dbraw/zinc/14/63/01/572146301.db2.gz BMCKFOUFCLGLHJ-KCXPTXFHSA-N 1 2 520.305 3.899 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930510 572146011 /nfs/dbraw/zinc/14/60/11/572146011.db2.gz BMCKFOUFCLGLHJ-FBAVSBLXSA-N 1 2 520.305 3.899 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930510 572146006 /nfs/dbraw/zinc/14/60/06/572146006.db2.gz BMCKFOUFCLGLHJ-FBAVSBLXSA-N 1 2 520.305 3.899 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930519 572146098 /nfs/dbraw/zinc/14/60/98/572146098.db2.gz XXIGMZDLNOQPQR-SUWCGCSTSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930519 572146095 /nfs/dbraw/zinc/14/60/95/572146095.db2.gz XXIGMZDLNOQPQR-SUWCGCSTSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930527 572146083 /nfs/dbraw/zinc/14/60/83/572146083.db2.gz XXIGMZDLNOQPQR-KCXPTXFHSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930527 572146079 /nfs/dbraw/zinc/14/60/79/572146079.db2.gz XXIGMZDLNOQPQR-KCXPTXFHSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930534 572145893 /nfs/dbraw/zinc/14/58/93/572145893.db2.gz XXIGMZDLNOQPQR-FBAVSBLXSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930534 572145889 /nfs/dbraw/zinc/14/58/89/572145889.db2.gz XXIGMZDLNOQPQR-FBAVSBLXSA-N 1 2 531.204 3.643 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229606627 572155957 /nfs/dbraw/zinc/15/59/57/572155957.db2.gz IIPXIDATKIXOBE-SUWCGCSTSA-N 1 2 504.743 3.673 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229606627 572155953 /nfs/dbraw/zinc/15/59/53/572155953.db2.gz IIPXIDATKIXOBE-SUWCGCSTSA-N 1 2 504.743 3.673 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229606641 572155777 /nfs/dbraw/zinc/15/57/77/572155777.db2.gz IIPXIDATKIXOBE-KCXPTXFHSA-N 1 2 504.743 3.673 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229606641 572155773 /nfs/dbraw/zinc/15/57/73/572155773.db2.gz IIPXIDATKIXOBE-KCXPTXFHSA-N 1 2 504.743 3.673 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229606650 572155936 /nfs/dbraw/zinc/15/59/36/572155936.db2.gz IIPXIDATKIXOBE-FBAVSBLXSA-N 1 2 504.743 3.673 50 0 KHAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229606650 572155932 /nfs/dbraw/zinc/15/59/32/572155932.db2.gz IIPXIDATKIXOBE-FBAVSBLXSA-N 1 2 504.743 3.673 50 0 KHAALO Cc1cc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCN([N+](=O)[O-])[C@H]([NH2+]Cc4ccccc4)C2)C3=O)ccc1Cl ZINC000230106825 572184032 /nfs/dbraw/zinc/18/40/32/572184032.db2.gz UNYDDUCQXKYUGF-WNJJXGMVSA-N 1 2 593.109 3.811 50 0 KHAALO Cc1cc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCN([N+](=O)[O-])[C@H]([NH2+]Cc4ccccc4)C2)C3=O)ccc1Cl ZINC000230106831 572183999 /nfs/dbraw/zinc/18/39/99/572183999.db2.gz UNYDDUCQXKYUGF-LITSAYRRSA-N 1 2 593.109 3.811 50 0 KHAALO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000230199366 572184963 /nfs/dbraw/zinc/18/49/63/572184963.db2.gz WYTMSLGWTKPGMU-QILYDZGSSA-N 1 2 514.003 3.545 50 0 KHAALO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000230199366 572184961 /nfs/dbraw/zinc/18/49/61/572184961.db2.gz WYTMSLGWTKPGMU-QILYDZGSSA-N 1 2 514.003 3.545 50 0 KHAALO O=C(CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)Nc1ccccc1OC(F)(F)F ZINC000244970263 572200996 /nfs/dbraw/zinc/20/09/96/572200996.db2.gz HQENFPJKVRNARN-UHFFFAOYSA-N 1 2 526.515 3.591 50 0 KHAALO CN1c2ccccc2C(=O)[C@@H]([C@@H](c2ccc(-n3cc[nH+]c3)cc2)[C@H]2C(=O)c3ccccc3N(C)C2=O)C1=O ZINC000245237024 572210685 /nfs/dbraw/zinc/21/06/85/572210685.db2.gz CCZINXZSLHCHIN-PBROBROCSA-N 1 2 504.546 3.907 50 0 KHAALO Cc1cc(N2CCN(C(=O)[C@H]3CC[C@H](CNC(=O)CNC(=O)c4ccccc4)CC3)CC2)[nH+]c2ccccc12 ZINC000245257397 572222620 /nfs/dbraw/zinc/22/26/20/572222620.db2.gz ZIQAGLUIMSRRHQ-ALOJWSFFSA-N 1 2 527.669 3.544 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 ZINC000245343041 572237364 /nfs/dbraw/zinc/23/73/64/572237364.db2.gz CRQWXIBZKSRTPM-LEWJYISDSA-N 1 2 507.081 3.667 50 0 KHAALO CC[N@H+](CCCNC(=O)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 ZINC000245343041 572237362 /nfs/dbraw/zinc/23/73/62/572237362.db2.gz CRQWXIBZKSRTPM-LEWJYISDSA-N 1 2 507.081 3.667 50 0 KHAALO CC[N@@H+](CCCNC(=O)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 ZINC000245343042 572237244 /nfs/dbraw/zinc/23/72/44/572237244.db2.gz CRQWXIBZKSRTPM-NHCUHLMSSA-N 1 2 507.081 3.667 50 0 KHAALO CC[N@H+](CCCNC(=O)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 ZINC000245343042 572237241 /nfs/dbraw/zinc/23/72/41/572237241.db2.gz CRQWXIBZKSRTPM-NHCUHLMSSA-N 1 2 507.081 3.667 50 0 KHAALO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@H]1CCCO1 ZINC000245343639 572239425 /nfs/dbraw/zinc/23/94/25/572239425.db2.gz UWRPLLSNNGEQRD-AHKZPQOWSA-N 1 2 506.647 3.647 50 0 KHAALO 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ZINC000575443439 1066490778 /nfs/dbraw/zinc/49/07/78/1066490778.db2.gz ABRPBBZNARBCAH-UHFFFAOYSA-N 1 2 580.689 3.941 50 0 KHAALO O=C(CN1C(=O)c2ccccc2C1=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000575443725 1066491394 /nfs/dbraw/zinc/49/13/94/1066491394.db2.gz KQGBKECBUWARQR-UHFFFAOYSA-N 1 2 566.662 3.551 50 0 KHAALO O=C(CN1C(=O)c2ccccc2C1=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCCCn2cc[nH+]c2)CCSCC1 ZINC000575443921 1066491279 /nfs/dbraw/zinc/49/12/79/1066491279.db2.gz XFUDHZUYJDFLKG-UHFFFAOYSA-N 1 2 598.729 3.504 50 0 KHAALO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCn1cc[nH+]c1 ZINC000604405818 1066508977 /nfs/dbraw/zinc/50/89/77/1066508977.db2.gz RXQMIUBJGJXZHD-CHNYNYQGSA-N 1 2 591.709 3.703 50 0 KHAALO COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604406169 1066508695 /nfs/dbraw/zinc/50/86/95/1066508695.db2.gz XSYKCIHESZSDAM-FQEVSTJZSA-N 1 2 505.527 3.570 50 0 KHAALO 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503.584 3.899 50 0 KHAALO COC(=O)C[C@@H](c1c(-c2ccccc2)nc2sccn21)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604418855 1066509419 /nfs/dbraw/zinc/50/94/19/1066509419.db2.gz KZABCEZKFFHDLD-LJQANCHMSA-N 1 2 503.584 3.899 50 0 KHAALO COC(=O)C[C@@H](c1c(-c2ccccc2)nc2sccn21)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604418855 1066509407 /nfs/dbraw/zinc/50/94/07/1066509407.db2.gz KZABCEZKFFHDLD-LJQANCHMSA-N 1 2 503.584 3.899 50 0 KHAALO O=S(=O)(CCOc1ccccc1)N1CCC([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618255870 1066510208 /nfs/dbraw/zinc/51/02/08/1066510208.db2.gz AVPRILAANIMNCZ-UHFFFAOYSA-N 1 2 533.016 3.749 50 0 KHAALO CC(C)n1cnc(S(=O)(=O)N2CCC([NH+]3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)c1 ZINC000618256637 1066510150 /nfs/dbraw/zinc/51/01/50/1066510150.db2.gz KPPJOEHWXJGXFU-UHFFFAOYSA-N 1 2 521.009 3.507 50 0 KHAALO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+]3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)c(C)c1 ZINC000618256943 1066509904 /nfs/dbraw/zinc/50/99/04/1066509904.db2.gz OMDYTWAKDJHGLZ-UHFFFAOYSA-N 1 2 560.042 3.996 50 0 KHAALO CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1c[nH+]c[nH]1 ZINC000888088602 1066321568 /nfs/dbraw/zinc/32/15/68/1066321568.db2.gz IAZNHZRVNAIBCU-AHWVRZQESA-N 1 2 591.709 3.916 50 0 KHAALO CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1c[nH]c[nH+]1 ZINC000888088602 1066321551 /nfs/dbraw/zinc/32/15/51/1066321551.db2.gz IAZNHZRVNAIBCU-AHWVRZQESA-N 1 2 591.709 3.916 50 0 KHAALO CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1c[nH+]c[nH]1 ZINC000888088603 1066321435 /nfs/dbraw/zinc/32/14/35/1066321435.db2.gz IAZNHZRVNAIBCU-AZGAKELHSA-N 1 2 591.709 3.916 50 0 KHAALO CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1c[nH]c[nH+]1 ZINC000888088603 1066321416 /nfs/dbraw/zinc/32/14/16/1066321416.db2.gz IAZNHZRVNAIBCU-AZGAKELHSA-N 1 2 591.709 3.916 50 0 KHAALO COC(=O)C[C@H](c1c(-c2ccccc2)nc2sccn21)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000888089236 1066323059 /nfs/dbraw/zinc/32/30/59/1066323059.db2.gz PTSGJIQTMSYFDJ-IBGZPJMESA-N 1 2 503.584 3.899 50 0 KHAALO COC(=O)C[C@H](c1c(-c2ccccc2)nc2sccn21)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000888089236 1066323045 /nfs/dbraw/zinc/32/30/45/1066323045.db2.gz PTSGJIQTMSYFDJ-IBGZPJMESA-N 1 2 503.584 3.899 50 0 KHAALO COC(=O)C[C@@H](c1c(-c2ccccc2)nc2sccn21)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000888089237 1066323323 /nfs/dbraw/zinc/32/33/23/1066323323.db2.gz PTSGJIQTMSYFDJ-LJQANCHMSA-N 1 2 503.584 3.899 50 0 KHAALO COC(=O)C[C@@H](c1c(-c2ccccc2)nc2sccn21)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000888089237 1066323302 /nfs/dbraw/zinc/32/33/02/1066323302.db2.gz PTSGJIQTMSYFDJ-LJQANCHMSA-N 1 2 503.584 3.899 50 0 KHAALO COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000888089717 1066324943 /nfs/dbraw/zinc/32/49/43/1066324943.db2.gz AWKGGKXJXWEZQJ-FQEVSTJZSA-N 1 2 505.527 3.570 50 0 KHAALO COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000888089717 1066324928 /nfs/dbraw/zinc/32/49/28/1066324928.db2.gz AWKGGKXJXWEZQJ-FQEVSTJZSA-N 1 2 505.527 3.570 50 0 KHAALO COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000888089718 1066324603 /nfs/dbraw/zinc/32/46/03/1066324603.db2.gz AWKGGKXJXWEZQJ-HXUWFJFHSA-N 1 2 505.527 3.570 50 0 KHAALO COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000888089718 1066324589 /nfs/dbraw/zinc/32/45/89/1066324589.db2.gz AWKGGKXJXWEZQJ-HXUWFJFHSA-N 1 2 505.527 3.570 50 0 KHAALO COc1cc(C[N@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc(OC)c1OC ZINC000952855792 1066516622 /nfs/dbraw/zinc/51/66/22/1066516622.db2.gz ACHADOLOFFOSMJ-SVEHJYQDSA-N 1 2 575.662 3.785 50 0 KHAALO COc1cc(C[N@@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc(OC)c1OC ZINC000952855792 1066516609 /nfs/dbraw/zinc/51/66/09/1066516609.db2.gz ACHADOLOFFOSMJ-SVEHJYQDSA-N 1 2 575.662 3.785 50 0 KHAALO COCCCN1CC(=O)N[C@H]2CN(Cc3c[nH]c(C)[nH+]3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952855942 1066516509 /nfs/dbraw/zinc/51/65/09/1066516509.db2.gz UVUAGFGBFJSFEK-URLMMPGGSA-N 1 2 605.736 3.606 50 0 KHAALO COCCCN1CC(=O)N[C@H]2CN(Cc3c[nH+]c(C)[nH]3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952855942 1066516499 /nfs/dbraw/zinc/51/64/99/1066516499.db2.gz UVUAGFGBFJSFEK-URLMMPGGSA-N 1 2 605.736 3.606 50 0 KHAALO COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(Cn4cc[nH+]c4)o3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952856051 1066516666 /nfs/dbraw/zinc/51/66/66/1066516666.db2.gz FJGODLLLDDSOIH-IUDBTDONSA-N 1 2 639.709 3.789 50 0 KHAALO COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)C3(Cn4cc[nH+]c4)CC3)C[C@@H]1NC(=O)CC2 ZINC000952857521 1066519347 /nfs/dbraw/zinc/51/93/47/1066519347.db2.gz JKKYYYKEYICEIR-LOSJGSFVSA-N 1 2 530.625 3.713 50 0 KHAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3cccc(F)c3OC)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857534 1066519430 /nfs/dbraw/zinc/51/94/30/1066519430.db2.gz PRLHEWYSTIHMRC-KYJUHHDHSA-N 1 2 622.694 3.854 50 0 KHAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3cccc(F)c3OC)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857534 1066519420 /nfs/dbraw/zinc/51/94/20/1066519420.db2.gz PRLHEWYSTIHMRC-KYJUHHDHSA-N 1 2 622.694 3.854 50 0 KHAALO CCc1ccc(C[N@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952857626 1066519971 /nfs/dbraw/zinc/51/99/71/1066519971.db2.gz SCXVJRPPQFORMC-LSYYVWMOSA-N 1 2 505.615 3.974 50 0 KHAALO CCc1ccc(C[N@@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952857626 1066519964 /nfs/dbraw/zinc/51/99/64/1066519964.db2.gz SCXVJRPPQFORMC-LSYYVWMOSA-N 1 2 505.615 3.974 50 0 KHAALO COCCCN1CC(=O)N[C@H]2C[N@H+](Cc3cc(C)no3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857834 1066519894 /nfs/dbraw/zinc/51/98/94/1066519894.db2.gz VXLVNXDBPIXHPL-WUFINQPMSA-N 1 2 564.683 3.912 50 0 KHAALO COCCCN1CC(=O)N[C@H]2C[N@@H+](Cc3cc(C)no3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857834 1066519889 /nfs/dbraw/zinc/51/98/89/1066519889.db2.gz VXLVNXDBPIXHPL-WUFINQPMSA-N 1 2 564.683 3.912 50 0 KHAALO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@@H+](Cc3cc(C4CC4)n[nH]3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952861470 1066521567 /nfs/dbraw/zinc/52/15/67/1066521567.db2.gz AVKZZYHPLWMNKT-VMPREFPWSA-N 1 2 559.667 3.888 50 0 KHAALO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@H+](Cc3cc(C4CC4)n[nH]3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952861470 1066521553 /nfs/dbraw/zinc/52/15/53/1066521553.db2.gz AVKZZYHPLWMNKT-VMPREFPWSA-N 1 2 559.667 3.888 50 0 KHAALO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@@H+](Cc3cc(C)no3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861649 1066521699 /nfs/dbraw/zinc/52/16/99/1066521699.db2.gz GMAMYPBGDDMVEQ-RRPNLBNLSA-N 1 2 534.613 3.536 50 0 KHAALO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@H+](Cc3cc(C)no3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861649 1066521689 /nfs/dbraw/zinc/52/16/89/1066521689.db2.gz GMAMYPBGDDMVEQ-RRPNLBNLSA-N 1 2 534.613 3.536 50 0 KHAALO COc1cc2c(cc1C[N@H+]1C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C1)OCCCO2 ZINC000952862078 1066522450 /nfs/dbraw/zinc/52/24/50/1066522450.db2.gz JXYZOESKOXPZIQ-HVNZXBJASA-N 1 2 587.673 3.929 50 0 KHAALO COc1cc2c(cc1C[N@@H+]1C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C1)OCCCO2 ZINC000952862078 1066522440 /nfs/dbraw/zinc/52/24/40/1066522440.db2.gz JXYZOESKOXPZIQ-HVNZXBJASA-N 1 2 587.673 3.929 50 0 KHAALO COc1ccc(C[N@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1O ZINC000952862305 1066522570 /nfs/dbraw/zinc/52/25/70/1066522570.db2.gz IDNUXWJEPRRLGC-OUTSHDOLSA-N 1 2 533.625 3.533 50 0 KHAALO COc1ccc(C[N@@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1O ZINC000952862305 1066522564 /nfs/dbraw/zinc/52/25/64/1066522564.db2.gz IDNUXWJEPRRLGC-OUTSHDOLSA-N 1 2 533.625 3.533 50 0 KHAALO COCCN1CC(=O)N[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952862343 1066522476 /nfs/dbraw/zinc/52/24/76/1066522476.db2.gz OEBAMISJPGHKNB-SVBPBHIXSA-N 1 2 584.595 3.881 50 0 KHAALO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952862343 1066522469 /nfs/dbraw/zinc/52/24/69/1066522469.db2.gz OEBAMISJPGHKNB-SVBPBHIXSA-N 1 2 584.595 3.881 50 0 KHAALO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@@H+](Cc3ccc(C(=O)N(C)C)o3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863144 1066524627 /nfs/dbraw/zinc/52/46/27/1066524627.db2.gz BXKPBGWWLPWOLE-WUFINQPMSA-N 1 2 590.677 3.534 50 0 KHAALO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@H+](Cc3ccc(C(=O)N(C)C)o3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863144 1066524618 /nfs/dbraw/zinc/52/46/18/1066524618.db2.gz BXKPBGWWLPWOLE-WUFINQPMSA-N 1 2 590.677 3.534 50 0 KHAALO COc1ccc(C[N@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c(OC)c1OC ZINC000952863781 1066526098 /nfs/dbraw/zinc/52/60/98/1066526098.db2.gz FXOBLBOHZCPACS-LSYYVWMOSA-N 1 2 575.662 3.785 50 0 KHAALO COc1ccc(C[N@@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c(OC)c1OC ZINC000952863781 1066526093 /nfs/dbraw/zinc/52/60/93/1066526093.db2.gz FXOBLBOHZCPACS-LSYYVWMOSA-N 1 2 575.662 3.785 50 0 KHAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3ccncc3Cl)C[C@@H]1OCc1cccc(c1)O2 ZINC000952863939 1066526074 /nfs/dbraw/zinc/52/60/74/1066526074.db2.gz FAAVGXGIQGHHHQ-VMPREFPWSA-N 1 2 610.111 3.755 50 0 KHAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3ccncc3Cl)C[C@@H]1OCc1cccc(c1)O2 ZINC000952863939 1066526067 /nfs/dbraw/zinc/52/60/67/1066526067.db2.gz FAAVGXGIQGHHHQ-VMPREFPWSA-N 1 2 610.111 3.755 50 0 KHAALO Cc1[nH+]c(CN2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)n(C)c1C ZINC000952864644 1066527384 /nfs/dbraw/zinc/52/73/84/1066527384.db2.gz NWGWLNSGFQLYTP-NSOVKSMOSA-N 1 2 515.658 3.693 50 0 KHAALO CCc1ccc(C[N@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)nc1 ZINC000952865095 1066528034 /nfs/dbraw/zinc/52/80/34/1066528034.db2.gz NUCFTFWEKLYRAW-XCZPVHLTSA-N 1 2 514.626 3.716 50 0 KHAALO CCc1ccc(C[N@@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)nc1 ZINC000952865095 1066528024 /nfs/dbraw/zinc/52/80/24/1066528024.db2.gz NUCFTFWEKLYRAW-XCZPVHLTSA-N 1 2 514.626 3.716 50 0 KHAALO COCCCN1CC(=O)N[C@H]2C[N@@H+](Cc3nccnc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865190 1066528620 /nfs/dbraw/zinc/52/86/20/1066528620.db2.gz VAXLPDPNHUBNFA-XZWHSSHBSA-N 1 2 617.747 3.673 50 0 KHAALO COCCCN1CC(=O)N[C@H]2C[N@H+](Cc3nccnc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865190 1066528615 /nfs/dbraw/zinc/52/86/15/1066528615.db2.gz VAXLPDPNHUBNFA-XZWHSSHBSA-N 1 2 617.747 3.673 50 0 KHAALO COc1cc(C[N@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc2c1OCO2 ZINC000952865432 1066529152 /nfs/dbraw/zinc/52/91/52/1066529152.db2.gz QKWPWWUSSPTZOQ-OUTSHDOLSA-N 1 2 561.635 3.556 50 0 KHAALO COc1cc(C[N@@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc2c1OCO2 ZINC000952865432 1066529146 /nfs/dbraw/zinc/52/91/46/1066529146.db2.gz QKWPWWUSSPTZOQ-OUTSHDOLSA-N 1 2 561.635 3.556 50 0 KHAALO CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC[N@@H+](Cc2ccc(F)cc2Cl)CCNC1=O ZINC000952865439 1066529052 /nfs/dbraw/zinc/52/90/52/1066529052.db2.gz QOLZIMFIOWMAAZ-RUZDIDTESA-N 1 2 575.060 3.608 50 0 KHAALO CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC[N@H+](Cc2ccc(F)cc2Cl)CCNC1=O ZINC000952865439 1066529040 /nfs/dbraw/zinc/52/90/40/1066529040.db2.gz QOLZIMFIOWMAAZ-RUZDIDTESA-N 1 2 575.060 3.608 50 0 KHAALO COc1cc2c(cc1C[N@H+]1C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C1)OCCO2 ZINC000952865492 1066529008 /nfs/dbraw/zinc/52/90/08/1066529008.db2.gz ZJKJKCQVNIMTID-QCDSWUKFSA-N 1 2 573.646 3.539 50 0 KHAALO COc1cc2c(cc1C[N@@H+]1C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C1)OCCO2 ZINC000952865492 1066528997 /nfs/dbraw/zinc/52/89/97/1066528997.db2.gz ZJKJKCQVNIMTID-QCDSWUKFSA-N 1 2 573.646 3.539 50 0 KHAALO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@@H+](Cc3ncccc3OC)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865641 1066529698 /nfs/dbraw/zinc/52/96/98/1066529698.db2.gz TYAWFJNQPCHLHB-YTMVLYRLSA-N 1 2 560.651 3.691 50 0 KHAALO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@H+](Cc3ncccc3OC)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865641 1066529692 /nfs/dbraw/zinc/52/96/92/1066529692.db2.gz TYAWFJNQPCHLHB-YTMVLYRLSA-N 1 2 560.651 3.691 50 0 KHAALO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)C[N@H+]3CCOc4ccccc4C3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865767 1066529718 /nfs/dbraw/zinc/52/97/18/1066529718.db2.gz VKVKOYLPGHDPQV-CDZUIXILSA-N 1 2 628.726 3.508 50 0 KHAALO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)C[N@@H+]3CCOc4ccccc4C3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865767 1066529713 /nfs/dbraw/zinc/52/97/13/1066529713.db2.gz VKVKOYLPGHDPQV-CDZUIXILSA-N 1 2 628.726 3.508 50 0 KHAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865916 1066529584 /nfs/dbraw/zinc/52/95/84/1066529584.db2.gz VHRUUDGQJDACSU-OUTSHDOLSA-N 1 2 531.609 3.547 50 0 KHAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865916 1066529574 /nfs/dbraw/zinc/52/95/74/1066529574.db2.gz VHRUUDGQJDACSU-OUTSHDOLSA-N 1 2 531.609 3.547 50 0 KHAALO COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)C[N@@H+](C)Cc3ccncc3)C[C@@H]1NC(=O)CC2 ZINC000952866039 1066530096 /nfs/dbraw/zinc/53/00/96/1066530096.db2.gz XQMFORVGCIJQSM-RRPNLBNLSA-N 1 2 544.652 3.563 50 0 KHAALO COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)C[N@H+](C)Cc3ccncc3)C[C@@H]1NC(=O)CC2 ZINC000952866039 1066530085 /nfs/dbraw/zinc/53/00/85/1066530085.db2.gz XQMFORVGCIJQSM-RRPNLBNLSA-N 1 2 544.652 3.563 50 0 KHAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](Cc3ccc(F)c(OC)c3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952868409 1066525451 /nfs/dbraw/zinc/52/54/51/1066525451.db2.gz NHWSHAPEMJNSOK-SVEHJYQDSA-N 1 2 535.616 3.966 50 0 KHAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](Cc3ccc(F)c(OC)c3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952868409 1066525439 /nfs/dbraw/zinc/52/54/39/1066525439.db2.gz NHWSHAPEMJNSOK-SVEHJYQDSA-N 1 2 535.616 3.966 50 0 KHAALO