smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001540656 561676998 /nfs/dbraw/zinc/67/69/98/561676998.db2.gz KYKGECIXEATTSM-MHZLTWQESA-N 0 3 509.672 4.829 1 0 KJAFHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000001540657 561677037 /nfs/dbraw/zinc/67/70/37/561677037.db2.gz KYKGECIXEATTSM-HHHXNRCGSA-N 0 3 509.672 4.829 1 0 KJAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc2)c(Cl)c1 ZINC000001727762 561679375 /nfs/dbraw/zinc/67/93/75/561679375.db2.gz BWSPUQAAKXWTTA-UHFFFAOYSA-N 0 3 548.452 4.526 1 0 KJAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3cccc(Cl)c3)cc2)c(Cl)c1 ZINC000001727764 561679352 /nfs/dbraw/zinc/67/93/52/561679352.db2.gz AFRALTBVZXFIJD-UHFFFAOYSA-N 0 3 548.452 4.526 1 0 KJAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3cccc(C(F)(F)F)c3)cc2)c(Cl)c1 ZINC000001727969 561679319 /nfs/dbraw/zinc/67/93/19/561679319.db2.gz PKLGQTUCHQZNQO-UHFFFAOYSA-N 0 3 582.004 4.891 1 0 KJAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccccc3Cl)cc2)c(Cl)c1 ZINC000001727975 561679537 /nfs/dbraw/zinc/67/95/37/561679537.db2.gz WYCUZHWJRDYIRP-UHFFFAOYSA-N 0 3 548.452 4.526 1 0 KJAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccccc3C(F)(F)F)cc2)c(Cl)c1 ZINC000001728480 561679521 /nfs/dbraw/zinc/67/95/21/561679521.db2.gz WAGOLMNHOYAJPC-UHFFFAOYSA-N 0 3 582.004 4.891 1 0 KJAFHN Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1 ZINC000003831733 561683555 /nfs/dbraw/zinc/68/35/55/561683555.db2.gz WKDSOFLIZLFPJH-LITSAYRRSA-N 0 3 571.722 4.613 1 0 KJAFHN CCCCc1nc2ccc([C@@](C)(O)C[C@H]3CCC[NH2+]3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003843030 561684251 /nfs/dbraw/zinc/68/42/51/561684251.db2.gz VQPDDMBHASYCNG-HPMVVLTCSA-N 0 3 563.706 4.984 1 0 KJAFHN CCCCc1nc2ccc([C@@](C)(O)C[C@H]3CCC[NH2+]3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003843030 561684250 /nfs/dbraw/zinc/68/42/50/561684250.db2.gz VQPDDMBHASYCNG-HPMVVLTCSA-N 0 3 563.706 4.984 1 0 KJAFHN O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000003919988 561685636 /nfs/dbraw/zinc/68/56/36/561685636.db2.gz RMGMDUBCJBBNJO-HKBQPEDESA-N 0 3 591.778 4.961 1 0 KJAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000003923969 561686243 /nfs/dbraw/zinc/68/62/43/561686243.db2.gz BPFXSWYKPOABFN-PMERELPUSA-N 0 3 622.673 4.938 1 0 KJAFHN O=c1cc(NCCCN[C@@H]2CCOc3c(I)cc(Cl)cc32)[nH]c2ccccc12 ZINC000003925582 561686514 /nfs/dbraw/zinc/68/65/14/561686514.db2.gz ILZKSAPJCKJDGI-QGZVFWFLSA-N 0 3 509.775 4.702 1 0 KJAFHN CCc1cc(I)c2c(c1)[C@H](NCCCNc1cc(=O)c3ccccc3[nH]1)CCN2 ZINC000003925586 561686504 /nfs/dbraw/zinc/68/65/04/561686504.db2.gz HXYAFIKGAHUOHV-LJQANCHMSA-N 0 3 502.400 4.644 1 0 KJAFHN O=c1cc(NCCCN[C@@H]2CCOc3c(Cl)cc(I)cc32)[nH]c2ccccc12 ZINC000003925589 561686578 /nfs/dbraw/zinc/68/65/78/561686578.db2.gz ZMEOOFNSEGBFRE-QGZVFWFLSA-N 0 3 509.775 4.702 1 0 KJAFHN O=c1cc(NCCCN[C@@H]2CCOc3c(Br)cc(Br)cc32)[nH]c2ccccc12 ZINC000003925593 561686540 /nfs/dbraw/zinc/68/65/40/561686540.db2.gz NTPXQYNTBSMLKA-QGZVFWFLSA-N 0 3 507.226 4.969 1 0 KJAFHN CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1 ZINC000003941540 561689277 /nfs/dbraw/zinc/68/92/77/561689277.db2.gz FMKJJNOFXVDHKH-UHFFFAOYSA-N 0 3 562.671 4.704 1 0 KJAFHN CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000003941541 561689272 /nfs/dbraw/zinc/68/92/72/561689272.db2.gz YNAWKCAJCGIVQB-UHFFFAOYSA-N 0 3 520.655 4.746 1 0 KJAFHN COc1cc2c(cc1OCCCN1CCC(CO)CC1)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)s1 ZINC000003948750 561690240 /nfs/dbraw/zinc/69/02/40/561690240.db2.gz QNJAKUMXJFWQOG-UHFFFAOYSA-N 0 3 580.686 4.632 1 0 in-vitro KJAFHN CS(=O)(=O)N[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003949916 561690291 /nfs/dbraw/zinc/69/02/91/561690291.db2.gz QTHFFZVJRFWNKK-QHCPKHFHSA-N 0 3 589.602 4.709 1 0 KJAFHN COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O ZINC000003954792 561690860 /nfs/dbraw/zinc/69/08/60/561690860.db2.gz AYXYFVWLDFTBIK-UHFFFAOYSA-N 0 3 571.593 4.638 1 0 KJAFHN Clc1ccc2c(c1Nc1ncnc3cc(OCCN4CCCC4)cc(OC4CCOCC4)c31)OCO2 ZINC000003965486 561691562 /nfs/dbraw/zinc/69/15/62/561691562.db2.gz QPKZNXSXCNZSDC-UHFFFAOYSA-N 0 3 512.994 4.788 1 0 KJAFHN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000003982658 561692607 /nfs/dbraw/zinc/69/26/07/561692607.db2.gz KCVLHOGZZRHCEW-SVBPBHIXSA-N 0 3 604.883 4.876 1 0 KJAFHN CCOC(=O)CCN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2ccncc2)CC1 ZINC000003992099 561693402 /nfs/dbraw/zinc/69/34/02/561693402.db2.gz BPMZBEJQLCBOPO-UHFFFAOYSA-N 0 3 558.100 4.503 1 0 KJAFHN Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c1=O ZINC000003993271 561693563 /nfs/dbraw/zinc/69/35/63/561693563.db2.gz NVAHQQYCEWEDKM-UHFFFAOYSA-N 0 3 651.155 4.921 1 0 KJAFHN O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000004394091 561694857 /nfs/dbraw/zinc/69/48/57/561694857.db2.gz YGBQCFLXRKHUQM-RSEQLOHWSA-N 0 3 518.585 4.960 1 0 KJAFHN O[C@@H](COc1cccc2[nH]ccc21)CN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000004394093 561694923 /nfs/dbraw/zinc/69/49/23/561694923.db2.gz YGBQCFLXRKHUQM-PWWKTKHKSA-N 0 3 518.585 4.960 1 0 KJAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000004401730 561694875 /nfs/dbraw/zinc/69/48/75/561694875.db2.gz DGEILIRHSDUTDK-XTEPFMGCSA-N 0 3 636.712 4.698 1 0 in-vivo KJAFHN O=C([N-]CCC[NH+](CCCC[N@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000005834397 561698938 /nfs/dbraw/zinc/69/89/38/561698938.db2.gz UKFOLUNVLQWPHJ-UHFFFAOYSA-N 0 3 574.610 4.908 1 0 KJAFHN O=C([N-]CCC[NH+](CCCC[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000005834397 561698937 /nfs/dbraw/zinc/69/89/37/561698937.db2.gz UKFOLUNVLQWPHJ-UHFFFAOYSA-N 0 3 574.610 4.908 1 0 KJAFHN CC[C@@H]1C[C@@H]2CN3CCc4c5cc(OC)ccc5[nH]c4[C@](COC(=O)c4ccc(OC)c(OC)c4)(C2)[C@@H]13 ZINC000005884492 561699953 /nfs/dbraw/zinc/69/99/53/561699953.db2.gz VWFYUUBLQUOKET-MHRINIEPSA-N 0 3 504.627 4.965 1 0 KJAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000008593361 561705981 /nfs/dbraw/zinc/70/59/81/561705981.db2.gz RLXSTKMJOKYINQ-UHFFFAOYSA-N 0 3 576.672 4.793 1 0 KJAFHN O=c1cc(NCCCN[C@H]2CCOc3c(Br)cc(Br)cc32)[nH]c2ccccc12 ZINC000009133114 561708859 /nfs/dbraw/zinc/70/88/59/561708859.db2.gz NTPXQYNTBSMLKA-KRWDZBQOSA-N 0 3 507.226 4.969 1 0 KJAFHN Clc1ccc(N2CCN(Cc3cnn4c3cccc4N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000013438668 561712236 /nfs/dbraw/zinc/71/22/36/561712236.db2.gz GYWHDZIJHYATFG-UHFFFAOYSA-N 0 3 501.078 4.632 1 0 KJAFHN Cc1nn2c(cccc2N2CCN(Cc3ccccc3)CC2)c1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000013438671 561712245 /nfs/dbraw/zinc/71/22/45/561712245.db2.gz OHHKPQVUUXXVGV-UHFFFAOYSA-N 0 3 515.105 4.941 1 0 KJAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013479346 561715002 /nfs/dbraw/zinc/71/50/02/561715002.db2.gz VAJOGYQUKHOXAR-FEERPNRMSA-N 0 3 522.736 4.636 1 0 KJAFHN CN(C[C@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013479347 561714998 /nfs/dbraw/zinc/71/49/98/561714998.db2.gz VAJOGYQUKHOXAR-LHAPQZOASA-N 0 3 522.736 4.636 1 0 KJAFHN O=c1cc(NCCCNCc2cc(Br)cc(I)c2)[nH]c2ccccc12 ZINC000013487761 561715255 /nfs/dbraw/zinc/71/52/55/561715255.db2.gz ITVZWSVEAMQSDF-UHFFFAOYSA-N 0 3 512.189 4.899 1 0 KJAFHN CCOc1c(I)cc(COC)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487781 561715279 /nfs/dbraw/zinc/71/52/79/561715279.db2.gz JLDVWHYENOPQNP-UHFFFAOYSA-N 0 3 521.399 4.682 1 0 KJAFHN CCOc1c(I)cc(OC)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487782 561715232 /nfs/dbraw/zinc/71/52/32/561715232.db2.gz AFPDWMDEFWFAIL-UHFFFAOYSA-N 0 3 507.372 4.544 1 0 KJAFHN CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(I)cc1COC ZINC000013487791 561715224 /nfs/dbraw/zinc/71/52/24/561715224.db2.gz ZISJTWSICOZEBZ-UHFFFAOYSA-N 0 3 521.399 4.682 1 0 KJAFHN CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(I)cc1OC ZINC000013487795 561715338 /nfs/dbraw/zinc/71/53/38/561715338.db2.gz BPMODLWXRFWTRG-UHFFFAOYSA-N 0 3 507.372 4.544 1 0 KJAFHN O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1 ZINC000013489675 561715887 /nfs/dbraw/zinc/71/58/87/561715887.db2.gz WAGLEYZONOCKDK-IZLXSDGUSA-N 0 3 513.711 4.774 1 0 KJAFHN CN(C[C@@H](CCN1CCC(O)(c2ncc[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534606 561717896 /nfs/dbraw/zinc/71/78/96/561717896.db2.gz FWWHFXOSLSCPHG-OAQYLSRUSA-N 0 3 501.458 4.946 1 0 KJAFHN CN(C[C@H](CCN1CCC(O)(c2ncc[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534611 561717872 /nfs/dbraw/zinc/71/78/72/561717872.db2.gz FWWHFXOSLSCPHG-NRFANRHFSA-N 0 3 501.458 4.946 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)N(C)Cc3ccccc3)c2=O)c1 ZINC000013553284 561718265 /nfs/dbraw/zinc/71/82/65/561718265.db2.gz IPCZJLSGFREFJV-HXUWFJFHSA-N 0 3 519.592 4.841 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)N(C)Cc3ccccc3)c2=O)c1 ZINC000013553285 561718284 /nfs/dbraw/zinc/71/82/84/561718284.db2.gz IPCZJLSGFREFJV-FQEVSTJZSA-N 0 3 519.592 4.841 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCc3ccccc3)c2=O)c1 ZINC000013553288 561718333 /nfs/dbraw/zinc/71/83/33/561718333.db2.gz VXBUHYDJOPKQGI-IBGZPJMESA-N 0 3 505.565 4.671 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccccc3)c2=O)c1 ZINC000013553289 561718252 /nfs/dbraw/zinc/71/82/52/561718252.db2.gz VXBUHYDJOPKQGI-LJQANCHMSA-N 0 3 505.565 4.671 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCc3ccccc3C)c2=O)c1 ZINC000013553300 561718235 /nfs/dbraw/zinc/71/82/35/561718235.db2.gz KAXKWVLLPWTTSQ-FQEVSTJZSA-N 0 3 519.592 4.980 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccccc3C)c2=O)c1 ZINC000013553301 561718342 /nfs/dbraw/zinc/71/83/42/561718342.db2.gz KAXKWVLLPWTTSQ-HXUWFJFHSA-N 0 3 519.592 4.980 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCc3ccccc3F)c2=O)c1 ZINC000013553302 561718249 /nfs/dbraw/zinc/71/82/49/561718249.db2.gz VUIUYLRWRNMOSS-SFHVURJKSA-N 0 3 523.555 4.810 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccccc3F)c2=O)c1 ZINC000013553303 561718337 /nfs/dbraw/zinc/71/83/37/561718337.db2.gz VUIUYLRWRNMOSS-GOSISDBHSA-N 0 3 523.555 4.810 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3cccc(F)c3)c2=O)c1 ZINC000013553304 561718256 /nfs/dbraw/zinc/71/82/56/561718256.db2.gz BNVVTOQKKGNWTP-GOSISDBHSA-N 0 3 523.555 4.810 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccc(F)cc3)c2=O)c1 ZINC000013553305 561718472 /nfs/dbraw/zinc/71/84/72/561718472.db2.gz TXQOGQDMBNSQEW-GOSISDBHSA-N 0 3 523.555 4.810 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H]3CCN(Cc4ccccc4)C3)c2=O)c1 ZINC000013553308 561718463 /nfs/dbraw/zinc/71/84/63/561718463.db2.gz HXIPSJVVGOYXPH-HSZRJFAPSA-N 0 3 517.576 4.768 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H]3CCN(Cc4ccccc4)C3)c2=O)c1 ZINC000013553309 561718441 /nfs/dbraw/zinc/71/84/41/561718441.db2.gz HXIPSJVVGOYXPH-QHCPKHFHSA-N 0 3 517.576 4.768 1 0 KJAFHN Cc1c(-c2cccc(Cl)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559585 561719480 /nfs/dbraw/zinc/71/94/80/561719480.db2.gz YGUJDFKDMMOLLH-UHFFFAOYSA-N 0 3 524.999 4.535 1 0 KJAFHN C=Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1 ZINC000013559588 561719506 /nfs/dbraw/zinc/71/95/06/561719506.db2.gz UGLFKYQXIPZTIE-UHFFFAOYSA-N 0 3 516.592 4.524 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)NCc3ccccc3)c2=O)c1F ZINC000013559589 561719477 /nfs/dbraw/zinc/71/94/77/561719477.db2.gz OGZRDFCFZJLDGT-SFHVURJKSA-N 0 3 523.555 4.638 1 0 KJAFHN COc1ccccc1N1CCN(CCCCn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000013583190 561720156 /nfs/dbraw/zinc/72/01/56/561720156.db2.gz AOMPLZSTGKLXGE-UHFFFAOYSA-N 0 3 522.093 4.719 1 0 KJAFHN N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c(Br)[nH]1 ZINC000013583517 561720319 /nfs/dbraw/zinc/72/03/19/561720319.db2.gz ZOOZSJDDSQWMQP-GOTSBHOMSA-N 0 3 517.427 4.741 1 0 KJAFHN Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)CCCC5)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013586584 561720519 /nfs/dbraw/zinc/72/05/19/561720519.db2.gz ZCJXLAJPRZNEBL-OUDZLNJNSA-N 0 3 508.662 4.820 1 0 KJAFHN CCN(CC)Cc1cccc(NC(=O)CN2CCCC[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1 ZINC000013588665 561721232 /nfs/dbraw/zinc/72/12/32/561721232.db2.gz VKRLWYNKNPYLMT-GDLZYMKVSA-N 0 3 526.681 4.945 1 0 KJAFHN CCN(CC)Cc1cccc(NC(=O)CN2CCCC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1 ZINC000013588666 561721253 /nfs/dbraw/zinc/72/12/53/561721253.db2.gz VKRLWYNKNPYLMT-LJAQVGFWSA-N 0 3 526.681 4.945 1 0 KJAFHN COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2cncc(C(=O)NCCN(C)C)c2)cc1 ZINC000013589538 561721357 /nfs/dbraw/zinc/72/13/57/561721357.db2.gz SEGSQKVNLZOYPP-UHFFFAOYSA-N 0 3 517.508 4.837 1 0 KJAFHN CN(C)CCN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)C1=O ZINC000013606619 561721695 /nfs/dbraw/zinc/72/16/95/561721695.db2.gz OQOSJOKFEMDDPM-MHZLTWQESA-N 0 3 523.464 4.814 1 0 KJAFHN CN(C)CCN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)CCc2ccc(Cl)cc2Cl)C1=O ZINC000013606622 561721703 /nfs/dbraw/zinc/72/17/03/561721703.db2.gz OQOSJOKFEMDDPM-HHHXNRCGSA-N 0 3 523.464 4.814 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](c3ccccc3)N(C)C)c2=O)c1F ZINC000013609599 561721890 /nfs/dbraw/zinc/72/18/90/561721890.db2.gz NAKAWVWXVKWSQY-DEOSSOPVSA-N 0 3 523.555 4.763 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](c3ccccc3)N(C)C)c2=O)c1F ZINC000013609602 561721854 /nfs/dbraw/zinc/72/18/54/561721854.db2.gz NAKAWVWXVKWSQY-XMMPIXPASA-N 0 3 523.555 4.763 1 0 KJAFHN Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1Br ZINC000013609698 561721874 /nfs/dbraw/zinc/72/18/74/561721874.db2.gz OYALGIIVXJYVSL-QHCPKHFHSA-N 0 3 508.391 4.635 1 0 KJAFHN CC(=O)Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1 ZINC000013643357 561722272 /nfs/dbraw/zinc/72/22/72/561722272.db2.gz VETSMHJHAVKZAN-UHFFFAOYSA-N 0 3 507.034 4.961 1 0 KJAFHN NC(=O)c1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643387 561722341 /nfs/dbraw/zinc/72/23/41/561722341.db2.gz RAVOKSWRPDYRAE-UHFFFAOYSA-N 0 3 527.452 4.755 1 0 KJAFHN NC(=O)c1cc(OCCc2ccc(Cl)cc2Cl)cc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000013643389 561722345 /nfs/dbraw/zinc/72/23/45/561722345.db2.gz ZKSQIMPBUMVRHT-UHFFFAOYSA-N 0 3 527.452 4.755 1 0 KJAFHN CCN(Cc1ccccc1OC)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000013746518 561726761 /nfs/dbraw/zinc/72/67/61/561726761.db2.gz YSNJFMSCCAMDGK-MUUNZHRXSA-N 0 3 539.724 4.548 1 0 KJAFHN CCN(Cc1ccccc1OC)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000013746521 561726727 /nfs/dbraw/zinc/72/67/27/561726727.db2.gz YSNJFMSCCAMDGK-NDEPHWFRSA-N 0 3 539.724 4.548 1 0 KJAFHN c1cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(N4CCN(Cc5ccccc5)CC4)nc3n2c1 ZINC000013762462 561728159 /nfs/dbraw/zinc/72/81/59/561728159.db2.gz DEMZYMHKNNMIGU-UHFFFAOYSA-N 0 3 517.681 4.527 1 0 KJAFHN CN1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000013778942 561728761 /nfs/dbraw/zinc/72/87/61/561728761.db2.gz MMVLVRLMGLVJPZ-AREMUKBSSA-N 0 3 531.926 4.562 1 0 KJAFHN CN1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000013778944 561728765 /nfs/dbraw/zinc/72/87/65/561728765.db2.gz MMVLVRLMGLVJPZ-SANMLTNESA-N 0 3 531.926 4.562 1 0 KJAFHN Cc1cc([C@H]2SCC(=O)N2CCCN(C)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000013799721 561730437 /nfs/dbraw/zinc/73/04/37/561730437.db2.gz QBWGTTJGMDRQGX-AREMUKBSSA-N 0 3 500.661 4.702 1 0 KJAFHN Cc1cc([C@@H]2SCC(=O)N2CCCN(C)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000013799725 561730425 /nfs/dbraw/zinc/73/04/25/561730425.db2.gz QBWGTTJGMDRQGX-SANMLTNESA-N 0 3 500.661 4.702 1 0 KJAFHN CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C ZINC000013809153 561731592 /nfs/dbraw/zinc/73/15/92/561731592.db2.gz JNWYRENLYPYLET-AREMUKBSSA-N 0 3 514.592 4.802 1 0 KJAFHN CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C ZINC000013809155 561731597 /nfs/dbraw/zinc/73/15/97/561731597.db2.gz JNWYRENLYPYLET-SANMLTNESA-N 0 3 514.592 4.802 1 0 KJAFHN CCOc1cccc(OCC)c1N1CCN(CCC2CCN(C[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000013813737 561731836 /nfs/dbraw/zinc/73/18/36/561731836.db2.gz HEDSIQXYSQYELN-HSZRJFAPSA-N 0 3 509.647 4.668 1 0 KJAFHN CCOc1cccc(OCC)c1N1CCN(CCC2CCN(C[C@H]3COc4ccccc4O3)CC2)C1=O ZINC000013813741 561731876 /nfs/dbraw/zinc/73/18/76/561731876.db2.gz HEDSIQXYSQYELN-QHCPKHFHSA-N 0 3 509.647 4.668 1 0 KJAFHN COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)CCc3ccc(OC)c(OC)c3)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000014087481 561736198 /nfs/dbraw/zinc/73/61/98/561736198.db2.gz BTSZXDXHHITHKY-IHLOFXLRSA-N 0 3 564.704 4.999 1 0 KJAFHN CS(=O)(=O)N[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014191043 561737385 /nfs/dbraw/zinc/73/73/85/561737385.db2.gz QTHFFZVJRFWNKK-HSZRJFAPSA-N 0 3 589.602 4.709 1 0 KJAFHN CCCCc1nc2ccc([C@](C)(O)C[C@H]3CCC[NH2+]3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014278816 561739036 /nfs/dbraw/zinc/73/90/36/561739036.db2.gz VQPDDMBHASYCNG-INJOXJOKSA-N 0 3 563.706 4.984 1 0 KJAFHN CCCCc1nc2ccc([C@](C)(O)C[C@H]3CCC[NH2+]3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014278816 561739034 /nfs/dbraw/zinc/73/90/34/561739034.db2.gz VQPDDMBHASYCNG-INJOXJOKSA-N 0 3 563.706 4.984 1 0 KJAFHN CC(C)([NH3+])CC(=O)N[C@@H]1CCc2c3ccccc3ccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000014294796 561739356 /nfs/dbraw/zinc/73/93/56/561739356.db2.gz NNZKRDMTHUGYPF-MUUNZHRXSA-N 0 3 559.674 4.779 1 0 KJAFHN CC(C)([NH3+])CC(=O)N[C@@H]1CCc2c3ccccc3ccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000014294796 561739354 /nfs/dbraw/zinc/73/93/54/561739354.db2.gz NNZKRDMTHUGYPF-MUUNZHRXSA-N 0 3 559.674 4.779 1 0 KJAFHN Clc1ccc2c(c1Nc1ncnc3cc(OCCN4CCCC4)cc(OC4CCOCC4)c31)OCCO2 ZINC000014949484 561745048 /nfs/dbraw/zinc/74/50/48/561745048.db2.gz IISZZGZXIRZBNF-UHFFFAOYSA-N 0 3 527.021 4.830 1 0 KJAFHN COc1ccc(C(=O)NCC2CCN(c3cc(C)nc(N)n3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953568 561746714 /nfs/dbraw/zinc/74/67/14/561746714.db2.gz SEZYRXHDVWGWAJ-UHFFFAOYSA-N 0 3 544.483 4.951 1 0 KJAFHN CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)F)c(OCCN(C)C)c4)nc3c2)ccn1 ZINC000014965242 561749434 /nfs/dbraw/zinc/74/94/34/561749434.db2.gz ZKSUUBLMUIKQJD-UHFFFAOYSA-N 0 3 514.508 4.813 1 0 KJAFHN O=C1c2ccccc2C(=O)N1CCCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014967022 561750080 /nfs/dbraw/zinc/75/00/80/561750080.db2.gz ZSCUXKJGNXUNNH-NRFANRHFSA-N 0 3 529.456 4.789 1 0 KJAFHN O=C1c2ccccc2C(=O)N1CCCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014967026 561750116 /nfs/dbraw/zinc/75/01/16/561750116.db2.gz ZSCUXKJGNXUNNH-OAQYLSRUSA-N 0 3 529.456 4.789 1 0 KJAFHN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)NC3CCN(c4ccccc4CN4CCCC4)CC3)cc12 ZINC000014969556 561750714 /nfs/dbraw/zinc/75/07/14/561750714.db2.gz PSPGVVDGXOYNRQ-UHFFFAOYSA-N 0 3 553.589 4.609 1 0 KJAFHN COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3CN3CCCC3)CC2)cc1 ZINC000014969612 561750866 /nfs/dbraw/zinc/75/08/66/561750866.db2.gz DIWCSTDCMYQMNO-UHFFFAOYSA-N 0 3 527.591 4.894 1 0 KJAFHN CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 ZINC000014970400 561750949 /nfs/dbraw/zinc/75/09/49/561750949.db2.gz FLMXGJYIFYQORQ-MUUNZHRXSA-N 0 3 506.654 4.514 1 0 KJAFHN CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 ZINC000014970412 561750955 /nfs/dbraw/zinc/75/09/55/561750955.db2.gz ZKRKDYYBSBSWFU-GDLZYMKVSA-N 0 3 531.664 4.936 1 0 KJAFHN CN(C)CCN(C)C(=O)c1ccc(S(=O)(=O)NCCc2c3ccccc3[nH]c2-c2cc3ccccc3o2)cc1 ZINC000014978431 561752707 /nfs/dbraw/zinc/75/27/07/561752707.db2.gz NCQIGJNVOCUQKG-UHFFFAOYSA-N 0 3 544.677 4.736 1 0 KJAFHN COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCCN1CCCC1 ZINC000016051808 561753789 /nfs/dbraw/zinc/75/37/89/561753789.db2.gz LGTPGGBSDIEHKM-UHFFFAOYSA-N 0 3 583.693 4.649 1 0 in-vitro KJAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000016052618 561754047 /nfs/dbraw/zinc/75/40/47/561754047.db2.gz QPGDTFHILHXFBQ-WUFINQPMSA-N 0 3 568.640 4.756 1 0 in-vitro KJAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000016052624 561754095 /nfs/dbraw/zinc/75/40/95/561754095.db2.gz GPMRAYXRPZKTFK-URLMMPGGSA-N 0 3 618.722 4.559 1 0 in-vitro KJAFHN CCCN1CCN(CCCNC(=O)c2ccc3c(c2)sc2nc(-c4ccc(OCC)cc4)cn32)CC1 ZINC000020389068 561758754 /nfs/dbraw/zinc/75/87/54/561758754.db2.gz RXFRROLKQSGZAG-UHFFFAOYSA-N 0 3 505.688 4.762 1 0 KJAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC(C)(C)C)nc3n2)CC1 ZINC000021289377 561758855 /nfs/dbraw/zinc/75/88/55/561758855.db2.gz PAZDFSJAERQBCY-UHFFFAOYSA-N 0 3 545.519 4.968 1 0 KJAFHN CN1CCN(Cc2ccc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1 ZINC000021289470 561758914 /nfs/dbraw/zinc/75/89/14/561758914.db2.gz AJNZDFUREDKURT-UHFFFAOYSA-N 0 3 509.441 4.793 1 0 KJAFHN Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022451716 561759411 /nfs/dbraw/zinc/75/94/11/561759411.db2.gz RQDGBNLSKUOAJD-SFTDATJTSA-N 0 3 518.624 4.718 1 0 KJAFHN COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCN(C)CC4)cc(OC4CCOCC4)c32)c1 ZINC000022451814 561759370 /nfs/dbraw/zinc/75/93/70/561759370.db2.gz KSOSADFISSODEE-UHFFFAOYSA-N 0 3 542.080 4.610 1 0 KJAFHN Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022453986 561759452 /nfs/dbraw/zinc/75/94/52/561759452.db2.gz HMBFXHIQISYDKM-RXVVDRJESA-N 0 3 503.613 4.874 1 0 KJAFHN O[C@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022580993 561759399 /nfs/dbraw/zinc/75/93/99/561759399.db2.gz MDXINFJMAMCHOD-NRFANRHFSA-N 0 3 529.497 4.520 1 0 KJAFHN CC(=O)N(C[C@@H](O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000022924738 561759520 /nfs/dbraw/zinc/75/95/20/561759520.db2.gz CVMXDGCSHBDZSA-PMERELPUSA-N 0 3 521.652 4.909 1 0 KJAFHN CC(=O)N(C[C@H](O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000022924743 561759633 /nfs/dbraw/zinc/75/96/33/561759633.db2.gz CVMXDGCSHBDZSA-SSEXGKCCSA-N 0 3 521.652 4.909 1 0 KJAFHN Cc1c[n+]([O-])cc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927060 561759853 /nfs/dbraw/zinc/75/98/53/561759853.db2.gz QVDCSAIULQECDK-VXKWHMMOSA-N 0 3 518.624 4.718 1 0 KJAFHN Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927069 561759961 /nfs/dbraw/zinc/75/99/61/561759961.db2.gz QWZMAQRSGSBPHQ-RXVVDRJESA-N 0 3 519.612 4.754 1 0 KJAFHN COc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 ZINC000022927076 561759918 /nfs/dbraw/zinc/75/99/18/561759918.db2.gz BUZVRSCZMYHLGQ-RXVVDRJESA-N 0 3 533.639 4.883 1 0 KJAFHN O=C1CC[C@@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927764 561759869 /nfs/dbraw/zinc/75/98/69/561759869.db2.gz DESOAOJLQXTFGI-NDEPHWFRSA-N 0 3 516.513 4.585 1 0 KJAFHN O=C1CC[C@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927768 561759915 /nfs/dbraw/zinc/75/99/15/561759915.db2.gz DESOAOJLQXTFGI-MUUNZHRXSA-N 0 3 516.513 4.585 1 0 KJAFHN O=C1CC[C@@](CCN2CC(N3CCC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927780 561759864 /nfs/dbraw/zinc/75/98/64/561759864.db2.gz NEPOEDGBXWMAGJ-YWEHKCAJSA-N 0 3 516.513 4.585 1 0 KJAFHN O=C1CC[C@@](CCN2CC(N3CCC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927783 561759904 /nfs/dbraw/zinc/75/99/04/561759904.db2.gz NEPOEDGBXWMAGJ-CUBQBAPOSA-N 0 3 516.513 4.585 1 0 KJAFHN CCOC1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000022927878 561760136 /nfs/dbraw/zinc/76/01/36/561760136.db2.gz LDXKTSXBTWBIRA-HHHXNRCGSA-N 0 3 508.534 4.839 1 0 KJAFHN C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927993 561760110 /nfs/dbraw/zinc/76/01/10/561760110.db2.gz OVTUWSVWDTXFTD-SUYBVONHSA-N 0 3 520.737 4.954 1 0 KJAFHN C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927998 561760123 /nfs/dbraw/zinc/76/01/23/561760123.db2.gz OVTUWSVWDTXFTD-MXBOTTGLSA-N 0 3 520.737 4.954 1 0 KJAFHN C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)CC1)C(=O)c1ccccc1 ZINC000022928002 561760086 /nfs/dbraw/zinc/76/00/86/561760086.db2.gz OVTUWSVWDTXFTD-HVNZXBJASA-N 0 3 520.737 4.954 1 0 KJAFHN C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)CC1)C(=O)c1ccccc1 ZINC000022928006 561760047 /nfs/dbraw/zinc/76/00/47/561760047.db2.gz OVTUWSVWDTXFTD-NEEKEDPPSA-N 0 3 520.737 4.954 1 0 KJAFHN C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928044 561760035 /nfs/dbraw/zinc/76/00/35/561760035.db2.gz UZPSLFYNTAUAHT-RXFWQSSRSA-N 0 3 521.508 4.558 1 0 KJAFHN C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928050 561760131 /nfs/dbraw/zinc/76/01/31/561760131.db2.gz UZPSLFYNTAUAHT-FQRUVTKNSA-N 0 3 521.508 4.558 1 0 KJAFHN C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928054 561760098 /nfs/dbraw/zinc/76/00/98/561760098.db2.gz UZPSLFYNTAUAHT-FNZWTVRRSA-N 0 3 521.508 4.558 1 0 KJAFHN C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928059 561760080 /nfs/dbraw/zinc/76/00/80/561760080.db2.gz UZPSLFYNTAUAHT-IBVKSMDESA-N 0 3 521.508 4.558 1 0 KJAFHN CCNC(=O)Nc1nc2cc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000022933824 561760540 /nfs/dbraw/zinc/76/05/40/561760540.db2.gz WQZLHIFJXAIOQL-UHFFFAOYSA-N 0 3 516.477 4.794 1 0 KJAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N)c4)C[C@H]23)CC1 ZINC000022935407 561760604 /nfs/dbraw/zinc/76/06/04/561760604.db2.gz XNXZHSREQUABAF-AVPJRLCVSA-N 0 3 500.062 4.653 1 0 KJAFHN Cc1cc(C)c(C)c(-c2cc3cnc(NCCCN4CCN(C)CC4)nc3nc2NC(=O)NC(C)(C)C)c1C ZINC000022938697 561760920 /nfs/dbraw/zinc/76/09/20/561760920.db2.gz XTUXOBJKZJZVKD-UHFFFAOYSA-N 0 3 532.737 4.895 1 0 KJAFHN COc1ccc(NC[C@@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941075 561761028 /nfs/dbraw/zinc/76/10/28/561761028.db2.gz ZPJLQZXFLVQFSL-MUUNZHRXSA-N 0 3 509.641 4.976 1 0 KJAFHN COc1ccc(NC[C@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941078 561761084 /nfs/dbraw/zinc/76/10/84/561761084.db2.gz ZPJLQZXFLVQFSL-NDEPHWFRSA-N 0 3 509.641 4.976 1 0 KJAFHN CC(C)NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000022941837 561761278 /nfs/dbraw/zinc/76/12/78/561761278.db2.gz MEGWJRRCEUYDCB-UHFFFAOYSA-N 0 3 531.492 4.578 1 0 KJAFHN CCCC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000022941841 561761192 /nfs/dbraw/zinc/76/11/92/561761192.db2.gz WBDKIGZDBBNHLW-UHFFFAOYSA-N 0 3 516.477 4.787 1 0 KJAFHN Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)CC2)CC1 ZINC000022941884 561761167 /nfs/dbraw/zinc/76/11/67/561761167.db2.gz PJNAHFJXUCOBEV-UHFFFAOYSA-N 0 3 531.482 4.721 1 0 KJAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000022941887 561761241 /nfs/dbraw/zinc/76/12/41/561761241.db2.gz SXKBUSBIAWXPCP-NRFANRHFSA-N 0 3 531.482 4.719 1 0 KJAFHN O[C@@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023257023 561761387 /nfs/dbraw/zinc/76/13/87/561761387.db2.gz MDXINFJMAMCHOD-OAQYLSRUSA-N 0 3 529.497 4.520 1 0 KJAFHN CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NCCNC(=O)OC(C)(C)C)nc3n2)CC1 ZINC000023357757 561761657 /nfs/dbraw/zinc/76/16/57/561761657.db2.gz MVTPOBLUFCMSQU-UHFFFAOYSA-N 0 3 632.597 4.694 1 0 KJAFHN CCN(CC)C(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000023357763 561761595 /nfs/dbraw/zinc/76/15/95/561761595.db2.gz SFCDDCGMFLBTSE-UHFFFAOYSA-N 0 3 545.519 4.922 1 0 KJAFHN COc1cc(OC)cc(-c2cc3cnc(NCCCCN4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000023357868 561761831 /nfs/dbraw/zinc/76/18/31/561761831.db2.gz RAMCMRRBGWIDLK-UHFFFAOYSA-N 0 3 549.720 4.674 1 0 KJAFHN COc1ccc(Cl)c(Nc2ncnc3ccc(OCCCN4CCN(C)CC4)c(OC4CCOCC4)c32)c1 ZINC000023358074 561761957 /nfs/dbraw/zinc/76/19/57/561761957.db2.gz KBCWPJVPGXBFTB-UHFFFAOYSA-N 0 3 542.080 4.610 1 0 KJAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 ZINC000024813442 561762478 /nfs/dbraw/zinc/76/24/78/561762478.db2.gz FJYALDRNDKNYKU-LBFZIJHGSA-N 0 3 667.869 4.552 1 0 in-vitro KJAFHN O=C(Nc1cccc2c3c([nH]c21)[C@@H]1Oc2c4c(ccc2O)C[C@H]2N(CC5CC5)CC[C@]41[C@@]2(O)C3)c1ccccc1 ZINC000025979806 561763798 /nfs/dbraw/zinc/76/37/98/561763798.db2.gz LNXAIUOZIUCGBQ-VWKWMHJASA-N 0 3 533.628 4.825 1 0 KJAFHN Cc1c(-c2cccc(OC(F)(F)F)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000026166498 561769288 /nfs/dbraw/zinc/76/92/88/561769288.db2.gz KVDOLFFHTRDYLM-UHFFFAOYSA-N 0 3 574.550 4.780 1 0 KJAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000026187692 561772811 /nfs/dbraw/zinc/77/28/11/561772811.db2.gz GZSMHJAFZVYLOV-LJAQVGFWSA-N 0 3 624.645 4.894 1 0 KJAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000026188926 561773044 /nfs/dbraw/zinc/77/30/44/561773044.db2.gz AWIMPECZNODLQB-PMERELPUSA-N 0 3 654.671 4.806 1 0 KJAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000026248742 561773797 /nfs/dbraw/zinc/77/37/97/561773797.db2.gz BNDBBYINHFCCSQ-PMERELPUSA-N 0 3 638.672 4.927 1 0 KJAFHN F[C@@H]1CN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000026250884 561774058 /nfs/dbraw/zinc/77/40/58/561774058.db2.gz XMNHYMRSXOCEGF-NOZRDPDXSA-N 0 3 500.544 4.902 1 0 KJAFHN F[C@H]1CN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000026250893 561774119 /nfs/dbraw/zinc/77/41/19/561774119.db2.gz XMNHYMRSXOCEGF-ZCYQVOJMSA-N 0 3 500.544 4.902 1 0 KJAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000026252123 561774264 /nfs/dbraw/zinc/77/42/64/561774264.db2.gz UTVXTXZVGPURRH-PMERELPUSA-N 0 3 638.672 4.818 1 0 KJAFHN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)C2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254937 561774691 /nfs/dbraw/zinc/77/46/91/561774691.db2.gz STFHCRUNLPKGNS-BKJGBRIOSA-N 0 3 614.688 4.959 1 0 KJAFHN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)C2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254951 561774704 /nfs/dbraw/zinc/77/47/04/561774704.db2.gz STFHCRUNLPKGNS-MHMTURBSSA-N 0 3 614.688 4.959 1 0 KJAFHN C[C@@H](OC(=O)CN1Cc2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2NC1=N)c1ccccc1 ZINC000026271988 561777466 /nfs/dbraw/zinc/77/74/66/561777466.db2.gz UHXRJGVYNNLRMG-OAQYLSRUSA-N 0 3 506.647 4.703 1 0 KJAFHN C[C@H](OC(=O)CN1Cc2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2NC1=N)c1ccccc1 ZINC000026271994 561777477 /nfs/dbraw/zinc/77/74/77/561777477.db2.gz UHXRJGVYNNLRMG-NRFANRHFSA-N 0 3 506.647 4.703 1 0 KJAFHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C1(O)CCN(CCc2ccccc2)CC1 ZINC000026276198 561778303 /nfs/dbraw/zinc/77/83/03/561778303.db2.gz SNTPWCRWZNTRGT-CONSDPRKSA-N 0 3 557.735 4.735 1 0 KJAFHN CC(C)[C@@H]1NC(=O)/C=C\CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276788 561778506 /nfs/dbraw/zinc/77/85/06/561778506.db2.gz VANGMTGZZOAFPM-GIRZVQCASA-N 0 3 638.894 4.520 1 0 KJAFHN CC(C)[C@@H]1NC(=O)/C=C\CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276793 561778529 /nfs/dbraw/zinc/77/85/29/561778529.db2.gz VANGMTGZZOAFPM-DWOYICJSSA-N 0 3 638.894 4.520 1 0 KJAFHN CC(C)C[C@@H](C(=O)NC(C)(C)C)N1CCC(O)([C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)CC1 ZINC000026277234 561778459 /nfs/dbraw/zinc/77/84/59/561778459.db2.gz OUBRSMPXRUFJNN-CHQNGUEUSA-N 0 3 622.851 4.821 1 0 KJAFHN CC(C)(C)NC(=O)[C@H](CC1CCCCC1)N1CC[C@@](O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000026290382 561780537 /nfs/dbraw/zinc/78/05/37/561780537.db2.gz ZYITZRKIODUJNW-QRQMUESOSA-N 0 3 515.739 4.813 1 0 KJAFHN CCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C)C(C)C ZINC000026293819 561781011 /nfs/dbraw/zinc/78/10/11/561781011.db2.gz DUTCXSHILPDZPT-ZVKCSQHFSA-N 0 3 612.900 4.981 1 0 KJAFHN CCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C)C(C)C ZINC000026293824 561781031 /nfs/dbraw/zinc/78/10/31/561781031.db2.gz DUTCXSHILPDZPT-YGNWIIGRSA-N 0 3 612.900 4.981 1 0 KJAFHN CC(C)[C@@H]1NC(=O)CCCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026296691 561781616 /nfs/dbraw/zinc/78/16/16/561781616.db2.gz WEDYIPBWZKOBFA-PLABGEDTSA-N 0 3 640.910 4.744 1 0 KJAFHN CC(C)[C@@H]1NC(=O)CCCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026296696 561781566 /nfs/dbraw/zinc/78/15/66/561781566.db2.gz WEDYIPBWZKOBFA-XWEINSKWSA-N 0 3 640.910 4.744 1 0 KJAFHN CCOC(=O)CC[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21 ZINC000026385986 561784379 /nfs/dbraw/zinc/78/43/79/561784379.db2.gz UGSMSTHDRVHXPL-LEAFIULHSA-N 0 3 547.740 4.622 1 0 KJAFHN CCOC(=O)CC[C@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21 ZINC000026385990 561784389 /nfs/dbraw/zinc/78/43/89/561784389.db2.gz UGSMSTHDRVHXPL-LBNVMWSVSA-N 0 3 547.740 4.622 1 0 KJAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCSC1 ZINC000026387365 561784836 /nfs/dbraw/zinc/78/48/36/561784836.db2.gz ZOMNPGWFMCUJBM-DRNYJLRZSA-N 0 3 699.962 4.970 1 0 KJAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCSC1 ZINC000026387791 561784870 /nfs/dbraw/zinc/78/48/70/561784870.db2.gz ZOMNPGWFMCUJBM-UEMRSFKDSA-N 0 3 699.962 4.970 1 0 KJAFHN COc1cc(Cn2c3ccc(O)cc3nc2-c2ccc(OCCN3CCCC3)cc2)ccc1Cn1ccnn1 ZINC000026393953 561786422 /nfs/dbraw/zinc/78/64/22/561786422.db2.gz WZLAVWRMBGPEAL-UHFFFAOYSA-N 0 3 524.625 4.580 1 0 KJAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C1CCOCC1 ZINC000026394484 561786555 /nfs/dbraw/zinc/78/65/55/561786555.db2.gz RGTBPOJAPDHIJT-SPIMXWGGSA-N 0 3 697.921 4.644 1 0 KJAFHN Cn1c2c(c3c1[C@@H]1Oc4c5c(ccc4O)C[C@H]4N(CC6CC6)CC[C@]51[C@@]4(O)C3)C[C@H]1CN(C(=O)OCc3ccccc3)CC[C@@H]1C2 ZINC000026482829 561792016 /nfs/dbraw/zinc/79/20/16/561792016.db2.gz BCPUGGCDIQTIQA-NDKXRCAUSA-N 0 3 621.778 4.803 1 0 KJAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026493307 561793743 /nfs/dbraw/zinc/79/37/43/561793743.db2.gz VAJOGYQUKHOXAR-XKWLHOGNSA-N 0 3 522.736 4.636 1 0 KJAFHN CN(C[C@@H](CCN1CCC2(CC1)NC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026494068 561793980 /nfs/dbraw/zinc/79/39/80/561793980.db2.gz LONMDOWNWFZEMN-HSZRJFAPSA-N 0 3 538.113 4.869 1 0 KJAFHN CCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026497175 561794505 /nfs/dbraw/zinc/79/45/05/561794505.db2.gz FCZXEHBROANXDI-RUZDIDTESA-N 0 3 515.720 4.814 1 0 KJAFHN CN(C[C@@H](CCN1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026497660 561794694 /nfs/dbraw/zinc/79/46/94/561794694.db2.gz BFGAHNLMTHYDOA-RUZDIDTESA-N 0 3 602.222 4.948 1 0 KJAFHN COc1ccc(CCNCc2cccc(COc3nn4c(nnc4C(F)(F)F)c4ccccc43)n2)cc1 ZINC000026499072 561795061 /nfs/dbraw/zinc/79/50/61/561795061.db2.gz FFQZYEPKHCOUMB-UHFFFAOYSA-N 0 3 508.504 4.611 1 0 KJAFHN CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)c1=O ZINC000026499164 561795042 /nfs/dbraw/zinc/79/50/42/561795042.db2.gz QCMDZLZPXIFUSR-PMERELPUSA-N 0 3 577.751 4.589 1 0 KJAFHN O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000026499167 561795005 /nfs/dbraw/zinc/79/50/05/561795005.db2.gz VLYNHVNIQQTBRB-SANMLTNESA-N 0 3 641.663 4.968 1 0 KJAFHN CN(C[C@@H](CCN1CCC2(CC1)CNC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026500192 561795229 /nfs/dbraw/zinc/79/52/29/561795229.db2.gz YCWXLGCHCDRVJP-XMMPIXPASA-N 0 3 552.140 4.912 1 0 KJAFHN COc1cccc(CCNCc2cccc(COc3nn4c(nnc4C(F)(F)F)c4ccccc43)n2)c1 ZINC000026501920 561795667 /nfs/dbraw/zinc/79/56/67/561795667.db2.gz GTTSZVTUEOZDQF-UHFFFAOYSA-N 0 3 508.504 4.611 1 0 KJAFHN CCCCCCN1CCN(c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O ZINC000026502271 561795821 /nfs/dbraw/zinc/79/58/21/561795821.db2.gz SAPDQYDQLOKLPL-LJAQVGFWSA-N 0 3 565.740 4.570 1 0 KJAFHN COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(CCNS(C)(=O)=O)CC2)cc(OC)c1 ZINC000026503325 561796004 /nfs/dbraw/zinc/79/60/04/561796004.db2.gz OJLOHTKEOIEATN-UHFFFAOYSA-N 0 3 582.163 4.523 1 0 KJAFHN COc1ccccc1CCNCc1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026503398 561795990 /nfs/dbraw/zinc/79/59/90/561795990.db2.gz CSLFMAAXZZYFJG-UHFFFAOYSA-N 0 3 508.504 4.611 1 0 KJAFHN N[C@H](CSC(=O)CCC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1)Cc1ccccc1 ZINC000026503630 561796151 /nfs/dbraw/zinc/79/61/51/561796151.db2.gz JPASWJXAHUOLND-IZLXSDGUSA-N 0 3 592.783 4.575 1 0 KJAFHN N[C@H](CSC(=O)CCC(=O)SC[C@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1)Cc1ccccc1 ZINC000026503634 561796178 /nfs/dbraw/zinc/79/61/78/561796178.db2.gz JPASWJXAHUOLND-NSOVKSMOSA-N 0 3 592.783 4.575 1 0 KJAFHN CN(C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(-c2ccccc2)cc1 ZINC000026508138 561796904 /nfs/dbraw/zinc/79/69/04/561796904.db2.gz DKQPCXGKENQHKP-UHFFFAOYSA-N 0 3 551.691 4.742 1 0 KJAFHN CN(C)CCc1c2cc(CCN3C(=O)N(C)[C@@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1 ZINC000026567314 561797364 /nfs/dbraw/zinc/79/73/64/561797364.db2.gz SGRACZVCFDBZDN-XIFFEERXSA-N 0 3 551.691 4.554 1 0 KJAFHN CN(C)CCc1c2cc(CCN3C(=O)N(C)[C@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1 ZINC000026567318 561797323 /nfs/dbraw/zinc/79/73/23/561797323.db2.gz SGRACZVCFDBZDN-MGBGTMOVSA-N 0 3 551.691 4.554 1 0 KJAFHN CN(C)CCc1c2cc(CCN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1N ZINC000026570550 561798039 /nfs/dbraw/zinc/79/80/39/561798039.db2.gz ZHAWTRUMJOHLMI-UHFFFAOYSA-N 0 3 614.750 4.822 1 0 KJAFHN O=S(=O)(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc2ccccc2c1 ZINC000026576038 561799857 /nfs/dbraw/zinc/79/98/57/561799857.db2.gz WLWJPYVMOSSIHL-UHFFFAOYSA-N 0 3 552.144 4.830 1 0 KJAFHN CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000026576800 561800743 /nfs/dbraw/zinc/80/07/43/561800743.db2.gz LFFAEWTVDMNHRK-UHFFFAOYSA-N 0 3 558.192 4.974 1 0 KJAFHN Cc1cc2c(n1-c1ncnc3c1ncn3C[C@@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000026577056 561800987 /nfs/dbraw/zinc/80/09/87/561800987.db2.gz ALGYDKKJOXKBLM-LJAQVGFWSA-N 0 3 561.734 4.572 1 0 KJAFHN Cc1cc2c(n1-c1ncnc3c1ncn3C[C@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000026577057 561800972 /nfs/dbraw/zinc/80/09/72/561800972.db2.gz ALGYDKKJOXKBLM-GDLZYMKVSA-N 0 3 561.734 4.572 1 0 KJAFHN Cc1cc(S(=O)(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)c(C)cc1Cl ZINC000026577649 561802201 /nfs/dbraw/zinc/80/22/01/561802201.db2.gz KLZPXBQKPFYPQA-UHFFFAOYSA-N 0 3 564.583 4.947 1 0 KJAFHN c1ccn(-c2ncnc3c2ncn3CCCN2CCN(C3c4ccccc4CCc4ccccc43)CC2)c1 ZINC000026577679 561802235 /nfs/dbraw/zinc/80/22/35/561802235.db2.gz GAQRRFSNWBERMJ-UHFFFAOYSA-N 0 3 503.654 4.513 1 0 KJAFHN O=S(=O)(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000026578086 561802761 /nfs/dbraw/zinc/80/27/61/561802761.db2.gz WENMUHCQGMDBRN-UHFFFAOYSA-N 0 3 586.080 4.575 1 0 KJAFHN Cc1c(Cl)cccc1S(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000026578391 561803234 /nfs/dbraw/zinc/80/32/34/561803234.db2.gz XNKPGMFQBZTOIF-UHFFFAOYSA-N 0 3 550.556 4.638 1 0 KJAFHN CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000026578461 561803401 /nfs/dbraw/zinc/80/34/01/561803401.db2.gz YMJDHHMLWDCLGU-UHFFFAOYSA-N 0 3 595.213 4.896 1 0 KJAFHN O=S(=O)(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(Cl)cc(Cl)c1 ZINC000026578468 561803394 /nfs/dbraw/zinc/80/33/94/561803394.db2.gz RGIBTLUMURENJT-UHFFFAOYSA-N 0 3 570.974 4.983 1 0 KJAFHN COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026578906 561803964 /nfs/dbraw/zinc/80/39/64/561803964.db2.gz YHCFZPZXTBTPOA-UHFFFAOYSA-N 0 3 603.185 4.778 1 0 KJAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000026580171 561805612 /nfs/dbraw/zinc/80/56/12/561805612.db2.gz HFVUXDLREYISIA-PNBVQZGLSA-N 0 3 540.726 4.775 1 0 KJAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000026580172 561805579 /nfs/dbraw/zinc/80/55/79/561805579.db2.gz HFVUXDLREYISIA-GPJMPKJXSA-N 0 3 540.726 4.775 1 0 KJAFHN CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000026650576 561808337 /nfs/dbraw/zinc/80/83/37/561808337.db2.gz JLIUDRVXSXMEGO-HHHXNRCGSA-N 0 3 542.602 4.719 1 0 KJAFHN O=C(NCCCN1CCC(c2ccc(F)cc2)CC1)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000026650731 561808329 /nfs/dbraw/zinc/80/83/29/561808329.db2.gz JMHJPWHXTFNZBY-JOCHJYFZSA-N 0 3 540.508 4.660 1 0 KJAFHN COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000026651333 561808453 /nfs/dbraw/zinc/80/84/53/561808453.db2.gz GPVSQYKLAUEUBR-AREMUKBSSA-N 0 3 558.601 4.939 1 0 KJAFHN C[C@@H](F)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026653399 561808692 /nfs/dbraw/zinc/80/86/92/561808692.db2.gz SULFGCCDIDEUEY-JIPXPUAJSA-N 0 3 569.685 4.614 1 0 KJAFHN COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(C1)CCCN(Cc1cnc[nH]1)[C@@H]2c1ccccc1 ZINC000026654978 561809196 /nfs/dbraw/zinc/80/91/96/561809196.db2.gz MPAHEXNEQNYRLC-OXTYCOSGSA-N 0 3 539.562 4.693 1 0 KJAFHN COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCCN(Cc1cnc[nH]1)[C@@H]2c1ccccc1 ZINC000026654983 561809203 /nfs/dbraw/zinc/80/92/03/561809203.db2.gz MPAHEXNEQNYRLC-GJQIQAERSA-N 0 3 539.562 4.693 1 0 KJAFHN CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O)[NH2+]C[C@H](O)c1ccccc1 ZINC000026656015 561809368 /nfs/dbraw/zinc/80/93/68/561809368.db2.gz HHHLCUGSJKOPRR-VTIYRKAUSA-N 0 3 629.765 4.990 1 0 KJAFHN CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O)[NH2+]C[C@H](O)c1ccccc1 ZINC000026656015 561809367 /nfs/dbraw/zinc/80/93/67/561809367.db2.gz HHHLCUGSJKOPRR-VTIYRKAUSA-N 0 3 629.765 4.990 1 0 KJAFHN CCCS(=O)(=O)N1CCC(N2CCC([C@@]3(c4ccc([S@@](=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 ZINC000026657494 561809647 /nfs/dbraw/zinc/80/96/47/561809647.db2.gz PAYVCNUFKULSLZ-KBBVOBCMSA-N 0 3 588.792 4.504 1 0 KJAFHN CCCS(=O)(=O)N1CCC(N2CCC([C@]3(c4ccc([S@@](=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 ZINC000026657500 561809660 /nfs/dbraw/zinc/80/96/60/561809660.db2.gz PAYVCNUFKULSLZ-MFIBOOTFSA-N 0 3 588.792 4.504 1 0 KJAFHN CCCS(=O)(=O)N1CCC(N2CCC([C@@]3(c4ccc([S@](=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 ZINC000026657506 561809654 /nfs/dbraw/zinc/80/96/54/561809654.db2.gz PAYVCNUFKULSLZ-IUFKWIDOSA-N 0 3 588.792 4.504 1 0 KJAFHN CCCS(=O)(=O)N1CCC(N2CCC([C@]3(c4ccc([S@](=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 ZINC000026657511 561809605 /nfs/dbraw/zinc/80/96/05/561809605.db2.gz PAYVCNUFKULSLZ-GFZJOKKCSA-N 0 3 588.792 4.504 1 0 KJAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)CCc3ccccc3)cc2)C1 ZINC000026661905 561810423 /nfs/dbraw/zinc/81/04/23/561810423.db2.gz OBERAOAVWYIUPL-WUFINQPMSA-N 0 3 504.074 4.941 1 0 KJAFHN COc1ccc(C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C)CC[C@H]3c3ccc(Cl)cc3)cc2)cc1 ZINC000026663773 561810699 /nfs/dbraw/zinc/81/06/99/561810699.db2.gz RMGNNXHPIYUFGG-RRPNLBNLSA-N 0 3 506.046 4.630 1 0 KJAFHN CN1CCN(Cc2cc(NC(=O)CN3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000026671499 561812537 /nfs/dbraw/zinc/81/25/37/561812537.db2.gz UGMZPIVFTQSPMP-UHFFFAOYSA-N 0 3 507.082 4.804 1 0 KJAFHN COc1ccc(C(=O)NCC2CCN(Cc3cc[nH]c(=O)c3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000026673458 561813088 /nfs/dbraw/zinc/81/30/88/561813088.db2.gz JEROPZADNPCENF-UHFFFAOYSA-N 0 3 544.479 4.954 1 0 KJAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc2ccccc2c1)NS(C)(=O)=O ZINC000026735100 561817275 /nfs/dbraw/zinc/81/72/75/561817275.db2.gz NNBAMFOWJQFHIQ-HHIXDIKQSA-N 0 3 708.991 4.734 1 0 KJAFHN Cc1cc(COc2ccc(S(=O)(=O)C[C@H](CC3CC[NH+](CC(C)C)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026737088 581091637 /nfs/dbraw/zinc/09/16/37/581091637.db2.gz AYWKRESAZCSENH-SANMLTNESA-N 0 3 553.725 4.870 1 0 KJAFHN Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](CC3CC[NH+](CC(C)C)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026737093 581091628 /nfs/dbraw/zinc/09/16/28/581091628.db2.gz AYWKRESAZCSENH-AREMUKBSSA-N 0 3 553.725 4.870 1 0 KJAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026741769 561818295 /nfs/dbraw/zinc/81/82/95/561818295.db2.gz ZJCRACQKNWUFFC-UCWKTGAJSA-N 0 3 535.729 4.680 1 0 KJAFHN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)ccc1O ZINC000026828211 561822350 /nfs/dbraw/zinc/82/23/50/561822350.db2.gz SBNLECBRYJGBMG-FIBWVYCGSA-N 0 3 532.662 4.950 1 0 KJAFHN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)ccc1O ZINC000026828217 561822390 /nfs/dbraw/zinc/82/23/90/561822390.db2.gz SBNLECBRYJGBMG-OFSOJUDTSA-N 0 3 532.662 4.950 1 0 KJAFHN CCCCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000026831310 561822985 /nfs/dbraw/zinc/82/29/85/561822985.db2.gz AQJAFHZELYBXMJ-MHZLTWQESA-N 0 3 540.686 4.877 1 0 KJAFHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NC1CCCCC1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026833046 561823431 /nfs/dbraw/zinc/82/34/31/561823431.db2.gz BVBSTZCSKDVNIT-LOFFRUMASA-N 0 3 727.947 4.774 1 0 KJAFHN O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1)OCCc1ccccc1 ZINC000026833568 561823556 /nfs/dbraw/zinc/82/35/56/561823556.db2.gz JISWRSSETBKLGV-LJAQVGFWSA-N 0 3 560.676 4.539 1 0 KJAFHN CS(=O)(=O)N1CC2(CCN(CC[C@@H](CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026836011 561824355 /nfs/dbraw/zinc/82/43/55/561824355.db2.gz PEEGNLVWOTZLNY-LITSAYRRSA-N 0 3 621.203 4.790 1 0 KJAFHN CS(=O)(=O)N1CC2(CCN(CC[C@H](CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026836013 561824417 /nfs/dbraw/zinc/82/44/17/561824417.db2.gz PEEGNLVWOTZLNY-GGXMVOPNSA-N 0 3 621.203 4.790 1 0 KJAFHN O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000026837105 561824678 /nfs/dbraw/zinc/82/46/78/561824678.db2.gz XGJADJYYZHOOAY-PMERELPUSA-N 0 3 558.704 4.710 1 0 KJAFHN CN(CCCN1C(=O)C[S@](=O)[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026844128 561826186 /nfs/dbraw/zinc/82/61/86/561826186.db2.gz SHUKHGHJLUPUAN-FEJAXNNGSA-N 0 3 558.741 4.706 1 0 KJAFHN CN(CCCN1C(=O)C[S@](=O)[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026844137 561826306 /nfs/dbraw/zinc/82/63/06/561826306.db2.gz SHUKHGHJLUPUAN-MRFARIQKSA-N 0 3 558.741 4.706 1 0 KJAFHN NCc1cccc(NC(=O)CN2CCCC[C@@H](NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2=O)c1 ZINC000026847166 561826648 /nfs/dbraw/zinc/82/66/48/561826648.db2.gz GXTLDNIDOQJSKC-RUZDIDTESA-N 0 3 539.463 4.869 1 0 KJAFHN NCc1cccc(NC(=O)CN2CCCC[C@H](NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2=O)c1 ZINC000026847173 561826667 /nfs/dbraw/zinc/82/66/67/561826667.db2.gz GXTLDNIDOQJSKC-VWLOTQADSA-N 0 3 539.463 4.869 1 0 KJAFHN COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@]2(O)[C@H]3Cc5ccc(O)c6c5[C@@]2(CCN3CC2CC2)[C@H]4O6)cc1 ZINC000026850246 561827148 /nfs/dbraw/zinc/82/71/48/561827148.db2.gz HBMCOCNPRMMGSX-XCQSDYEBSA-N 0 3 577.681 4.511 1 0 KJAFHN Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ncc[nH]4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026851722 561827272 /nfs/dbraw/zinc/82/72/72/561827272.db2.gz WFWJOZNEVLNHAC-MHZLTWQESA-N 0 3 583.564 4.613 1 0 KJAFHN O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C(=O)N1CCC[NH+]1CCCC1 ZINC000026947069 561828573 /nfs/dbraw/zinc/82/85/73/561828573.db2.gz ZOEJZIHCXUGXDW-LJAQVGFWSA-N 0 3 549.679 4.785 1 0 KJAFHN O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C(=O)N1CCC[NH+]1CCCC1 ZINC000026947069 561828572 /nfs/dbraw/zinc/82/85/72/561828572.db2.gz ZOEJZIHCXUGXDW-LJAQVGFWSA-N 0 3 549.679 4.785 1 0 KJAFHN CCCCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 ZINC000026953289 561829049 /nfs/dbraw/zinc/82/90/49/561829049.db2.gz JFOLTVUNYCJQAB-XCQSDYEBSA-N 0 3 584.761 4.995 1 0 KJAFHN O=C(NCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 ZINC000026954100 561829006 /nfs/dbraw/zinc/82/90/06/561829006.db2.gz INUXJSZISOXQKE-XCQSDYEBSA-N 0 3 561.682 4.545 1 0 KJAFHN O=C(NCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 ZINC000026957526 561829296 /nfs/dbraw/zinc/82/92/96/561829296.db2.gz QIIHYJKTASKFCK-ZLFJBEIYSA-N 0 3 547.655 4.503 1 0 KJAFHN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCCN1CCCC1)C(C)C ZINC000026992927 561832812 /nfs/dbraw/zinc/83/28/12/561832812.db2.gz BLWYYWZWPNQLTF-LOFFRUMASA-N 0 3 743.946 4.600 1 0 KJAFHN COc1cccc(CNC[C@@H](C)n2c(=O)c(-c3cccc(OC)c3)c(C)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000026994275 561833003 /nfs/dbraw/zinc/83/30/03/561833003.db2.gz IFTSZJBFFKLIJT-LJQANCHMSA-N 0 3 535.591 4.680 1 0 KJAFHN COc1ccc(CNC[C@@H](C)n2c(=O)c(-c3cccc(OC)c3)c(C)n(Cc3c(F)cccc3F)c2=O)cc1 ZINC000026997452 561833540 /nfs/dbraw/zinc/83/35/40/561833540.db2.gz IFXPGGOXLMDWHJ-LJQANCHMSA-N 0 3 535.591 4.680 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](Cc3ccccc3)N(C)C)c2=O)c1F ZINC000027099021 561838359 /nfs/dbraw/zinc/83/83/59/561838359.db2.gz AMCFOVGLNPCZBV-NRFANRHFSA-N 0 3 537.582 4.633 1 0 KJAFHN COc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027102721 561839289 /nfs/dbraw/zinc/83/92/89/561839289.db2.gz VTRIENNYHGTPOM-MUUNZHRXSA-N 0 3 651.252 4.640 1 0 KJAFHN COc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027102726 561839265 /nfs/dbraw/zinc/83/92/65/561839265.db2.gz VTRIENNYHGTPOM-NDEPHWFRSA-N 0 3 651.252 4.640 1 0 KJAFHN CCOc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C(=O)c4ccco4)CC3)c2=O)CC1 ZINC000027108198 561840720 /nfs/dbraw/zinc/84/07/20/561840720.db2.gz MSDXLUVYTXYXQY-UHFFFAOYSA-N 0 3 611.187 4.624 1 0 KJAFHN COc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108764 561840903 /nfs/dbraw/zinc/84/09/03/561840903.db2.gz RUJVTASFSBRIDC-MUUNZHRXSA-N 0 3 651.252 4.640 1 0 KJAFHN COc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108767 561840881 /nfs/dbraw/zinc/84/08/81/561840881.db2.gz RUJVTASFSBRIDC-NDEPHWFRSA-N 0 3 651.252 4.640 1 0 KJAFHN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2nc3cc4nc(NC(=O)CN5C[C@@H](C)C[C@H](C)C5)sc4cc3s2)C1 ZINC000027184064 561842314 /nfs/dbraw/zinc/84/23/14/561842314.db2.gz IITMPFUJXRCRPM-XLAORIBOSA-N 0 3 528.748 4.739 1 0 KJAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027203743 561845558 /nfs/dbraw/zinc/84/55/58/561845558.db2.gz VNNNWWNREQUYDU-UHFFFAOYSA-N 0 3 548.688 4.644 1 0 KJAFHN COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OCCN1CCCCC1 ZINC000027209199 561846650 /nfs/dbraw/zinc/84/66/50/561846650.db2.gz LCMJVHJGFKLIMT-UHFFFAOYSA-N 0 3 592.741 4.661 1 0 KJAFHN COCCOc1cc2c(cc1OCCN1CCCCC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027210024 561846939 /nfs/dbraw/zinc/84/69/39/561846939.db2.gz WOCIFWWPZLWINH-UHFFFAOYSA-N 0 3 592.741 4.661 1 0 KJAFHN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCCN1CCC(C)(C)CC1 ZINC000027308626 561850185 /nfs/dbraw/zinc/85/01/85/561850185.db2.gz IRXPFAHQOUAGGG-UHFFFAOYSA-N 0 3 677.810 4.859 1 0 KJAFHN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(CC3SC(N)=NC3=O)cc1)CC2 ZINC000027430302 561859245 /nfs/dbraw/zinc/85/92/45/561859245.db2.gz NPWAZFOGEUJYOS-CUBQBAPOSA-N 0 3 510.656 4.961 1 0 KJAFHN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(Cc3sc(N)nc3O)cc1)CC2 ZINC000027430302 561859243 /nfs/dbraw/zinc/85/92/43/561859243.db2.gz NPWAZFOGEUJYOS-CUBQBAPOSA-N 0 3 510.656 4.961 1 0 KJAFHN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(CC3SC(N)=NC3=O)cc1)CC2 ZINC000027430307 561859232 /nfs/dbraw/zinc/85/92/32/561859232.db2.gz NPWAZFOGEUJYOS-RBJSKKJNSA-N 0 3 510.656 4.961 1 0 KJAFHN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(Cc3sc(N)nc3O)cc1)CC2 ZINC000027430307 561859230 /nfs/dbraw/zinc/85/92/30/561859230.db2.gz NPWAZFOGEUJYOS-RBJSKKJNSA-N 0 3 510.656 4.961 1 0 KJAFHN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(CC3SC(N)=NC3=O)cc1)CC2 ZINC000027430311 561859250 /nfs/dbraw/zinc/85/92/50/561859250.db2.gz NPWAZFOGEUJYOS-YWEHKCAJSA-N 0 3 510.656 4.961 1 0 KJAFHN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(Cc3sc(N)nc3O)cc1)CC2 ZINC000027430311 561859248 /nfs/dbraw/zinc/85/92/48/561859248.db2.gz NPWAZFOGEUJYOS-YWEHKCAJSA-N 0 3 510.656 4.961 1 0 KJAFHN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(CC3SC(N)=NC3=O)cc1)CC2 ZINC000027430315 561859262 /nfs/dbraw/zinc/85/92/62/561859262.db2.gz NPWAZFOGEUJYOS-UFHPHHKVSA-N 0 3 510.656 4.961 1 0 KJAFHN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(Cc3sc(N)nc3O)cc1)CC2 ZINC000027430315 561859260 /nfs/dbraw/zinc/85/92/60/561859260.db2.gz NPWAZFOGEUJYOS-UFHPHHKVSA-N 0 3 510.656 4.961 1 0 KJAFHN NC(=[NH2+])c1ccc(CNC(=O)c2cc([N-]S(=O)(=O)Cc3ccccc3)ccc2Sc2ccccc2)cc1 ZINC000027430536 561859240 /nfs/dbraw/zinc/85/92/40/561859240.db2.gz WFLQZFCVIXHCON-UHFFFAOYSA-N 0 3 530.675 4.994 1 0 KJAFHN O[C@@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521043 561863916 /nfs/dbraw/zinc/86/39/16/561863916.db2.gz UONUVYUFBWWHFK-PXJZQJOASA-N 0 3 536.705 4.880 1 0 KJAFHN O[C@@H](CSc1ncnc2[nH]cnc21)CN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521043 561863915 /nfs/dbraw/zinc/86/39/15/561863915.db2.gz UONUVYUFBWWHFK-PXJZQJOASA-N 0 3 536.705 4.880 1 0 KJAFHN O[C@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521045 561863929 /nfs/dbraw/zinc/86/39/29/561863929.db2.gz UONUVYUFBWWHFK-YTMVLYRLSA-N 0 3 536.705 4.880 1 0 KJAFHN O[C@H](CSc1ncnc2[nH]cnc21)CN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521045 561863928 /nfs/dbraw/zinc/86/39/28/561863928.db2.gz UONUVYUFBWWHFK-YTMVLYRLSA-N 0 3 536.705 4.880 1 0 KJAFHN O[C@@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521047 561863941 /nfs/dbraw/zinc/86/39/41/561863941.db2.gz UONUVYUFBWWHFK-XRKRLSELSA-N 0 3 536.705 4.880 1 0 KJAFHN O[C@@H](CSc1ncnc2[nH]cnc21)CN1CCN([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521047 561863940 /nfs/dbraw/zinc/86/39/40/561863940.db2.gz UONUVYUFBWWHFK-XRKRLSELSA-N 0 3 536.705 4.880 1 0 KJAFHN O[C@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521048 561863907 /nfs/dbraw/zinc/86/39/07/561863907.db2.gz UONUVYUFBWWHFK-LMSSTIIKSA-N 0 3 536.705 4.880 1 0 KJAFHN O[C@H](CSc1ncnc2[nH]cnc21)CN1CCN([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027521048 561863906 /nfs/dbraw/zinc/86/39/06/561863906.db2.gz UONUVYUFBWWHFK-LMSSTIIKSA-N 0 3 536.705 4.880 1 0 KJAFHN CCN(CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2cc3ccccc3cc2Cl)C1=O ZINC000027523192 561864852 /nfs/dbraw/zinc/86/48/52/561864852.db2.gz UHKMVEBGFBGKHJ-RUZDIDTESA-N 0 3 519.951 4.535 1 0 KJAFHN CCN(CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@@](O)(c2cc3ccccc3cc2Cl)C1=O ZINC000027523193 561864913 /nfs/dbraw/zinc/86/49/13/561864913.db2.gz UHKMVEBGFBGKHJ-VWLOTQADSA-N 0 3 519.951 4.535 1 0 KJAFHN COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526717 561866430 /nfs/dbraw/zinc/86/64/30/561866430.db2.gz VKJWHZVTJUKYAU-HHHXNRCGSA-N 0 3 569.649 4.855 1 0 KJAFHN COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526719 561866447 /nfs/dbraw/zinc/86/64/47/561866447.db2.gz VKJWHZVTJUKYAU-MHZLTWQESA-N 0 3 569.649 4.855 1 0 KJAFHN COC(=O)c1ccccc1N1CCN(CCCCCN2C(C)=NC(C)=C(C(=O)OC)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000027547444 561867083 /nfs/dbraw/zinc/86/70/83/561867083.db2.gz JYFJUOGHGPLWFO-GDLZYMKVSA-N 0 3 568.665 4.966 1 0 KJAFHN COC(=O)c1ccccc1N1CCN(CCCCCN2C(C)=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000027547449 561867073 /nfs/dbraw/zinc/86/70/73/561867073.db2.gz JYFJUOGHGPLWFO-LJAQVGFWSA-N 0 3 568.665 4.966 1 0 KJAFHN COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027552523 561868315 /nfs/dbraw/zinc/86/83/15/561868315.db2.gz BLFCXMMGSUUVCS-AFJIDDCJSA-N 0 3 567.681 4.524 1 0 KJAFHN COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027552526 561868335 /nfs/dbraw/zinc/86/83/35/561868335.db2.gz BLFCXMMGSUUVCS-WRONEBCDSA-N 0 3 567.681 4.524 1 0 KJAFHN COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027552924 561868467 /nfs/dbraw/zinc/86/84/67/561868467.db2.gz BLFCXMMGSUUVCS-ACSYHNTCSA-N 0 3 567.681 4.524 1 0 KJAFHN COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027552926 561868424 /nfs/dbraw/zinc/86/84/24/561868424.db2.gz BLFCXMMGSUUVCS-OLILMLBXSA-N 0 3 567.681 4.524 1 0 KJAFHN CC(C)[C@H](N)C(=O)C[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCc2ccc(cc2)OCCOCCCOCCNC(=O)[C@H](C(C)C)CC1=O ZINC000027553298 561868572 /nfs/dbraw/zinc/86/85/72/561868572.db2.gz MAJOUNQURPGLIM-ABISCCFTSA-N 0 3 652.873 4.561 1 0 KJAFHN CC(C)[C@H](N)C(=O)C[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCc2ccc(cc2)OCCOCCOCCCOCCNC(=O)[C@H](C(C)C)CC1=O ZINC000027555509 561869484 /nfs/dbraw/zinc/86/94/84/561869484.db2.gz NDGQANLGOVYHRR-BCMNRYJBSA-N 0 3 696.926 4.578 1 0 KJAFHN CCCOc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1 ZINC000027556473 561869633 /nfs/dbraw/zinc/86/96/33/561869633.db2.gz LYSUJPZQRUGQAF-HSZRJFAPSA-N 0 3 568.653 4.692 1 0 KJAFHN CCOC1CCN(C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027622364 561872634 /nfs/dbraw/zinc/87/26/34/561872634.db2.gz LDXKTSXBTWBIRA-MHZLTWQESA-N 0 3 508.534 4.839 1 0 KJAFHN CC(C)CC1C(=O)N(COP(=O)(Oc2ccccc2)Oc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027627008 561873168 /nfs/dbraw/zinc/87/31/68/561873168.db2.gz GVMNKNPEYDRCBJ-DEOSSOPVSA-N 0 3 532.555 4.773 1 0 KJAFHN CC(C)CC1C(=O)N(COP(=O)(Oc2ccccc2)Oc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027627011 561873201 /nfs/dbraw/zinc/87/32/01/561873201.db2.gz GVMNKNPEYDRCBJ-XMMPIXPASA-N 0 3 532.555 4.773 1 0 KJAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(Cl)cc1 ZINC000027628071 561873338 /nfs/dbraw/zinc/87/33/38/561873338.db2.gz MRARUCIBECYWKQ-UHFFFAOYSA-N 0 3 500.474 4.781 1 0 KJAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccnc2ccccc21 ZINC000027634966 561874340 /nfs/dbraw/zinc/87/43/40/561874340.db2.gz GEGPJSDDNDJWQA-UHFFFAOYSA-N 0 3 517.077 4.676 1 0 KJAFHN COc1c(I)cc(C[C@@H]2[NH2+]CCc3c(I)c([O-])ccc32)cc1I ZINC000027638741 561874937 /nfs/dbraw/zinc/87/49/37/561874937.db2.gz PPOANRRZHKITOA-AWEZNQCLSA-N 0 3 647.032 4.644 1 0 KJAFHN COc1c(I)cc(C[C@H]2[NH2+]CCc3c(I)c([O-])ccc32)cc1I ZINC000027638747 561874994 /nfs/dbraw/zinc/87/49/94/561874994.db2.gz PPOANRRZHKITOA-CQSZACIVSA-N 0 3 647.032 4.644 1 0 KJAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)[C@@H]1CCc2ccccc2C1 ZINC000027643485 561875578 /nfs/dbraw/zinc/87/55/78/561875578.db2.gz GKTORSSXCLMQSU-RUZDIDTESA-N 0 3 520.121 4.619 1 0 KJAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)[C@H]1CCc2ccccc2C1 ZINC000027643495 561875526 /nfs/dbraw/zinc/87/55/26/561875526.db2.gz GKTORSSXCLMQSU-VWLOTQADSA-N 0 3 520.121 4.619 1 0 KJAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc(C)cn3)cc1)CC2 ZINC000027655909 561877509 /nfs/dbraw/zinc/87/75/09/561877509.db2.gz XBTORQNXODRZBR-UHFFFAOYSA-N 0 3 551.647 4.908 1 0 KJAFHN Cc1nc2cc3c4c(cccc4C(=O)N(CCN(C)CCCN(C)CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656915 561877793 /nfs/dbraw/zinc/87/77/93/561877793.db2.gz AGVSNIPBBRXCTM-UHFFFAOYSA-N 0 3 656.747 4.508 1 0 KJAFHN COc1c(I)cc(C[C@@H]2[NH2+]CCc3cc([O-])c(I)cc32)cc1I ZINC000027657071 561877971 /nfs/dbraw/zinc/87/79/71/561877971.db2.gz QMBGKNWFWIQSQQ-HNNXBMFYSA-N 0 3 647.032 4.644 1 0 KJAFHN COc1c(I)cc(C[C@H]2[NH2+]CCc3cc([O-])c(I)cc32)cc1I ZINC000027657072 561877983 /nfs/dbraw/zinc/87/79/83/561877983.db2.gz QMBGKNWFWIQSQQ-OAHLLOKOSA-N 0 3 647.032 4.644 1 0 KJAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnccn3)cc1)CC2 ZINC000027707625 561879086 /nfs/dbraw/zinc/87/90/86/561879086.db2.gz IDZZHGHDXHPQLK-UHFFFAOYSA-N 0 3 537.620 4.599 1 0 KJAFHN CCOc1c(Br)cc(I)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000027721877 561880631 /nfs/dbraw/zinc/88/06/31/561880631.db2.gz WVOMXHBUPWHREX-UHFFFAOYSA-N 0 3 556.242 4.886 1 0 KJAFHN CCOc1c(I)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000027731020 561881353 /nfs/dbraw/zinc/88/13/53/561881353.db2.gz LWIWZOCBWMDGNC-UHFFFAOYSA-N 0 3 556.242 4.886 1 0 KJAFHN CCOc1c(I)cc(I)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000027744569 561882775 /nfs/dbraw/zinc/88/27/75/561882775.db2.gz MSXKMGXVYJAPPL-UHFFFAOYSA-N 0 3 603.242 4.728 1 0 KJAFHN CCCCNC(=O)O[C@H]1C(=O)N(CCN(C)C)c2ccc(Cl)cc2S[C@@H]1c1ccc(OC)cc1 ZINC000027758933 561883804 /nfs/dbraw/zinc/88/38/04/561883804.db2.gz LAXSKPYCEFUFDC-DHIUTWEWSA-N 0 3 506.068 4.985 1 0 KJAFHN CCCCNC(=O)O[C@@H]1C(=O)N(CCN(C)C)c2ccc(Cl)cc2S[C@@H]1c1ccc(OC)cc1 ZINC000027758939 561883746 /nfs/dbraw/zinc/88/37/46/561883746.db2.gz LAXSKPYCEFUFDC-XZOQPEGZSA-N 0 3 506.068 4.985 1 0 KJAFHN CCCCNC(=O)O[C@H]1C(=O)N(CCN(C)C)c2ccc(Cl)cc2S[C@H]1c1ccc(OC)cc1 ZINC000027758947 561883810 /nfs/dbraw/zinc/88/38/10/561883810.db2.gz LAXSKPYCEFUFDC-PKTZIBPZSA-N 0 3 506.068 4.985 1 0 KJAFHN CCCCNC(=O)O[C@@H]1C(=O)N(CCN(C)C)c2ccc(Cl)cc2S[C@H]1c1ccc(OC)cc1 ZINC000027758955 561883754 /nfs/dbraw/zinc/88/37/54/561883754.db2.gz LAXSKPYCEFUFDC-GOTSBHOMSA-N 0 3 506.068 4.985 1 0 KJAFHN O=C1N(CCC2CCCC2)CCN1c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027764515 561884470 /nfs/dbraw/zinc/88/44/70/561884470.db2.gz RGXATHSMICGKLT-PMERELPUSA-N 0 3 577.751 4.570 1 0 KJAFHN O=C1N(CCCc2ccccc2)CCN1c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027859938 561887054 /nfs/dbraw/zinc/88/70/54/561887054.db2.gz KVUTWAGBLCNQDK-YTTGMZPUSA-N 0 3 599.757 4.623 1 0 KJAFHN COC(=O)c1ccc2c(c1)N(CCCN1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1S2 ZINC000027861917 561887090 /nfs/dbraw/zinc/88/70/90/561887090.db2.gz MDLDVQUKPNNPTE-UHFFFAOYSA-N 0 3 528.678 4.895 1 0 KJAFHN O=c1n(CCCC2CCCC2)ccn1-c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027862386 561887276 /nfs/dbraw/zinc/88/72/76/561887276.db2.gz TUMUJRMAOYVUBD-HKBQPEDESA-N 0 3 589.762 4.671 1 0 KJAFHN O=C1N(CCC2CCCCC2)CCN1c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027863400 561887404 /nfs/dbraw/zinc/88/74/04/561887404.db2.gz OCHOGRRCVDSWQT-HKBQPEDESA-N 0 3 591.778 4.961 1 0 KJAFHN CN(C)C(=O)c1ccc2c(c1)N(CCCN1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1S2 ZINC000027868308 561887953 /nfs/dbraw/zinc/88/79/53/561887953.db2.gz ARZLRNFVXIMWTP-UHFFFAOYSA-N 0 3 541.721 4.810 1 0 KJAFHN COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@H]4[C@@H](C2)N(C)CC[C@]314)C[C@H]1[C@H]2Cc3ccc(OC)c4c3[C@@]1(CCN2C)[C@H]5O4 ZINC000027979029 561891391 /nfs/dbraw/zinc/89/13/91/561891391.db2.gz BOZJVDGQCWRTFI-NSHPJJRGSA-N 0 3 577.725 4.640 1 0 KJAFHN COc1cc(C(=O)N2COC(CCN3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC ZINC000027988669 561892726 /nfs/dbraw/zinc/89/27/26/561892726.db2.gz IFGSPDNNHKRTOO-CFSNMGLFSA-N 0 3 626.722 4.960 1 0 KJAFHN COc1cc(C(=O)N2COC(CCN3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC ZINC000027988675 561892669 /nfs/dbraw/zinc/89/26/69/561892669.db2.gz IFGSPDNNHKRTOO-RUXKANOASA-N 0 3 626.722 4.960 1 0 KJAFHN CN1CCC(OC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027990435 561892995 /nfs/dbraw/zinc/89/29/95/561892995.db2.gz LAFPBEWYXXKTKR-XMMPIXPASA-N 0 3 533.898 4.534 1 0 KJAFHN CN1CCC(OC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027990441 561892954 /nfs/dbraw/zinc/89/29/54/561892954.db2.gz LAFPBEWYXXKTKR-DEOSSOPVSA-N 0 3 533.898 4.534 1 0 KJAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)CC(C)C ZINC000027992405 561893182 /nfs/dbraw/zinc/89/31/82/561893182.db2.gz CHMMYAJJHWJWON-SVBPBHIXSA-N 0 3 523.718 4.850 1 0 KJAFHN COc1cc(C(=O)N2COC(CCN3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000027995217 561893761 /nfs/dbraw/zinc/89/37/61/561893761.db2.gz GAIQLSPNSILBOM-BLPPHFNDSA-N 0 3 608.732 4.821 1 0 KJAFHN COc1cc(C(=O)N2COC(CCN3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000027995223 561893719 /nfs/dbraw/zinc/89/37/19/561893719.db2.gz GAIQLSPNSILBOM-ZUHDFBLUSA-N 0 3 608.732 4.821 1 0 KJAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N1CCCCC1 ZINC000027999833 561894442 /nfs/dbraw/zinc/89/44/42/561894442.db2.gz ZCWIRBQBJJSZDH-SVBPBHIXSA-N 0 3 521.702 4.748 1 0 KJAFHN CC[C@@H](C)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000028000360 561894561 /nfs/dbraw/zinc/89/45/61/561894561.db2.gz SRIKSRIESRUOBY-ICTDUYRTSA-N 0 3 523.718 4.993 1 0 KJAFHN CC[C@H](C)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000028000365 561894590 /nfs/dbraw/zinc/89/45/90/561894590.db2.gz SRIKSRIESRUOBY-CAVYSCNFSA-N 0 3 523.718 4.993 1 0 KJAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)C(C)C ZINC000028005307 561895296 /nfs/dbraw/zinc/89/52/96/561895296.db2.gz MYFQBOLGVURRKZ-UIOOFZCWSA-N 0 3 509.691 4.603 1 0 KJAFHN CCCCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000028006065 561895651 /nfs/dbraw/zinc/89/56/51/561895651.db2.gz LYTYYIKVZZVDKE-SVBPBHIXSA-N 0 3 523.718 4.994 1 0 KJAFHN CN(C)CCN(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028014390 561896971 /nfs/dbraw/zinc/89/69/71/561896971.db2.gz XUUKJPBPIUZXMS-UHFFFAOYSA-N 0 3 500.430 4.886 1 0 KJAFHN NC(=O)C1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000028022801 561898839 /nfs/dbraw/zinc/89/88/39/561898839.db2.gz VFHCWZOOWGZTFF-UHFFFAOYSA-N 0 3 526.424 4.590 1 0 KJAFHN CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000028087718 561899451 /nfs/dbraw/zinc/89/94/51/561899451.db2.gz RJCATVYOHCZSIZ-JEZWYNFKSA-N 0 3 673.858 4.683 1 0 KJAFHN COC(=O)[C@@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccc3ccccc31)N(C)[C@@H]2c1cccc2ccccc21 ZINC000028106653 561902317 /nfs/dbraw/zinc/90/23/17/561902317.db2.gz TXMXZMZUUUNETC-CUTKCQJKSA-N 0 3 536.628 4.554 1 0 KJAFHN CS(=O)(=O)N[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028132137 561905951 /nfs/dbraw/zinc/90/59/51/561905951.db2.gz VUAYHTLJMIUMTI-JIPXPUAJSA-N 0 3 575.562 4.629 1 0 KJAFHN CN(C(=O)CCCC(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCCc3ccccc3)C2)C1 ZINC000028132185 561905943 /nfs/dbraw/zinc/90/59/43/561905943.db2.gz XIDNOMAOWXFKDO-VSGBNLITSA-N 0 3 553.147 4.985 1 0 KJAFHN CN(C(=O)N1CC[C@H](N(C)C(=O)CCCC(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000028132192 561905937 /nfs/dbraw/zinc/90/59/37/561905937.db2.gz XIDNOMAOWXFKDO-IZLXSDGUSA-N 0 3 553.147 4.985 1 0 KJAFHN CN(C(=O)CCCC(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccccc3)C2)C1 ZINC000028132198 561905913 /nfs/dbraw/zinc/90/59/13/561905913.db2.gz XIDNOMAOWXFKDO-WUFINQPMSA-N 0 3 553.147 4.985 1 0 KJAFHN CN(C(=O)CCCC(=O)c1ccc(Cl)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CCN(CCCc3ccccc3)C2)C1 ZINC000028132205 561905931 /nfs/dbraw/zinc/90/59/31/561905931.db2.gz XIDNOMAOWXFKDO-NSOVKSMOSA-N 0 3 553.147 4.985 1 0 KJAFHN CN(C[C@@H](CCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028133653 561906177 /nfs/dbraw/zinc/90/61/77/561906177.db2.gz MRUDBBXMRPEBRY-CMTIAEDTSA-N 0 3 527.731 4.812 1 0 KJAFHN CS(=O)(=O)NC[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028134067 561906315 /nfs/dbraw/zinc/90/63/15/561906315.db2.gz BJPMPSOWBXBZCM-ZJSXRUAMSA-N 0 3 589.589 4.876 1 0 KJAFHN COc1cccc(-c2c3n(c(=O)n(C[C@@H](N)c4ccccc4)c2=O)[C@H](c2ccccc2F)CS3)c1Cl ZINC000028135315 561906469 /nfs/dbraw/zinc/90/64/69/561906469.db2.gz CAFJXNPXZRSSIV-RTWAWAEBSA-N 0 3 524.017 4.873 1 0 KJAFHN COc1cccc(-c2c3n(c(=O)n(C[C@@H](N)c4ccccc4)c2=O)[C@@H](c2ccccc2F)CS3)c1Cl ZINC000028135321 561906472 /nfs/dbraw/zinc/90/64/72/561906472.db2.gz CAFJXNPXZRSSIV-NHCUHLMSSA-N 0 3 524.017 4.873 1 0 KJAFHN COc1cccc(-c2c3n(c(=O)n(C[C@H](N)c4ccccc4)c2=O)[C@H](c2ccccc2F)CS3)c1Cl ZINC000028135326 561906455 /nfs/dbraw/zinc/90/64/55/561906455.db2.gz CAFJXNPXZRSSIV-SFTDATJTSA-N 0 3 524.017 4.873 1 0 KJAFHN COc1cccc(-c2c3n(c(=O)n(C[C@H](N)c4ccccc4)c2=O)[C@@H](c2ccccc2F)CS3)c1Cl ZINC000028135332 561906482 /nfs/dbraw/zinc/90/64/82/561906482.db2.gz CAFJXNPXZRSSIV-LEWJYISDSA-N 0 3 524.017 4.873 1 0 KJAFHN CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC1CCCCC1 ZINC000028222310 561907546 /nfs/dbraw/zinc/90/75/46/561907546.db2.gz KTLUBWJFRGGVCM-FIRIVFDPSA-N 0 3 598.792 4.836 1 0 KJAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC1CCCCC1 ZINC000028222315 561907511 /nfs/dbraw/zinc/90/75/11/561907511.db2.gz GWNIXYMXVCGCAZ-LOYHVIPDSA-N 0 3 584.765 4.576 1 0 KJAFHN CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028239519 561910264 /nfs/dbraw/zinc/91/02/64/561910264.db2.gz HSKLDBXVQAFVKT-DTQAZKPQSA-N 0 3 537.660 4.850 1 0 KJAFHN CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028244843 561910748 /nfs/dbraw/zinc/91/07/48/561910748.db2.gz LLSVWWKJYYDTJE-NTCAYCPXSA-N 0 3 515.679 4.720 1 0 KJAFHN CSc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1 ZINC000028256853 561911638 /nfs/dbraw/zinc/91/16/38/561911638.db2.gz HRBWNWYAQSUCLJ-UHFFFAOYSA-N 0 3 536.648 4.603 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNCc3ccccc3OC)c2=O)c1 ZINC000028259620 561912035 /nfs/dbraw/zinc/91/20/35/561912035.db2.gz QUAHGERGEDVAKS-LJQANCHMSA-N 0 3 535.591 4.680 1 0 KJAFHN COc1ccccc1CNC[C@@H](C)n1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2F)c1=O ZINC000028260190 561912014 /nfs/dbraw/zinc/91/20/14/561912014.db2.gz HCBZABVVDVASTO-GOSISDBHSA-N 0 3 553.581 4.819 1 0 KJAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CNCc3ccccc3OC)c2=O)c1 ZINC000028260599 561912040 /nfs/dbraw/zinc/91/20/40/561912040.db2.gz QUAHGERGEDVAKS-IBGZPJMESA-N 0 3 535.591 4.680 1 0 KJAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(Cl)c3)nn2CCCN2CCC(n3c4ccccc4[nH]c3=O)CC2)C1 ZINC000028336303 561913371 /nfs/dbraw/zinc/91/33/71/561913371.db2.gz MKYGARNTUSGEEH-UHFFFAOYSA-N 0 3 603.576 4.545 1 0 KJAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028336318 561913316 /nfs/dbraw/zinc/91/33/16/561913316.db2.gz DTHYSTMEINIJIK-UHFFFAOYSA-N 0 3 637.128 4.910 1 0 KJAFHN CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(Cl)cc3Cl)C2)cc(-c2nnnn2C)c1 ZINC000028337089 561913462 /nfs/dbraw/zinc/91/34/62/561913462.db2.gz IMIYWTMFIZBJJM-SFHVURJKSA-N 0 3 516.477 4.823 1 0 KJAFHN CCCCS(=O)(=O)C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCCN(C(C)C)C(C)C ZINC000028341171 561914127 /nfs/dbraw/zinc/91/41/27/561914127.db2.gz UDCDXNCZCAKQIN-MUUNZHRXSA-N 0 3 557.757 4.735 1 0 KJAFHN CCCCS(=O)(=O)C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCCN(C(C)C)C(C)C ZINC000028341179 561914105 /nfs/dbraw/zinc/91/41/05/561914105.db2.gz UDCDXNCZCAKQIN-NDEPHWFRSA-N 0 3 557.757 4.735 1 0 KJAFHN Cn1c2ccccc2n(C2CCN(CCCn3nc(-c4ccc(Cl)c(Cl)c4)c4c3CCN(S(C)(=O)=O)C4)CC2)c1=O ZINC000028342151 561914267 /nfs/dbraw/zinc/91/42/67/561914267.db2.gz YQQYXWVMTOUJTM-UHFFFAOYSA-N 0 3 617.603 4.555 1 0 KJAFHN CC(C)N(CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)c1ccccc1)C(C)C ZINC000028345218 561914720 /nfs/dbraw/zinc/91/47/20/561914720.db2.gz SHVDIURLQZQXJA-SSEXGKCCSA-N 0 3 577.747 4.994 1 0 KJAFHN CC(C)N(CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)c1ccccc1)C(C)C ZINC000028345224 561914727 /nfs/dbraw/zinc/91/47/27/561914727.db2.gz SHVDIURLQZQXJA-PMERELPUSA-N 0 3 577.747 4.994 1 0 KJAFHN O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2cccc3[nH]c4ccccc4c32)cc1 ZINC000028347413 561914996 /nfs/dbraw/zinc/91/49/96/561914996.db2.gz CUHKLIQKCIPDMY-DQEYMECFSA-N 0 3 524.621 4.898 1 0 KJAFHN O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028348020 561915138 /nfs/dbraw/zinc/91/51/38/561915138.db2.gz BNKNOCFPPRFXQZ-OUDXUNEISA-N 0 3 530.115 4.602 1 0 KJAFHN O=C(CNCc1ccccc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028348026 561915154 /nfs/dbraw/zinc/91/51/54/561915154.db2.gz BNKNOCFPPRFXQZ-UNVFRBQDSA-N 0 3 530.115 4.602 1 0 KJAFHN CS(=O)(=O)c1ccccc1/C=C/CN[C@H]1CCC[C@@H]1C(=O)NCc1ccc(-c2cccs2)s1 ZINC000028349975 561915375 /nfs/dbraw/zinc/91/53/75/561915375.db2.gz DXEALFMFBOSOJG-UOBDRKKNSA-N 0 3 500.711 4.968 1 0 KJAFHN COCCN(C)Cc1ccccc1-c1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Cl)cn2)C(=O)N2CCCCC2)cc1 ZINC000028353511 561915956 /nfs/dbraw/zinc/91/59/56/561915956.db2.gz IPGKSXQOVKSOCC-NDEPHWFRSA-N 0 3 592.140 4.620 1 0 KJAFHN CN(C)CCN(Cc1ccccc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028356209 561916203 /nfs/dbraw/zinc/91/62/03/561916203.db2.gz IUEONYOZUXHYSV-XPSQVAKYSA-N 0 3 693.336 4.994 1 0 KJAFHN CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(=O)OC(C)(C)C)S3(=O)=O)CC2)CC1 ZINC000028360672 561916723 /nfs/dbraw/zinc/91/67/23/561916723.db2.gz ARSNLQCMDVFQDA-UHFFFAOYSA-N 0 3 505.725 4.574 1 0 KJAFHN CCCN1CCC(Oc2nccc(Nc3cc(NC(=O)c4cccc(N5CCOCC5)c4)ccc3C)n2)CC1 ZINC000028362785 561917047 /nfs/dbraw/zinc/91/70/47/561917047.db2.gz BBOLHCAQUHPGPL-UHFFFAOYSA-N 0 3 530.673 4.871 1 0 KJAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(-c3ccccn3)cc2)CC1 ZINC000028368169 561917936 /nfs/dbraw/zinc/91/79/36/561917936.db2.gz MTAIUFVQPDGDHY-UHFFFAOYSA-N 0 3 597.789 4.762 1 0 KJAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)[C@@H](O)c1nccs1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028369278 561918055 /nfs/dbraw/zinc/91/80/55/561918055.db2.gz KBSFYQOVZMDRFN-VFBPOKLVSA-N 0 3 542.790 4.703 1 0 KJAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)[C@H](O)c1nccs1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028369282 561918067 /nfs/dbraw/zinc/91/80/67/561918067.db2.gz KBSFYQOVZMDRFN-OWZDVHHGSA-N 0 3 542.790 4.703 1 0 KJAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028370168 561918239 /nfs/dbraw/zinc/91/82/39/561918239.db2.gz VTHWRXDEYBXLGB-VFFUSFMMSA-N 0 3 673.943 4.862 1 0 KJAFHN COc1cc(NC[C@@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000028372285 561918617 /nfs/dbraw/zinc/91/86/17/561918617.db2.gz FCCXPRQHMYZMTN-MUUNZHRXSA-N 0 3 569.693 4.993 1 0 KJAFHN COc1cc(NC[C@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000028372293 561918595 /nfs/dbraw/zinc/91/85/95/561918595.db2.gz FCCXPRQHMYZMTN-NDEPHWFRSA-N 0 3 569.693 4.993 1 0 KJAFHN COCCN(C)Cc1ccccc1-c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCCC2)cc1 ZINC000028372362 561918602 /nfs/dbraw/zinc/91/86/02/561918602.db2.gz DPROMYPNLAQOTF-MUUNZHRXSA-N 0 3 636.591 4.729 1 0 KJAFHN CN(CCc1ccccn1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028373416 561918747 /nfs/dbraw/zinc/91/87/47/561918747.db2.gz FJWOXGHISFSVOD-VSJLXWSYSA-N 0 3 651.255 4.500 1 0 KJAFHN C[C@@H](NCc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374258 561918965 /nfs/dbraw/zinc/91/89/65/561918965.db2.gz UQMVIJQKWVLCJN-PBHCEWPQSA-N 0 3 626.201 4.874 1 0 KJAFHN C[C@H](NCc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374266 561918938 /nfs/dbraw/zinc/91/89/38/561918938.db2.gz UQMVIJQKWVLCJN-YMHHMKOLSA-N 0 3 626.201 4.874 1 0 KJAFHN COCCN(C)Cc1ccccc1-c1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCCC2)cc1 ZINC000028374637 561918959 /nfs/dbraw/zinc/91/89/59/561918959.db2.gz DPROMYPNLAQOTF-NDEPHWFRSA-N 0 3 636.591 4.729 1 0 KJAFHN COCCN(C)Cc1ccccc1-c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Cl)cn2)C(=O)N2CCCCC2)cc1 ZINC000028377015 561919341 /nfs/dbraw/zinc/91/93/41/561919341.db2.gz IPGKSXQOVKSOCC-MUUNZHRXSA-N 0 3 592.140 4.620 1 0 KJAFHN NC(=O)C1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000028377756 561919579 /nfs/dbraw/zinc/91/95/79/561919579.db2.gz YJDVSCUVUKMJDZ-RRPNLBNLSA-N 0 3 506.624 4.641 1 0 KJAFHN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)CN1CCC(O)CC1 ZINC000028378334 561919692 /nfs/dbraw/zinc/91/96/92/561919692.db2.gz OGXAHZTXEZEYRF-KRWDZBQOSA-N 0 3 543.007 4.786 1 0 KJAFHN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)CN1CCC(O)CC1 ZINC000028378340 561919697 /nfs/dbraw/zinc/91/96/97/561919697.db2.gz OGXAHZTXEZEYRF-QGZVFWFLSA-N 0 3 543.007 4.786 1 0 KJAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(-c3ccncc3)cc2)CC1 ZINC000028383499 561920700 /nfs/dbraw/zinc/92/07/00/561920700.db2.gz AKXNJHZVODKEML-UHFFFAOYSA-N 0 3 597.789 4.762 1 0 KJAFHN COc1ccc2ccccc2c1CCCCN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1 ZINC000028385053 561920948 /nfs/dbraw/zinc/92/09/48/561920948.db2.gz KLYBPNHUSHFSOF-WJOKGBTCSA-N 0 3 518.721 4.917 1 0 KJAFHN COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1 ZINC000028385060 561920955 /nfs/dbraw/zinc/92/09/55/561920955.db2.gz KLYBPNHUSHFSOF-HKBQPEDESA-N 0 3 518.721 4.917 1 0 KJAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(-c3cccnc3)cc2)CC1 ZINC000028386570 561921221 /nfs/dbraw/zinc/92/12/21/561921221.db2.gz UCNSWYNASPIUFL-UHFFFAOYSA-N 0 3 597.789 4.762 1 0 KJAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000028387115 561921455 /nfs/dbraw/zinc/92/14/55/561921455.db2.gz YWKRGKNSXABVSP-UHFFFAOYSA-N 0 3 624.133 4.767 1 0 KJAFHN CN1CCN(CCC[N@@H+](C)CC[C@@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028387475 561921365 /nfs/dbraw/zinc/92/13/65/561921365.db2.gz SOEPONMIESQTFA-OAQYLSRUSA-N 0 3 613.146 4.985 1 0 KJAFHN CN1CCN(CCC[N@H+](C)CC[C@@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028387475 561921363 /nfs/dbraw/zinc/92/13/63/561921363.db2.gz SOEPONMIESQTFA-OAQYLSRUSA-N 0 3 613.146 4.985 1 0 KJAFHN CN1CCN(CCC[N@@H+](C)CC[C@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028387480 561921409 /nfs/dbraw/zinc/92/14/09/561921409.db2.gz SOEPONMIESQTFA-NRFANRHFSA-N 0 3 613.146 4.985 1 0 KJAFHN CN1CCN(CCC[N@H+](C)CC[C@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028387480 561921408 /nfs/dbraw/zinc/92/14/08/561921408.db2.gz SOEPONMIESQTFA-NRFANRHFSA-N 0 3 613.146 4.985 1 0 KJAFHN CN(CCC[NH+](C)C)C[C@@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-] ZINC000028389424 561921954 /nfs/dbraw/zinc/92/19/54/561921954.db2.gz XWCZGIMYIJNHEV-QGZVFWFLSA-N 0 3 544.039 4.909 1 0 KJAFHN CN(CCC[NH+](C)C)C[C@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-] ZINC000028389430 561921889 /nfs/dbraw/zinc/92/18/89/561921889.db2.gz XWCZGIMYIJNHEV-KRWDZBQOSA-N 0 3 544.039 4.909 1 0 KJAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)NCCc1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028389620 561921885 /nfs/dbraw/zinc/92/18/85/561921885.db2.gz LKJHQAHXFVWIMK-GQOIUCMHSA-N 0 3 576.826 4.871 1 0 KJAFHN Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@@H]2COCCN2)cc(C)c1C ZINC000028391994 561922543 /nfs/dbraw/zinc/92/25/43/561922543.db2.gz XPTSNEGNQIBUPL-GOSISDBHSA-N 0 3 554.072 4.635 1 0 KJAFHN Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@H]2COCCN2)cc(C)c1C ZINC000028392000 561922568 /nfs/dbraw/zinc/92/25/68/561922568.db2.gz XPTSNEGNQIBUPL-SFHVURJKSA-N 0 3 554.072 4.635 1 0 KJAFHN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccc(C)c(C)c1)C(C)(C)C ZINC000028393099 561922621 /nfs/dbraw/zinc/92/26/21/561922621.db2.gz WEXIALMUDFQIST-YIGHTBQESA-N 0 3 529.766 4.692 1 0 KJAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCN(Cc2ccccc2)CC1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028458757 561924686 /nfs/dbraw/zinc/92/46/86/561924686.db2.gz CDBOWLBYGATSGT-CKONCYBQSA-N 0 3 631.906 4.857 1 0 KJAFHN N[C@@H](Cn1c(=O)c(-c2ccccc2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000028474272 561927635 /nfs/dbraw/zinc/92/76/35/561927635.db2.gz UTSGVJXMPRFWPJ-QHCPKHFHSA-N 0 3 501.455 4.722 1 0 KJAFHN CS(=O)(=O)c1cccc(C(F)(F)F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c1=O ZINC000028474722 561927595 /nfs/dbraw/zinc/92/75/95/561927595.db2.gz DRNQSEBYBCTSCP-QHCPKHFHSA-N 0 3 578.012 4.501 1 0 KJAFHN COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](N)c3ccccc3)c2=O)c1F ZINC000028475769 561927937 /nfs/dbraw/zinc/92/79/37/561927937.db2.gz JZIURJIEJBKSKI-JOCHJYFZSA-N 0 3 531.481 4.731 1 0 KJAFHN COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F ZINC000028476363 561928190 /nfs/dbraw/zinc/92/81/90/561928190.db2.gz JZIURJIEJBKSKI-QFIPXVFZSA-N 0 3 531.481 4.731 1 0 KJAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(n3cnc4cccnc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028520604 561928915 /nfs/dbraw/zinc/92/89/15/561928915.db2.gz MYLXMKJPWQSBJE-DKRHUIDYSA-N 0 3 501.675 4.817 1 0 KJAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(n3cnc4cccnc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028520604 561928913 /nfs/dbraw/zinc/92/89/13/561928913.db2.gz MYLXMKJPWQSBJE-DKRHUIDYSA-N 0 3 501.675 4.817 1 0 KJAFHN O=C(Oc1cccc2c3c([nH]c21)[C@H]1Oc2c4c(ccc2O)C[C@H]2N(CC5CC5)CC[C@]41[C@@]2(O)C3)c1ccccc1 ZINC000028521587 561929278 /nfs/dbraw/zinc/92/92/78/561929278.db2.gz SLGSSMYMICBOSP-QZOULDPWSA-N 0 3 534.612 4.792 1 0 KJAFHN O=C(Oc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)c1ccccc1 ZINC000028522458 561929552 /nfs/dbraw/zinc/92/95/52/561929552.db2.gz BYORKABZAJJLNM-TZKLVDRNSA-N 0 3 534.612 4.792 1 0 KJAFHN O=C(Oc1ccc2c(c1)[nH]c1c2C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5)c1ccccc1 ZINC000028522684 561929521 /nfs/dbraw/zinc/92/95/21/561929521.db2.gz YDIVJSMBPBAXTA-TZKLVDRNSA-N 0 3 534.612 4.792 1 0 KJAFHN O=C(Oc1cccc2[nH]c3c(c21)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)c1ccccc1 ZINC000028523991 561930591 /nfs/dbraw/zinc/93/05/91/561930591.db2.gz MRKLHNJPXVBQFT-QZOULDPWSA-N 0 3 534.612 4.792 1 0 KJAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(n3nnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028524459 561930881 /nfs/dbraw/zinc/93/08/81/561930881.db2.gz QISMFKACLOKXEM-IHTKTJBKSA-N 0 3 501.675 4.817 1 0 KJAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(n3nnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028524459 561930880 /nfs/dbraw/zinc/93/08/80/561930880.db2.gz QISMFKACLOKXEM-IHTKTJBKSA-N 0 3 501.675 4.817 1 0 KJAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(n3cnc4ncccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028525507 561931365 /nfs/dbraw/zinc/93/13/65/561931365.db2.gz CFTVRLVKUCECGP-DKRHUIDYSA-N 0 3 501.675 4.817 1 0 KJAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(n3cnc4ncccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028525507 561931364 /nfs/dbraw/zinc/93/13/64/561931364.db2.gz CFTVRLVKUCECGP-DKRHUIDYSA-N 0 3 501.675 4.817 1 0 KJAFHN N[C@@H](CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1)c1ccccc1 ZINC000028529260 561933853 /nfs/dbraw/zinc/93/38/53/561933853.db2.gz BQQDZPHKRDTWLB-JHOUSYSJSA-N 0 3 644.260 4.663 1 0 KJAFHN N[C@H](CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1)c1ccccc1 ZINC000028529262 561933923 /nfs/dbraw/zinc/93/39/23/561933923.db2.gz BQQDZPHKRDTWLB-CZNDPXEESA-N 0 3 644.260 4.663 1 0 KJAFHN O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3Cc4ccccc4CN3)CC2)CCCCC1 ZINC000028529373 561933981 /nfs/dbraw/zinc/93/39/81/561933981.db2.gz XSIHRKSWHLAHSS-OIDHKYIRSA-N 0 3 670.298 4.678 1 0 KJAFHN O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3Cc4ccccc4CN3)CC2)CCCCC1 ZINC000028529376 561934065 /nfs/dbraw/zinc/93/40/65/561934065.db2.gz XSIHRKSWHLAHSS-VSJLXWSYSA-N 0 3 670.298 4.678 1 0 KJAFHN COc1cc2c(cc1OCCN1CCC(CCO)CC1)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)s1 ZINC000028568051 561937154 /nfs/dbraw/zinc/93/71/54/561937154.db2.gz YHHMYGXRMGNXTI-UHFFFAOYSA-N 0 3 580.686 4.632 1 0 KJAFHN COc1cccc([C@@H](c2ccc3c(c2)C[N@H+](CC(=O)[O-])CC3)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568852 561937499 /nfs/dbraw/zinc/93/74/99/561937499.db2.gz VZHGAQSLJSYVIX-FXZPAHAQSA-N 0 3 513.682 4.822 1 0 KJAFHN COc1cccc([C@@H](c2ccc3c(c2)C[N@@H+](CC(=O)[O-])CC3)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568852 561937498 /nfs/dbraw/zinc/93/74/98/561937498.db2.gz VZHGAQSLJSYVIX-FXZPAHAQSA-N 0 3 513.682 4.822 1 0 KJAFHN O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000028569149 561937741 /nfs/dbraw/zinc/93/77/41/561937741.db2.gz CZWFBIJIVQEVBG-UHFFFAOYSA-N 0 3 510.560 4.560 1 0 KJAFHN CN1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3c(OC3CCOCC3)c2)CC1 ZINC000028571655 561939388 /nfs/dbraw/zinc/93/93/88/561939388.db2.gz UYNGIWGAHXGANL-UHFFFAOYSA-N 0 3 530.044 4.740 1 0 KJAFHN CN1CCC(Cn2c3ccccc3c3c2[C@H](Oc2ccc(Cl)cc2)C[C@@H](N2CCN(C)CC2)C3=O)CC1 ZINC000028571740 561939547 /nfs/dbraw/zinc/93/95/47/561939547.db2.gz JQOSMURZPWPUEW-KAYWLYCHSA-N 0 3 521.105 4.959 1 0 KJAFHN CN1CCC(Cn2c3ccccc3c3c2[C@H](Oc2ccc(Cl)cc2)C[C@H](N2CCN(C)CC2)C3=O)CC1 ZINC000028571741 561939550 /nfs/dbraw/zinc/93/95/50/561939550.db2.gz JQOSMURZPWPUEW-RRPNLBNLSA-N 0 3 521.105 4.959 1 0 KJAFHN CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CCNC[C@@H]3F)C2=O)CC1 ZINC000028572385 561939989 /nfs/dbraw/zinc/93/99/89/561939989.db2.gz NLNIZEJOWHVZBP-LMRXRJEBSA-N 0 3 525.068 4.565 1 0 KJAFHN CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CCNC[C@@H]3F)C2=O)CC1 ZINC000028572386 561940051 /nfs/dbraw/zinc/94/00/51/561940051.db2.gz NLNIZEJOWHVZBP-QTYVQNMISA-N 0 3 525.068 4.565 1 0 KJAFHN CCCc1c(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br ZINC000028603996 561940385 /nfs/dbraw/zinc/94/03/85/561940385.db2.gz FLQHAMHLQRATPW-UHFFFAOYSA-N 0 3 583.575 4.772 1 0 KJAFHN COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 ZINC000028635139 561940945 /nfs/dbraw/zinc/94/09/45/561940945.db2.gz PWQYLDSMPYWAPW-HHHXNRCGSA-N 0 3 552.679 4.553 1 0 KJAFHN COc1cc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1 ZINC000028635399 561941025 /nfs/dbraw/zinc/94/10/25/561941025.db2.gz ACNDZZGAEOBNLV-MUUNZHRXSA-N 0 3 552.679 4.553 1 0 KJAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(F)cc1 ZINC000028635414 561940992 /nfs/dbraw/zinc/94/09/92/561940992.db2.gz NNYSQGTZNAYGPU-AREMUKBSSA-N 0 3 510.617 4.675 1 0 KJAFHN COc1cccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 ZINC000028635661 561941005 /nfs/dbraw/zinc/94/10/05/561941005.db2.gz JAHFJGFWRAHHHS-MUUNZHRXSA-N 0 3 536.680 4.739 1 0 KJAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(F)cc1 ZINC000028635674 561941018 /nfs/dbraw/zinc/94/10/18/561941018.db2.gz OMQXCGLSXYUOJX-HHHXNRCGSA-N 0 3 524.644 4.869 1 0 KJAFHN COc1ccc(CCn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028635679 561941136 /nfs/dbraw/zinc/94/11/36/561941136.db2.gz LNXNSJSFRCLLIC-GDLZYMKVSA-N 0 3 550.707 4.933 1 0 KJAFHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccs1 ZINC000028635682 561941121 /nfs/dbraw/zinc/94/11/21/561941121.db2.gz FQYAMFHJTCLSLB-RUZDIDTESA-N 0 3 512.683 4.792 1 0 KJAFHN COc1ccccc1Cn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N ZINC000028636252 561941283 /nfs/dbraw/zinc/94/12/83/561941283.db2.gz KNTQTXIJQSBULD-AREMUKBSSA-N 0 3 522.653 4.544 1 0 KJAFHN COc1cccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 ZINC000028636475 561941202 /nfs/dbraw/zinc/94/12/02/561941202.db2.gz WCWCRSIZVYPVNK-HHHXNRCGSA-N 0 3 522.653 4.544 1 0 KJAFHN COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028636642 561941225 /nfs/dbraw/zinc/94/12/25/561941225.db2.gz DCAIAEDSMBLLML-HHHXNRCGSA-N 0 3 522.653 4.544 1 0 KJAFHN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028636892 561941395 /nfs/dbraw/zinc/94/13/95/561941395.db2.gz WNCKTUWHWHEBJE-MUUNZHRXSA-N 0 3 536.680 4.739 1 0 KJAFHN Cc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028637113 561941506 /nfs/dbraw/zinc/94/15/06/561941506.db2.gz FHXUIOKRAFFICC-HHHXNRCGSA-N 0 3 506.654 4.844 1 0 KJAFHN CN(C)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000028638774 561942338 /nfs/dbraw/zinc/94/23/38/561942338.db2.gz RBXSPFGCNDTMFA-MHZLTWQESA-N 0 3 543.668 4.526 1 0 KJAFHN CN(CCCNC(=O)c1ccc(-n2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)Cc1ccccc1 ZINC000028640295 561942704 /nfs/dbraw/zinc/94/27/04/561942704.db2.gz IHSROOJQIBCJQK-UHFFFAOYSA-N 0 3 537.483 4.689 1 0 KJAFHN COCCNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000028643133 561944047 /nfs/dbraw/zinc/94/40/47/561944047.db2.gz DOOVVKGISQQLQL-CLJLJLNGSA-N 0 3 609.642 4.630 1 0 KJAFHN COCCNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000028643247 561944038 /nfs/dbraw/zinc/94/40/38/561944038.db2.gz QVLNHQZPFVQQAJ-CLJLJLNGSA-N 0 3 610.535 4.918 1 0 KJAFHN CN(C)Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000028643407 561944093 /nfs/dbraw/zinc/94/40/93/561944093.db2.gz JZDWFVSJVHLGNS-FQLXRVMXSA-N 0 3 543.689 4.951 1 0 KJAFHN COc1ccc([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)N2CCN(C)CC2)cc1 ZINC000028646222 561944880 /nfs/dbraw/zinc/94/48/80/561944880.db2.gz HMQVCJIGWYHYGP-JGCGQSQUSA-N 0 3 500.731 4.777 1 0 KJAFHN COc1ccc([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)N2CCN(C)CC2)cc1 ZINC000028646225 561944955 /nfs/dbraw/zinc/94/49/55/561944955.db2.gz HMQVCJIGWYHYGP-YTTGMZPUSA-N 0 3 500.731 4.777 1 0 KJAFHN COc1ccc(CCCCN2CCN(C[C@H](c3ccc(F)cc3)N3CCN(C)CC3)CC2)c2ccccc12 ZINC000028646257 561944892 /nfs/dbraw/zinc/94/48/92/561944892.db2.gz LAGULULXSICSKS-WJOKGBTCSA-N 0 3 518.721 4.917 1 0 KJAFHN COc1ccc(CCCCN2CCN(C[C@@H](c3ccc(F)cc3)N3CCN(C)CC3)CC2)c2ccccc12 ZINC000028646260 561944993 /nfs/dbraw/zinc/94/49/93/561944993.db2.gz LAGULULXSICSKS-HKBQPEDESA-N 0 3 518.721 4.917 1 0 KJAFHN CS(=O)(=O)N1CCC(CN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@@H]2CC[C@]3(c4cccc(CN5CC[C@H](O)C5)c4)C[C@@H]3C2)CC1 ZINC000028650192 561945943 /nfs/dbraw/zinc/94/59/43/561945943.db2.gz HQSKPDKYNHSDCK-AXWQWZDISA-N 0 3 650.673 4.971 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000028705174 561948907 /nfs/dbraw/zinc/94/89/07/561948907.db2.gz WYWFEQYXSIMDBU-IOWSJCHKSA-N 0 3 545.724 4.758 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)cc(C(=O)OCC)c1 ZINC000028705258 561949014 /nfs/dbraw/zinc/94/90/14/561949014.db2.gz XCFURYZGUYZVSE-AJQTZOPKSA-N 0 3 603.760 4.626 1 0 KJAFHN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)c(OC)c1 ZINC000028705653 561949132 /nfs/dbraw/zinc/94/91/32/561949132.db2.gz QCDAJYORYPWZMU-BNHRFMORSA-N 0 3 683.785 4.760 1 0 KJAFHN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)c(OC)c1 ZINC000028705656 561949168 /nfs/dbraw/zinc/94/91/68/561949168.db2.gz QCDAJYORYPWZMU-QNLPTKCRSA-N 0 3 683.785 4.760 1 0 KJAFHN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H](C)N3CCCC3)CC2)c(OC)c1 ZINC000028705677 561949147 /nfs/dbraw/zinc/94/91/47/561949147.db2.gz GVVQKTLBSUQUJJ-DQEYMECFSA-N 0 3 671.774 4.617 1 0 KJAFHN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H](C)N3CCCC3)CC2)c(OC)c1 ZINC000028705680 561949145 /nfs/dbraw/zinc/94/91/45/561949145.db2.gz GVVQKTLBSUQUJJ-RPBOFIJWSA-N 0 3 671.774 4.617 1 0 KJAFHN CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@@H](C(=O)Nc3ccccc3)c3ccccc32)CC1 ZINC000028706021 561949283 /nfs/dbraw/zinc/94/92/83/561949283.db2.gz SQHSBKCTWNMWPU-PQHLKRTFSA-N 0 3 566.746 4.918 1 0 KJAFHN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)[C@H]4CCN(Cc5ccccc5)C4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706590 561949801 /nfs/dbraw/zinc/94/98/01/561949801.db2.gz BKOPWXFJVJIOMD-XGNZJKERSA-N 0 3 591.774 4.537 1 0 KJAFHN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)[C@@H]4CCN(Cc5ccccc5)C4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706595 561949770 /nfs/dbraw/zinc/94/97/70/561949770.db2.gz BKOPWXFJVJIOMD-KPNCYPGSSA-N 0 3 591.774 4.537 1 0 KJAFHN CCc1ccc(S(=O)(=O)N[C@H]2c3cc(C(=O)N(CC)[C@H]4CCN(Cc5ccccc5)C4)ccc3OC(C)(C)[C@@H]2O)cc1 ZINC000028706845 561949776 /nfs/dbraw/zinc/94/97/76/561949776.db2.gz BKOPWXFJVJIOMD-HOSFBAFGSA-N 0 3 591.774 4.537 1 0 KJAFHN CCc1ccc(S(=O)(=O)N[C@H]2c3cc(C(=O)N(CC)[C@@H]4CCN(Cc5ccccc5)C4)ccc3OC(C)(C)[C@@H]2O)cc1 ZINC000028706849 561949825 /nfs/dbraw/zinc/94/98/25/561949825.db2.gz BKOPWXFJVJIOMD-SATCGAIXSA-N 0 3 591.774 4.537 1 0 KJAFHN O=C(NCCC1CCN(c2ccncc2)CC1)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br ZINC000028711946 561952624 /nfs/dbraw/zinc/95/26/24/561952624.db2.gz ZKUXTWRLIFGGCT-UHFFFAOYSA-N 0 3 531.842 4.509 1 0 KJAFHN Cn1nc(C(=O)NCCC2CCN(c3ccncc3)CC2)c(Br)c1NC(=O)c1ccccc1Cl ZINC000028711990 561952564 /nfs/dbraw/zinc/95/25/64/561952564.db2.gz PODWRVJRDFNJLB-UHFFFAOYSA-N 0 3 545.869 4.520 1 0 KJAFHN Cn1nc(NC(=O)c2ccccc2Cl)c(Br)c1C(=O)NCCC1CCN(c2ccncc2)CC1 ZINC000028711992 561952606 /nfs/dbraw/zinc/95/26/06/561952606.db2.gz ASAUYKLLTQQFHN-UHFFFAOYSA-N 0 3 545.869 4.520 1 0 KJAFHN CN(C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4ccc(OC(F)(F)F)cc4)cc(c32)C1=O ZINC000028712278 561952844 /nfs/dbraw/zinc/95/28/44/561952844.db2.gz WRVSBICXIHCSJV-UHFFFAOYSA-N 0 3 502.518 4.705 1 0 KJAFHN COc1ccc(CCN2CCC[C@H]2CNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC ZINC000028714004 561954429 /nfs/dbraw/zinc/95/44/29/561954429.db2.gz MRHYRUNEBSENJS-VWLOTQADSA-N 0 3 538.648 4.941 1 0 KJAFHN COc1ccc(CCN2CCC[C@@H]2CNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC ZINC000028714005 561954412 /nfs/dbraw/zinc/95/44/12/561954412.db2.gz MRHYRUNEBSENJS-RUZDIDTESA-N 0 3 538.648 4.941 1 0 KJAFHN O=C(CCCOc1ccccc1)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714023 561954422 /nfs/dbraw/zinc/95/44/22/561954422.db2.gz GQLDCOPRIBXSPN-UHFFFAOYSA-N 0 3 524.109 4.673 1 0 KJAFHN CCOc1ccc(C(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000028714024 561954449 /nfs/dbraw/zinc/95/44/49/561954449.db2.gz UOOCUKDYAQEDFS-UHFFFAOYSA-N 0 3 510.082 4.527 1 0 KJAFHN O=C(CCCc1ccccc1)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714025 561954477 /nfs/dbraw/zinc/95/44/77/561954477.db2.gz RRNQHEIQPBLOQF-UHFFFAOYSA-N 0 3 508.110 4.837 1 0 KJAFHN Cc1ccc(S(=O)(=O)N(c2cccc(OCCNc3ccncc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000028759359 561957570 /nfs/dbraw/zinc/95/75/70/561957570.db2.gz HCOGBTBBUQFXHI-UHFFFAOYSA-N 0 3 537.663 4.774 1 0 KJAFHN Cc1cc(N2CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc54)cc3)CC2)nc(N)n1 ZINC000028766659 561959828 /nfs/dbraw/zinc/95/98/28/561959828.db2.gz QGEFCECVPKGARW-UHFFFAOYSA-N 0 3 507.520 4.640 1 0 KJAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817303 561964629 /nfs/dbraw/zinc/96/46/29/561964629.db2.gz DYJSRBZNIWQLJJ-LBFZIJHGSA-N 0 3 671.851 4.887 1 0 KJAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817307 561964597 /nfs/dbraw/zinc/96/45/97/561964597.db2.gz YBJGTORHNOALQH-BMPTZRATSA-N 0 3 701.877 4.896 1 0 KJAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(O)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817317 561964581 /nfs/dbraw/zinc/96/45/81/561964581.db2.gz QDADLDKSQPFWPK-LBFZIJHGSA-N 0 3 687.850 4.593 1 0 KJAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817329 561964602 /nfs/dbraw/zinc/96/46/02/561964602.db2.gz UDWWUBBLCSIJEP-LBFZIJHGSA-N 0 3 702.865 4.779 1 0 KJAFHN CC(C)N1CC[C@H](N(C)C(=O)N2CC[C@H](n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)C2)C1 ZINC000028818477 561965265 /nfs/dbraw/zinc/96/52/65/561965265.db2.gz RHEIAZQERJIKFS-PMACEKPBSA-N 0 3 500.068 4.560 1 0 KJAFHN CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(C2CCC2)C1 ZINC000028818482 561965212 /nfs/dbraw/zinc/96/52/12/561965212.db2.gz UOCKASIVRXARLO-SFTDATJTSA-N 0 3 512.079 4.704 1 0 KJAFHN CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(CC2CC2)C1 ZINC000028818496 561965241 /nfs/dbraw/zinc/96/52/41/561965241.db2.gz RFBOPCUCOYYXLV-SFTDATJTSA-N 0 3 512.079 4.561 1 0 KJAFHN Cc1ccc(N[C@H](O)c2ccc(CN3CC(N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028818959 561965487 /nfs/dbraw/zinc/96/54/87/561965487.db2.gz NJCKEVQJALLWBU-HHHXNRCGSA-N 0 3 564.616 4.853 1 0 KJAFHN Cc1ccc(N[C@@H](O)c2ccc(CN3CC(N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028818962 561965519 /nfs/dbraw/zinc/96/55/19/561965519.db2.gz NJCKEVQJALLWBU-MHZLTWQESA-N 0 3 564.616 4.853 1 0 KJAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)[C@H](c1cccc(Cl)c1)n1ccnc1 ZINC000028822346 561966893 /nfs/dbraw/zinc/96/68/93/561966893.db2.gz YJZFUGDWYGMZLN-LJAQVGFWSA-N 0 3 580.564 4.954 1 0 KJAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)[C@@H](c1cccc(Cl)c1)n1ccnc1 ZINC000028822347 561966912 /nfs/dbraw/zinc/96/69/12/561966912.db2.gz YJZFUGDWYGMZLN-GDLZYMKVSA-N 0 3 580.564 4.954 1 0 KJAFHN Cc1c(CN(C)C[C@H](O)c2ccc(CN(C)C)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822557 561967341 /nfs/dbraw/zinc/96/73/41/561967341.db2.gz WMOFUUNABPTEKS-VWLOTQADSA-N 0 3 567.155 4.719 1 0 KJAFHN Cc1c(CN(C)C[C@@H](O)c2ccc(CN(C)C)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822558 561967319 /nfs/dbraw/zinc/96/73/19/561967319.db2.gz WMOFUUNABPTEKS-RUZDIDTESA-N 0 3 567.155 4.719 1 0 KJAFHN COc1cc(-c2csc3c2c(N)ncc3C(=O)NCCN(C)C)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822575 561967337 /nfs/dbraw/zinc/96/73/37/561967337.db2.gz PKOSLEYNVYFBGX-UHFFFAOYSA-N 0 3 542.665 4.590 1 0 KJAFHN CC(C)C[C@H](NCCO)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823895 561968582 /nfs/dbraw/zinc/96/85/82/561968582.db2.gz HAYIRZKTTMIXAL-RRPNLBNLSA-N 0 3 593.571 4.684 1 0 KJAFHN CNCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823919 561968753 /nfs/dbraw/zinc/96/87/53/561968753.db2.gz AFKWCSONBYVREL-LMSSTIIKSA-N 0 3 616.634 4.607 1 0 KJAFHN CC(C)C[C@H](NC(=O)[C@@H](C)N)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823921 561968794 /nfs/dbraw/zinc/96/87/94/561968794.db2.gz MAHFSCYTEUPDKY-NBYOPXRUSA-N 0 3 620.597 4.565 1 0 KJAFHN Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)[C@@H](C)N)c1 ZINC000028823922 561968731 /nfs/dbraw/zinc/96/87/31/561968731.db2.gz CLCIJGHLOGXLMK-KBKXWFDOSA-N 0 3 616.634 4.735 1 0 KJAFHN CC(C)C[C@H](NC(=O)[C@H](C)N)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823923 561968723 /nfs/dbraw/zinc/96/87/23/561968723.db2.gz MAHFSCYTEUPDKY-IYKJZBSOSA-N 0 3 620.597 4.565 1 0 KJAFHN CC(C)C[C@H](NC(=O)C(C)(C)N)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823924 561968759 /nfs/dbraw/zinc/96/87/59/561968759.db2.gz CMVZNDZAGPCNJV-XTEPFMGCSA-N 0 3 634.624 4.956 1 0 KJAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824067 561968824 /nfs/dbraw/zinc/96/88/24/561968824.db2.gz BFGPQFULICETTF-GVAUOCQISA-N 0 3 601.135 4.729 1 0 KJAFHN NC(=O)[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000028824803 561970008 /nfs/dbraw/zinc/97/00/08/561970008.db2.gz YPZQCANHJZFSDX-NWFTYUCRSA-N 0 3 524.587 4.571 1 0 KJAFHN NC(=O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000028824804 561970011 /nfs/dbraw/zinc/97/00/11/561970011.db2.gz YPZQCANHJZFSDX-GFPUREGVSA-N 0 3 524.587 4.571 1 0 KJAFHN NCc1ncc([C@@]23C[C@@H]2[C@H](N(CCN2CCCC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825133 561970305 /nfs/dbraw/zinc/97/03/05/561970305.db2.gz KVOBDYCIQQYMER-BOCKYXSRSA-N 0 3 511.589 4.810 1 0 KJAFHN O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCN2CCCCC2)CCCCC1)c1cc2ccccc2s1 ZINC000028825197 561970498 /nfs/dbraw/zinc/97/04/98/561970498.db2.gz KGSZYTPYQPXIIC-AREMUKBSSA-N 0 3 560.764 4.664 1 0 KJAFHN O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN2CCCCC2)CCCCC1)c1cc2ccccc2s1 ZINC000028825198 561970494 /nfs/dbraw/zinc/97/04/94/561970494.db2.gz KGSZYTPYQPXIIC-SANMLTNESA-N 0 3 560.764 4.664 1 0 KJAFHN CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(F)cc2[C@H](N)CC(C)C)CC1 ZINC000028825740 561970883 /nfs/dbraw/zinc/97/08/83/561970883.db2.gz GTQBIIQAZZRQMF-DNQXCXABSA-N 0 3 523.480 4.574 1 0 KJAFHN CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(F)cccc2[C@@H](N)CC(C)C)CC1 ZINC000028825748 561970881 /nfs/dbraw/zinc/97/08/81/561970881.db2.gz UNZSGTNRPMCZPA-BJKOFHAPSA-N 0 3 523.480 4.574 1 0 KJAFHN CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(F)cccc2[C@H](N)CC(C)C)CC1 ZINC000028825749 561970903 /nfs/dbraw/zinc/97/09/03/561970903.db2.gz UNZSGTNRPMCZPA-DNQXCXABSA-N 0 3 523.480 4.574 1 0 KJAFHN CN(CCCc1ccccc1)C(=O)C1(c2ccccc2)CCN(CCN2c3ccccc3OCC2=O)CC1 ZINC000028826474 561971336 /nfs/dbraw/zinc/97/13/36/561971336.db2.gz MVYOUQRUXDXDKH-UHFFFAOYSA-N 0 3 511.666 4.537 1 0 KJAFHN CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 ZINC000028826475 561971359 /nfs/dbraw/zinc/97/13/59/561971359.db2.gz GJWSKEJCDDTARV-UHFFFAOYSA-N 0 3 576.738 4.669 1 0 KJAFHN CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(C(C)(C)C)cc1)C2 ZINC000028864114 561972458 /nfs/dbraw/zinc/97/24/58/561972458.db2.gz IEKFIZICLFDORP-UHFFFAOYSA-N 0 3 601.742 4.762 1 0 KJAFHN CCSc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864130 561972621 /nfs/dbraw/zinc/97/26/21/561972621.db2.gz RJBKPNBOIDAQBD-UHFFFAOYSA-N 0 3 605.755 4.576 1 0 KJAFHN CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000028864138 561972491 /nfs/dbraw/zinc/97/24/91/561972491.db2.gz AKKQMPVUZWTXBG-UHFFFAOYSA-N 0 3 614.524 4.771 1 0 KJAFHN Cc1c2ccccc2sc1CN1CCc2c(c(=O)n(CCN(C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864146 561972449 /nfs/dbraw/zinc/97/24/49/561972449.db2.gz GBQXEIGMFIPHBT-UHFFFAOYSA-N 0 3 615.750 4.987 1 0 KJAFHN Cc1c2ccccc2sc1CN1CCc2c(c(=O)n(CCN(C)CCc3ccccn3)c(=O)n2Cc2ccccc2)C1 ZINC000028864160 561972911 /nfs/dbraw/zinc/97/29/11/561972911.db2.gz CKXBNWWRXBYJLE-UHFFFAOYSA-N 0 3 579.770 4.709 1 0 KJAFHN Cc1c2ccccc2sc1CN1CCc2c(c(=O)n(CCN(C)CCc3ccccn3)c(=O)n2Cc2ccccc2F)C1 ZINC000028864161 561972785 /nfs/dbraw/zinc/97/27/85/561972785.db2.gz XPLFJWZQERBCOJ-UHFFFAOYSA-N 0 3 597.760 4.848 1 0 KJAFHN Cc1ccc(CN2CCc3c(c(=O)n(C[C@@H]4CCCCN4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864200 561972763 /nfs/dbraw/zinc/97/27/63/561972763.db2.gz NFSVFVSAVLFOGI-NDEPHWFRSA-N 0 3 599.726 4.961 1 0 KJAFHN Cc1ccc(CN2CCc3c(c(=O)n(C[C@H]4CCCCN4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864202 561972848 /nfs/dbraw/zinc/97/28/48/561972848.db2.gz NFSVFVSAVLFOGI-MUUNZHRXSA-N 0 3 599.726 4.961 1 0 KJAFHN Cc1ccc(CN2CCc3c(c(=O)n(C[C@@H]4CCCN(Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864238 561973075 /nfs/dbraw/zinc/97/30/75/561973075.db2.gz RTDFPRBOVNIPCI-AREMUKBSSA-N 0 3 599.726 4.819 1 0 KJAFHN Cc1ccc(CN2CCc3c(c(=O)n(C[C@H]4CCCN(Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864240 561973149 /nfs/dbraw/zinc/97/31/49/561973149.db2.gz RTDFPRBOVNIPCI-SANMLTNESA-N 0 3 599.726 4.819 1 0 KJAFHN CN[C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2)c1ccccc1 ZINC000028864261 561973010 /nfs/dbraw/zinc/97/30/10/561973010.db2.gz JLFBHKWEJXWJSJ-MHZLTWQESA-N 0 3 551.037 4.509 1 0 KJAFHN O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCN1Cc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864264 561973156 /nfs/dbraw/zinc/97/31/56/561973156.db2.gz ZYFQUKXLKFLJCB-RUZDIDTESA-N 0 3 592.090 4.608 1 0 KJAFHN O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCN1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864269 561973060 /nfs/dbraw/zinc/97/30/60/561973060.db2.gz RJMQDUQSQDWCOB-AREMUKBSSA-N 0 3 606.117 4.650 1 0 KJAFHN CN(C)[C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2)c1ccccc1 ZINC000028864271 561973160 /nfs/dbraw/zinc/97/31/60/561973160.db2.gz WILRMDUJGFWPPI-LJAQVGFWSA-N 0 3 565.064 4.851 1 0 KJAFHN COc1ccccc1N1CCN(CCc2cccc(OC(=O)COCC(=O)Oc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873160 561974760 /nfs/dbraw/zinc/97/47/60/561974760.db2.gz QVSWWKKOPZQRRU-UHFFFAOYSA-N 0 3 722.883 4.961 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CCOC(C)=O)c3=O)CC2)C(C)C)c1 ZINC000028874749 561975276 /nfs/dbraw/zinc/97/52/76/561975276.db2.gz LSLIXRZGWKCGHE-NDEPHWFRSA-N 0 3 523.674 4.814 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CCOC(C)=O)c3=O)CC2)C(C)C)c1 ZINC000028874754 561975343 /nfs/dbraw/zinc/97/53/43/561975343.db2.gz LSLIXRZGWKCGHE-MUUNZHRXSA-N 0 3 523.674 4.814 1 0 KJAFHN COC(=O)CCn1c2ccccc2n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874780 561975251 /nfs/dbraw/zinc/97/52/51/561975251.db2.gz JFJLRJIRAMFOPA-HHHXNRCGSA-N 0 3 523.674 4.814 1 0 KJAFHN COC(=O)CCn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874785 561975317 /nfs/dbraw/zinc/97/53/17/561975317.db2.gz JFJLRJIRAMFOPA-MHZLTWQESA-N 0 3 523.674 4.814 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CCN(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874800 561975263 /nfs/dbraw/zinc/97/52/63/561975263.db2.gz FHYHHLGBGCSPJW-NDEPHWFRSA-N 0 3 508.707 4.812 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CCN(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874804 561975301 /nfs/dbraw/zinc/97/53/01/561975301.db2.gz FHYHHLGBGCSPJW-MUUNZHRXSA-N 0 3 508.707 4.812 1 0 KJAFHN CCCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874906 561975313 /nfs/dbraw/zinc/97/53/13/561975313.db2.gz UMNWAEGGFCQDQV-MUUNZHRXSA-N 0 3 536.717 4.777 1 0 KJAFHN CCCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874909 561975461 /nfs/dbraw/zinc/97/54/61/561975461.db2.gz UMNWAEGGFCQDQV-NDEPHWFRSA-N 0 3 536.717 4.777 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CC(=O)NC(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874923 561975453 /nfs/dbraw/zinc/97/54/53/561975453.db2.gz BHXTYLLOXRKFJS-NDEPHWFRSA-N 0 3 536.717 4.775 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CC(=O)NC(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874926 561975477 /nfs/dbraw/zinc/97/54/77/561975477.db2.gz BHXTYLLOXRKFJS-MUUNZHRXSA-N 0 3 536.717 4.775 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CC(=O)NCC4CC4)c3=O)CC2)C(C)C)c1 ZINC000028874983 561975464 /nfs/dbraw/zinc/97/54/64/561975464.db2.gz BPTZNIFBGCSEMZ-LJAQVGFWSA-N 0 3 548.728 4.777 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CC(=O)NCC4CC4)c3=O)CC2)C(C)C)c1 ZINC000028874987 561975445 /nfs/dbraw/zinc/97/54/45/561975445.db2.gz BPTZNIFBGCSEMZ-GDLZYMKVSA-N 0 3 548.728 4.777 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CC(=O)NC4CC4)c3=O)CC2)C(C)C)c1 ZINC000028874996 561975474 /nfs/dbraw/zinc/97/54/74/561975474.db2.gz HIUQBKUHVJBHKF-NDEPHWFRSA-N 0 3 534.701 4.529 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CC(=O)NC4CC4)c3=O)CC2)C(C)C)c1 ZINC000028875001 561975479 /nfs/dbraw/zinc/97/54/79/561975479.db2.gz HIUQBKUHVJBHKF-MUUNZHRXSA-N 0 3 534.701 4.529 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CC(=O)NC4CCC4)c3=O)CC2)C(C)C)c1 ZINC000028875016 561975458 /nfs/dbraw/zinc/97/54/58/561975458.db2.gz IZLXVYJVHKKNIP-LJAQVGFWSA-N 0 3 548.728 4.919 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CC(=O)NC4CCC4)c3=O)CC2)C(C)C)c1 ZINC000028875022 561975471 /nfs/dbraw/zinc/97/54/71/561975471.db2.gz IZLXVYJVHKKNIP-GDLZYMKVSA-N 0 3 548.728 4.919 1 0 KJAFHN COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccc(C(=O)NCCN(C)C)c3)oc21 ZINC000028878039 561976076 /nfs/dbraw/zinc/97/60/76/561976076.db2.gz MGJOAQODMQCCGV-UHFFFAOYSA-N 0 3 543.664 4.975 1 0 KJAFHN O=C(OC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028880259 561976677 /nfs/dbraw/zinc/97/66/77/561976677.db2.gz LUILOZMCUXFBLL-XMMPIXPASA-N 0 3 532.106 4.937 1 0 KJAFHN O=C(OC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000028880265 561976717 /nfs/dbraw/zinc/97/67/17/561976717.db2.gz LUILOZMCUXFBLL-DEOSSOPVSA-N 0 3 532.106 4.937 1 0 KJAFHN OCC1(N2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)CCCC1 ZINC000028880873 561976907 /nfs/dbraw/zinc/97/69/07/561976907.db2.gz GPSVSZZDAKVKII-RUZDIDTESA-N 0 3 509.050 4.879 1 0 KJAFHN OCC1(N2CCN([C@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)CCCC1 ZINC000028880881 561976915 /nfs/dbraw/zinc/97/69/15/561976915.db2.gz GPSVSZZDAKVKII-VWLOTQADSA-N 0 3 509.050 4.879 1 0 KJAFHN O=C(c1cc2c3ccccc3n(C[C@@H]3CCNC[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCN(CCO)CC1 ZINC000028889695 561978128 /nfs/dbraw/zinc/97/81/28/561978128.db2.gz YOHSETSRMZWQJH-IDISGSTGSA-N 0 3 565.089 4.938 1 0 KJAFHN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2)CC1 ZINC000028895495 561978956 /nfs/dbraw/zinc/97/89/56/561978956.db2.gz UAEXYYDYQUVRCK-NDEPHWFRSA-N 0 3 540.129 4.812 1 0 KJAFHN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2F)CC1 ZINC000028895501 561979014 /nfs/dbraw/zinc/97/90/14/561979014.db2.gz JGWNDWXZPDXGBE-NDEPHWFRSA-N 0 3 558.119 4.951 1 0 KJAFHN COc1cccc(CCN2CCC(N(C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc4c(Cl)cccc4c3)CC2)c1 ZINC000028895534 561979031 /nfs/dbraw/zinc/97/90/31/561979031.db2.gz MLLRKHUYNKZGBH-LJAQVGFWSA-N 0 3 570.155 4.820 1 0 KJAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952445 561982059 /nfs/dbraw/zinc/98/20/59/561982059.db2.gz RATLHLFNSBYGID-NDEPHWFRSA-N 0 3 611.709 4.853 1 0 KJAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952454 561982072 /nfs/dbraw/zinc/98/20/72/561982072.db2.gz AOCRHIVQXBBGQL-MHZLTWQESA-N 0 3 631.740 4.760 1 0 KJAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952460 561982092 /nfs/dbraw/zinc/98/20/92/561982092.db2.gz WNDBBJRVNVBRDI-NDEPHWFRSA-N 0 3 611.709 4.853 1 0 KJAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NC(=O)C3CCCCC3)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952466 561982049 /nfs/dbraw/zinc/98/20/49/561982049.db2.gz NKFJKOYGHRIWTR-MHZLTWQESA-N 0 3 631.740 4.760 1 0 KJAFHN CS(=O)(=O)[N-]c1cc(C[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O ZINC000028958084 561983512 /nfs/dbraw/zinc/98/35/12/561983512.db2.gz DUXRICMJEWSVFK-SIKLNZKXSA-N 0 3 509.455 4.548 1 0 KJAFHN CS(=O)(=O)[N-]c1cc(C[C@@H](O)C[NH2+][C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O ZINC000028958141 561983697 /nfs/dbraw/zinc/98/36/97/561983697.db2.gz GRSIQKKNSPHJED-RTWAWAEBSA-N 0 3 586.604 4.834 1 0 KJAFHN CC(=O)N1CCN(C[C@@H](O)CN2CCN(CCc3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)sc4[nH]c3-c3cc(C)cc(C)c3)CC2)CC1 ZINC000028961527 561984333 /nfs/dbraw/zinc/98/43/33/561984333.db2.gz WDDRUCUWAOFJED-PDZHLSQESA-N 0 3 688.983 4.629 1 0 KJAFHN CC(=O)N1CCN(C[C@H](O)CN2CCN(CCc3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)sc4[nH]c3-c3cc(C)cc(C)c3)CC2)CC1 ZINC000028961531 561984340 /nfs/dbraw/zinc/98/43/40/561984340.db2.gz WDDRUCUWAOFJED-DQZOQLMQSA-N 0 3 688.983 4.629 1 0 KJAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(S(=O)(=O)Cc2ccccc2)n1 ZINC000028963762 561984654 /nfs/dbraw/zinc/98/46/54/561984654.db2.gz BMNUXGMYIPSXEX-UHFFFAOYSA-N 0 3 501.587 4.633 1 0 KJAFHN CN(C)Cc1cccnc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964267 561984687 /nfs/dbraw/zinc/98/46/87/561984687.db2.gz WRLHLEHCJIXIGH-UHFFFAOYSA-N 0 3 539.546 4.917 1 0 KJAFHN CN(C)Cc1ccncc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964273 561984674 /nfs/dbraw/zinc/98/46/74/561984674.db2.gz OKSQVVQLESNMEU-UHFFFAOYSA-N 0 3 539.546 4.917 1 0 KJAFHN CN(C)Cc1cnccc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964278 561984786 /nfs/dbraw/zinc/98/47/86/561984786.db2.gz MAQKQDYMLDYTKU-UHFFFAOYSA-N 0 3 539.546 4.917 1 0 KJAFHN CN(C)CCN(c1cccnc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964301 561984811 /nfs/dbraw/zinc/98/48/11/561984811.db2.gz LUFIRQURXPBAOK-UHFFFAOYSA-N 0 3 568.588 4.888 1 0 KJAFHN CN(C)CCN(c1ccncc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964308 561984773 /nfs/dbraw/zinc/98/47/73/561984773.db2.gz MNJNTWVQZAJTOG-UHFFFAOYSA-N 0 3 568.588 4.888 1 0 KJAFHN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc32)cc1 ZINC000028973031 561986105 /nfs/dbraw/zinc/98/61/05/561986105.db2.gz CEJWZMUHUBUOBC-MUUNZHRXSA-N 0 3 522.653 4.544 1 0 KJAFHN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc32)c(OC)c1 ZINC000028973037 561986094 /nfs/dbraw/zinc/98/60/94/561986094.db2.gz JITIKAAYUHJSMC-GDLZYMKVSA-N 0 3 552.679 4.553 1 0 KJAFHN COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 ZINC000028977938 561987551 /nfs/dbraw/zinc/98/75/51/561987551.db2.gz PWQYLDSMPYWAPW-MHZLTWQESA-N 0 3 552.679 4.553 1 0 KJAFHN COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028977956 561987594 /nfs/dbraw/zinc/98/75/94/561987594.db2.gz DCAIAEDSMBLLML-MHZLTWQESA-N 0 3 522.653 4.544 1 0 KJAFHN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 ZINC000028977982 561987543 /nfs/dbraw/zinc/98/75/43/561987543.db2.gz SMZXTOBUWJQADE-NDEPHWFRSA-N 0 3 566.706 4.747 1 0 KJAFHN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000028977989 561987605 /nfs/dbraw/zinc/98/76/05/561987605.db2.gz WNCKTUWHWHEBJE-NDEPHWFRSA-N 0 3 536.680 4.739 1 0 KJAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2ccccc2)NC(=O)C(C)(C)N)cc1 ZINC000028978006 561987556 /nfs/dbraw/zinc/98/75/56/561987556.db2.gz LJTZGMFMAQPASO-MUUNZHRXSA-N 0 3 536.680 4.739 1 0 KJAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](CC(=O)OCc2ccccc2)NC(=O)C(C)(C)N)cc1 ZINC000028978022 561987584 /nfs/dbraw/zinc/98/75/84/561987584.db2.gz BLXGFOLBGKJINZ-GDLZYMKVSA-N 0 3 594.716 4.630 1 0 KJAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)cc1 ZINC000028978206 561987659 /nfs/dbraw/zinc/98/76/59/561987659.db2.gz GGHYZCHEJDJXCA-GDLZYMKVSA-N 0 3 566.706 4.713 1 0 KJAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000028978585 561987795 /nfs/dbraw/zinc/98/77/95/561987795.db2.gz QNEVJIWNSZTEGF-WUFINQPMSA-N 0 3 584.639 4.636 1 0 KJAFHN Nc1ncnc2c1cnn2C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1 ZINC000029037305 561988479 /nfs/dbraw/zinc/98/84/79/561988479.db2.gz CCUQHOVPLNKBBL-UHFFFAOYSA-N 0 3 528.624 4.500 1 0 KJAFHN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2ccc3cc[nH]c3c2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000029037413 561988577 /nfs/dbraw/zinc/98/85/77/561988577.db2.gz SMQRADVWSPEEOF-XOUBVTBXSA-N 0 3 667.832 4.547 1 0 KJAFHN CCCCN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038669 561989109 /nfs/dbraw/zinc/98/91/09/561989109.db2.gz HKHRBWOCFLSICR-ZILOHOTNSA-N 0 3 536.518 4.805 1 0 KJAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039310 561989766 /nfs/dbraw/zinc/98/97/66/561989766.db2.gz LWZPGHNZXUTEJD-SGNDLWITSA-N 0 3 572.093 4.882 1 0 KJAFHN CN[C@H](C)C(=O)N[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039316 561989748 /nfs/dbraw/zinc/98/97/48/561989748.db2.gz SWDFCOLIBDGJFH-UBQPIHBDSA-N 0 3 657.199 4.647 1 0 KJAFHN CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000029039581 561990150 /nfs/dbraw/zinc/99/01/50/561990150.db2.gz RNICSWUEDSWABW-WUFINQPMSA-N 0 3 569.624 4.723 1 0 KJAFHN CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039596 561990099 /nfs/dbraw/zinc/99/00/99/561990099.db2.gz OYLCLJYJJSLIFC-URLMMPGGSA-N 0 3 619.706 4.526 1 0 KJAFHN CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039600 561990140 /nfs/dbraw/zinc/99/01/40/561990140.db2.gz BQOZRTKLLZQOLL-XZWHSSHBSA-N 0 3 632.749 4.948 1 0 KJAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@]2(Cc3ccc(Cl)cc3)COC(=O)N2)CC1 ZINC000029040965 561990884 /nfs/dbraw/zinc/99/08/84/561990884.db2.gz HEEIADDLRDTXCR-BKMJKUGQSA-N 0 3 553.025 4.775 1 0 KJAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@]2(Cc3ccc(Cl)cc3)COC(=O)N2)CC1 ZINC000029040967 561990913 /nfs/dbraw/zinc/99/09/13/561990913.db2.gz HEEIADDLRDTXCR-NVQXNPDNSA-N 0 3 553.025 4.775 1 0 KJAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2NC(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029040969 561990888 /nfs/dbraw/zinc/99/08/88/561990888.db2.gz WQBDGDLBEOMMMM-JLRUASKGSA-N 0 3 537.026 4.726 1 0 KJAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2NC(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029040971 561990848 /nfs/dbraw/zinc/99/08/48/561990848.db2.gz WQBDGDLBEOMMMM-KJWPAHLWSA-N 0 3 537.026 4.726 1 0 KJAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2NC(=O)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029040973 561990853 /nfs/dbraw/zinc/99/08/53/561990853.db2.gz WQBDGDLBEOMMMM-UWDQQESISA-N 0 3 537.026 4.726 1 0 KJAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2NC(=O)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029040975 561990905 /nfs/dbraw/zinc/99/09/05/561990905.db2.gz WQBDGDLBEOMMMM-XTJBDQBJSA-N 0 3 537.026 4.726 1 0 KJAFHN Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCCC4)c3)nc(-c3ccc(C)o3)n2)n1 ZINC000029041684 561991136 /nfs/dbraw/zinc/99/11/36/561991136.db2.gz ZLNPFHQZLBUZIW-UHFFFAOYSA-N 0 3 504.566 4.600 1 0 KJAFHN CC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(N4C[C@@H](C)[NH2+][C@H](C)C4)cc2)C(=O)[N-]C3=O)c1 ZINC000029050495 561994222 /nfs/dbraw/zinc/99/42/22/561994222.db2.gz FQZAQRGXPIOMIW-UOKNAKDASA-N 0 3 509.610 4.542 1 0 KJAFHN CC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(N4C[C@@H](C)[NH2+][C@@H](C)C4)cc2)C(=O)[N-]C3=O)c1 ZINC000029050499 561994203 /nfs/dbraw/zinc/99/42/03/561994203.db2.gz FQZAQRGXPIOMIW-RDMNVTKASA-N 0 3 509.610 4.542 1 0 KJAFHN CC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(N4C[C@H](C)[NH2+][C@@H](C)C4)cc2)C(=O)[N-]C3=O)c1 ZINC000029050506 561994231 /nfs/dbraw/zinc/99/42/31/561994231.db2.gz FQZAQRGXPIOMIW-RAKWENFTSA-N 0 3 509.610 4.542 1 0 KJAFHN Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CNC[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccccc1C ZINC000029054962 561994814 /nfs/dbraw/zinc/99/48/14/561994814.db2.gz XTXRSOFPCAQCOY-KYJUHHDHSA-N 0 3 589.783 4.726 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4ncon4)c3=O)CC2)C(C)C)c1 ZINC000029062559 561996056 /nfs/dbraw/zinc/99/60/56/561996056.db2.gz NFZLTQKGRIIVDV-SANMLTNESA-N 0 3 519.646 4.682 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4ncon4)c3=O)CC2)C(C)C)c1 ZINC000029062565 561996075 /nfs/dbraw/zinc/99/60/75/561996075.db2.gz NFZLTQKGRIIVDV-AREMUKBSSA-N 0 3 519.646 4.682 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4noc(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062935 561996122 /nfs/dbraw/zinc/99/61/22/561996122.db2.gz HQAKSYIZXFEUKC-MHZLTWQESA-N 0 3 533.673 4.990 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4noc(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062941 561996173 /nfs/dbraw/zinc/99/61/73/561996173.db2.gz HQAKSYIZXFEUKC-HHHXNRCGSA-N 0 3 533.673 4.990 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4nc(C)no4)c3=O)CC2)C(C)C)c1 ZINC000029063107 561996142 /nfs/dbraw/zinc/99/61/42/561996142.db2.gz SPFGSPXBZOGHKQ-MHZLTWQESA-N 0 3 533.673 4.990 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4nc(C)no4)c3=O)CC2)C(C)C)c1 ZINC000029063113 561996183 /nfs/dbraw/zinc/99/61/83/561996183.db2.gz SPFGSPXBZOGHKQ-HHHXNRCGSA-N 0 3 533.673 4.990 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4nnc(C)[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029063249 561996214 /nfs/dbraw/zinc/99/62/14/561996214.db2.gz JZFQYKMYELWMMU-MHZLTWQESA-N 0 3 532.689 4.725 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4nnc(C)[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029063253 561996133 /nfs/dbraw/zinc/99/61/33/561996133.db2.gz JZFQYKMYELWMMU-HHHXNRCGSA-N 0 3 532.689 4.725 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cn4cccn4)c3=O)CC2)C(C)C)c1 ZINC000029063594 561996303 /nfs/dbraw/zinc/99/63/03/561996303.db2.gz KUIPORRXSZLLLT-NDEPHWFRSA-N 0 3 517.674 4.953 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cn4cccn4)c3=O)CC2)C(C)C)c1 ZINC000029063600 561996313 /nfs/dbraw/zinc/99/63/13/561996313.db2.gz KUIPORRXSZLLLT-MUUNZHRXSA-N 0 3 517.674 4.953 1 0 KJAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cn4ccnc4)c3=O)CC2)C(C)C)c1 ZINC000029063736 561996288 /nfs/dbraw/zinc/99/62/88/561996288.db2.gz KSSZZTROORAABZ-NDEPHWFRSA-N 0 3 517.674 4.953 1 0 KJAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cn4ccnc4)c3=O)CC2)C(C)C)c1 ZINC000029063743 561996299 /nfs/dbraw/zinc/99/62/99/561996299.db2.gz KSSZZTROORAABZ-MUUNZHRXSA-N 0 3 517.674 4.953 1 0 KJAFHN O=C(CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000029123273 561996720 /nfs/dbraw/zinc/99/67/20/561996720.db2.gz ZREZVOCBOGREHP-UHFFFAOYSA-N 0 3 549.597 4.623 1 0 KJAFHN O=C(CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029123304 561996676 /nfs/dbraw/zinc/99/66/76/561996676.db2.gz YBKCQCAJYCNQFK-UHFFFAOYSA-N 0 3 567.587 4.762 1 0 KJAFHN O=C(CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123661 561996822 /nfs/dbraw/zinc/99/68/22/561996822.db2.gz AIOWACZADLHDLR-UHFFFAOYSA-N 0 3 567.587 4.762 1 0 KJAFHN C[C@@H]1C[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br ZINC000029125367 561997447 /nfs/dbraw/zinc/99/74/47/561997447.db2.gz LDNKOUXESVTRDA-XLIONFOSSA-N 0 3 527.912 4.628 1 0 KJAFHN C[C@H]1C[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br ZINC000029125368 561997429 /nfs/dbraw/zinc/99/74/29/561997429.db2.gz LDNKOUXESVTRDA-PXNSSMCTSA-N 0 3 527.912 4.628 1 0 KJAFHN C[C@@H]1C[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br ZINC000029125369 561997444 /nfs/dbraw/zinc/99/74/44/561997444.db2.gz LDNKOUXESVTRDA-YLJYHZDGSA-N 0 3 527.912 4.628 1 0 KJAFHN C[C@H]1C[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br ZINC000029125370 561997466 /nfs/dbraw/zinc/99/74/66/561997466.db2.gz LDNKOUXESVTRDA-FXAWDEMLSA-N 0 3 527.912 4.628 1 0 KJAFHN O=S(=O)(c1c(F)cc(F)cc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000029125461 561997608 /nfs/dbraw/zinc/99/76/08/561997608.db2.gz WXRNCZLBVFFDCH-UHFFFAOYSA-N 0 3 549.865 4.517 1 0 KJAFHN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000029125594 561997841 /nfs/dbraw/zinc/99/78/41/561997841.db2.gz WKKMVWJTRHJVKO-UHFFFAOYSA-N 0 3 503.879 4.784 1 0 KJAFHN O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000029125779 561997957 /nfs/dbraw/zinc/99/79/57/561997957.db2.gz VEGPMNCZPFPBCO-UHFFFAOYSA-N 0 3 503.879 4.784 1 0 KJAFHN Nc1ncnc2c1ncn2C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1 ZINC000029126780 561998930 /nfs/dbraw/zinc/99/89/30/561998930.db2.gz WFWTUJWPLXFJBT-UHFFFAOYSA-N 0 3 528.624 4.500 1 0 KJAFHN O=C1[N-]C(=O)c2c1c1c3cc(O)c(OCCC[NH+]4CCCC4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000029127030 561999421 /nfs/dbraw/zinc/99/94/21/561999421.db2.gz WIXXUCKYLZMMCZ-UHFFFAOYSA-N 0 3 534.012 4.561 1 0 KJAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5c(cc4CC3)OCCN5)n2C)n1 ZINC000029127047 561999354 /nfs/dbraw/zinc/99/93/54/561999354.db2.gz AJBBNBBBDUCRTB-UHFFFAOYSA-N 0 3 500.672 4.726 1 0 KJAFHN CC(=O)N1CCOc2cc3c(cc21)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127088 561999419 /nfs/dbraw/zinc/99/94/19/561999419.db2.gz MDWSQWMMLXSJIP-UHFFFAOYSA-N 0 3 542.709 4.667 1 0 KJAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5c(cc4CC3)C(=O)N(C)C5)n2C)n1 ZINC000029127467 561999754 /nfs/dbraw/zinc/99/97/54/561999754.db2.gz ITTGLZWHTWLHSG-UHFFFAOYSA-N 0 3 512.683 4.507 1 0 KJAFHN COc1nc(NCCCN2CCN(C)CC2)ncc1C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2C)ccc1C ZINC000029127865 562000365 /nfs/dbraw/zinc/00/03/65/562000365.db2.gz IZGPDIJRXUJVSZ-UHFFFAOYSA-N 0 3 599.658 4.675 1 0 KJAFHN COc1nc(NC2CCN(C)CC2)ncc1C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C ZINC000029127914 562000338 /nfs/dbraw/zinc/00/03/38/562000338.db2.gz COOKXSKUMOQNOB-UHFFFAOYSA-N 0 3 542.562 4.823 1 0 KJAFHN O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CN2CCCCC2)C1 ZINC000029128211 562000732 /nfs/dbraw/zinc/00/07/32/562000732.db2.gz MXCCVPFKPUFGLO-NDEPHWFRSA-N 0 3 506.647 4.518 1 0 KJAFHN CCCCCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000029128349 562000879 /nfs/dbraw/zinc/00/08/79/562000879.db2.gz FWXBKZGTGOEOEX-FWGANANOSA-N 0 3 606.808 4.511 1 0 KJAFHN CCN(CCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)C1CCN(c2ccncc2)CC1 ZINC000029132425 562003440 /nfs/dbraw/zinc/00/34/40/562003440.db2.gz JUJRQCLTINFJII-UHFFFAOYSA-N 0 3 500.064 4.817 1 0 KJAFHN Cc1cc(C)cc(N(CCO)Cc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029133952 562003801 /nfs/dbraw/zinc/00/38/01/562003801.db2.gz DFRQRIIOETWHFT-UHFFFAOYSA-N 0 3 528.701 4.615 1 0 KJAFHN Cc1cc(C)cc(NCc2ccc3nc(NC4CCN(CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134258 562003969 /nfs/dbraw/zinc/00/39/69/562003969.db2.gz CMHZXSUJKLSWAB-UHFFFAOYSA-N 0 3 514.674 4.591 1 0 KJAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(NC2CCN(C)CC2)nc1 ZINC000029135473 562004530 /nfs/dbraw/zinc/00/45/30/562004530.db2.gz RCPGEVOBRRSEJB-UHFFFAOYSA-N 0 3 512.536 4.815 1 0 KJAFHN O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000029135696 562004472 /nfs/dbraw/zinc/00/44/72/562004472.db2.gz FYEUXDMHYSOTOL-PMACEKPBSA-N 0 3 502.364 4.959 1 0 KJAFHN O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000029151471 562004690 /nfs/dbraw/zinc/00/46/90/562004690.db2.gz PYNYAHGVIOWLKL-UXHICEINSA-N 0 3 501.471 4.671 1 0 KJAFHN O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000029151485 562004685 /nfs/dbraw/zinc/00/46/85/562004685.db2.gz OZTUJYXOIWFMIB-UXHICEINSA-N 0 3 517.470 4.551 1 0 KJAFHN CN1CCN(c2cccc3ccc(OCCOc4ccc5cccc(N6CCN(C)CC6)c5c4)cc32)CC1 ZINC000029212591 562005974 /nfs/dbraw/zinc/00/59/74/562005974.db2.gz DXVCDEJYEPFURE-UHFFFAOYSA-N 0 3 510.682 4.954 1 0 KJAFHN COc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CCN(C)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000029244867 562010595 /nfs/dbraw/zinc/01/05/95/562010595.db2.gz HEDDMTFVFDFSSE-XLMYLCDGSA-N 0 3 506.716 4.501 1 0 KJAFHN COc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CCN(C)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000029244874 562010601 /nfs/dbraw/zinc/01/06/01/562010601.db2.gz HEDDMTFVFDFSSE-RTSKKLKRSA-N 0 3 506.716 4.501 1 0 KJAFHN COc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CCN(C)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000029244882 562010588 /nfs/dbraw/zinc/01/05/88/562010588.db2.gz HEDDMTFVFDFSSE-LKMXBKBRSA-N 0 3 506.716 4.501 1 0 KJAFHN COc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CCN(C)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000029244890 562010607 /nfs/dbraw/zinc/01/06/07/562010607.db2.gz HEDDMTFVFDFSSE-UVYJVUIESA-N 0 3 506.716 4.501 1 0 KJAFHN CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)C[C@@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029392081 562017532 /nfs/dbraw/zinc/01/75/32/562017532.db2.gz XSSRRJFIYUJCHQ-SLJAQBMJSA-N 0 3 652.925 4.919 1 0 KJAFHN CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029392084 562017552 /nfs/dbraw/zinc/01/75/52/562017552.db2.gz XSSRRJFIYUJCHQ-QBPYOWCYSA-N 0 3 652.925 4.919 1 0 KJAFHN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000029392408 562017712 /nfs/dbraw/zinc/01/77/12/562017712.db2.gz KKYBAUMVFSBYOJ-OIYSRFRJSA-N 0 3 647.905 4.634 1 0 KJAFHN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000029392411 562017646 /nfs/dbraw/zinc/01/76/46/562017646.db2.gz KKYBAUMVFSBYOJ-BTZNDZMISA-N 0 3 647.905 4.634 1 0 KJAFHN CN1CCN(CCCNC(=O)CN2C(=O)[C@@H](CC(=O)NCc3cccc4ccccc43)S[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029397347 562019038 /nfs/dbraw/zinc/01/90/38/562019038.db2.gz VWEAEMNGRKAWKR-AKGWNBJDSA-N 0 3 642.653 4.549 1 0 KJAFHN C[C@@H](N)C(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029400120 562019500 /nfs/dbraw/zinc/01/95/00/562019500.db2.gz KJYCMMKAZIJTFD-GOSISDBHSA-N 0 3 523.468 4.592 1 0 KJAFHN C[C@H](N)C(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029400123 562019602 /nfs/dbraw/zinc/01/96/02/562019602.db2.gz KJYCMMKAZIJTFD-SFHVURJKSA-N 0 3 523.468 4.592 1 0 KJAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029412920 562022163 /nfs/dbraw/zinc/02/21/63/562022163.db2.gz KDBIGCDEYFYFCH-AIIVFDHXSA-N 0 3 657.852 4.981 1 0 KJAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCCC2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000029412923 562022168 /nfs/dbraw/zinc/02/21/68/562022168.db2.gz KDBIGCDEYFYFCH-AACMMHMGSA-N 0 3 657.852 4.981 1 0 KJAFHN CN(C)Cc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000029413262 562022300 /nfs/dbraw/zinc/02/23/00/562022300.db2.gz JCWRLVADYJYYNM-IROHOENBSA-N 0 3 601.788 4.568 1 0 KJAFHN CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000029416843 562023022 /nfs/dbraw/zinc/02/30/22/562023022.db2.gz COLAZQFSVYJTKL-UHFFFAOYSA-N 0 3 611.187 4.624 1 0 KJAFHN COc1ccccc1OCCN1CCN(c2cnn(CCCCCCCN3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000029464998 562024079 /nfs/dbraw/zinc/02/40/79/562024079.db2.gz YLPUPQIOFJNHAW-UHFFFAOYSA-N 0 3 653.268 4.888 1 0 KJAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1)N(C)CC1CCCCC1 ZINC000029475069 562026345 /nfs/dbraw/zinc/02/63/45/562026345.db2.gz GITKXXBJJFLYLD-LQJZCPKCSA-N 0 3 576.826 4.994 1 0 KJAFHN O=C1N(CO)CN(c2ccccc2)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029481697 562027466 /nfs/dbraw/zinc/02/74/66/562027466.db2.gz XXHCGFRROWFGCZ-UHFFFAOYSA-N 0 3 506.597 4.584 1 0 KJAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1)N(C)C1CCCCC1 ZINC000029482088 562027492 /nfs/dbraw/zinc/02/74/92/562027492.db2.gz VPHKTUHKHFICOY-ACHIHNKUSA-N 0 3 562.799 4.746 1 0 KJAFHN Nc1ccccc1Cn1c2ccccc2c2c1[C@@H]1Oc3c4c(ccc3O)C[C@H]3N(CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029547039 562030064 /nfs/dbraw/zinc/03/00/64/562030064.db2.gz SJRPKEPKTVLNLK-OUDZLNJNSA-N 0 3 519.645 4.677 1 0 KJAFHN Nc1cccc(Cn2c3ccccc3c3c2[C@@H]2Oc4c5c(ccc4O)C[C@H]4N(CC6CC6)CC[C@]52[C@@]4(O)C3)c1 ZINC000029555979 562032022 /nfs/dbraw/zinc/03/20/22/562032022.db2.gz RYWCADWDVBHHSP-OUDZLNJNSA-N 0 3 519.645 4.677 1 0 KJAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@@]2(OC)Sc3ccccc3N(C)C2=O)c1 ZINC000029558866 562032621 /nfs/dbraw/zinc/03/26/21/562032621.db2.gz TUGQQAZVYRVPRM-SSEXGKCCSA-N 0 3 566.676 4.772 1 0 KJAFHN COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@]2(OC)Sc3ccccc3N(C)C2=O)c1 ZINC000029558869 562032624 /nfs/dbraw/zinc/03/26/24/562032624.db2.gz TUGQQAZVYRVPRM-PMERELPUSA-N 0 3 566.676 4.772 1 0 KJAFHN COc1cccc(OC)c1OC[C@@H](O)CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029560345 562032899 /nfs/dbraw/zinc/03/28/99/562032899.db2.gz JNQYAFXUEILMBU-DEOSSOPVSA-N 0 3 534.632 4.557 1 0 KJAFHN COc1cccc(OC)c1OC[C@H](O)CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029560348 562032946 /nfs/dbraw/zinc/03/29/46/562032946.db2.gz JNQYAFXUEILMBU-XMMPIXPASA-N 0 3 534.632 4.557 1 0 KJAFHN COc1ccc(OC[C@@H](O)CN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029568739 562035076 /nfs/dbraw/zinc/03/50/76/562035076.db2.gz BTSOOGIEGYSXLP-DEOSSOPVSA-N 0 3 504.606 4.549 1 0 KJAFHN COc1ccc(OC[C@H](O)CN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029568743 562035119 /nfs/dbraw/zinc/03/51/19/562035119.db2.gz BTSOOGIEGYSXLP-XMMPIXPASA-N 0 3 504.606 4.549 1 0 KJAFHN COc1ccccc1OC[C@@H](O)CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029568747 562035020 /nfs/dbraw/zinc/03/50/20/562035020.db2.gz CRHHBIXRAIQHDM-DEOSSOPVSA-N 0 3 504.606 4.549 1 0 KJAFHN COc1ccccc1OC[C@H](O)CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029568751 562035025 /nfs/dbraw/zinc/03/50/25/562035025.db2.gz CRHHBIXRAIQHDM-XMMPIXPASA-N 0 3 504.606 4.549 1 0 KJAFHN CCNC(=O)COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029569329 562035352 /nfs/dbraw/zinc/03/53/52/562035352.db2.gz RASVFXLQSBVBPR-UHFFFAOYSA-N 0 3 529.660 4.858 1 0 KJAFHN COC(=O)COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029569505 562035294 /nfs/dbraw/zinc/03/52/94/562035294.db2.gz LQUDOVHYYWVTRP-UHFFFAOYSA-N 0 3 516.617 4.895 1 0 KJAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccc3c(c2)OCO3)cc1 ZINC000029569972 562035415 /nfs/dbraw/zinc/03/54/15/562035415.db2.gz MMHNLEKURRPWTE-NZQKXSOJSA-N 0 3 518.635 4.818 1 0 KJAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccc3c(c2)OCO3)cc1 ZINC000029569975 562035395 /nfs/dbraw/zinc/03/53/95/562035395.db2.gz MMHNLEKURRPWTE-REWPJTCUSA-N 0 3 518.635 4.818 1 0 KJAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccc3c(c2)OCO3)cc1 ZINC000029569978 562035410 /nfs/dbraw/zinc/03/54/10/562035410.db2.gz MMHNLEKURRPWTE-NFBKMPQASA-N 0 3 518.635 4.818 1 0 KJAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccc3c(c2)OCO3)cc1 ZINC000029569981 562035400 /nfs/dbraw/zinc/03/54/00/562035400.db2.gz MMHNLEKURRPWTE-OFNKIYASSA-N 0 3 518.635 4.818 1 0 KJAFHN O=c1nc(NC2C[C@H]3CC[C@@H](C2)N3Cc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1CC(F)(F)F ZINC000034177953 562038350 /nfs/dbraw/zinc/03/83/50/562038350.db2.gz TUISOQBOQRFWFJ-AYHJJNSGSA-N 0 3 520.939 4.948 1 0 KJAFHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1 ZINC000034366271 562038850 /nfs/dbraw/zinc/03/88/50/562038850.db2.gz XQPLBOPPSBAOCM-QFIPXVFZSA-N 0 3 523.482 4.850 1 0 KJAFHN Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H]3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 ZINC000034495709 562038962 /nfs/dbraw/zinc/03/89/62/562038962.db2.gz QMJHLHFALIYCPJ-MHECFPHRSA-N 0 3 526.523 4.544 1 0 KJAFHN CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1 ZINC000034775579 562040395 /nfs/dbraw/zinc/04/03/95/562040395.db2.gz KDARXVILVONBOM-MRXNPFEDSA-N 0 3 528.506 4.504 1 0 KJAFHN Cc1ccc(-c2nn(CCCCN3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801004 562041114 /nfs/dbraw/zinc/04/11/14/562041114.db2.gz CSMFAMOAIHEURX-AREMUKBSSA-N 0 3 524.665 4.610 1 0 KJAFHN Cc1ccc(-c2nn(CCCCN3CCN(C[C@H]4COc5ccccc5O4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801005 562041085 /nfs/dbraw/zinc/04/10/85/562041085.db2.gz CSMFAMOAIHEURX-SANMLTNESA-N 0 3 524.665 4.610 1 0 KJAFHN CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801565 562041134 /nfs/dbraw/zinc/04/11/34/562041134.db2.gz YMOLTQUYGLBVRU-LJAQVGFWSA-N 0 3 612.793 4.833 1 0 KJAFHN CCCCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801566 562041155 /nfs/dbraw/zinc/04/11/55/562041155.db2.gz FRGRDUPCTIFEFM-MHZLTWQESA-N 0 3 585.723 4.894 1 0 KJAFHN O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1)OCc1ccccc1 ZINC000034801571 562041109 /nfs/dbraw/zinc/04/11/09/562041109.db2.gz WWMZNJLMVSBAMA-NDEPHWFRSA-N 0 3 591.686 4.514 1 0 KJAFHN CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801578 562041191 /nfs/dbraw/zinc/04/11/91/562041191.db2.gz FBJSOTGGJZTIBA-NDEPHWFRSA-N 0 3 598.766 4.809 1 0 KJAFHN CCCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801586 562041240 /nfs/dbraw/zinc/04/12/40/562041240.db2.gz MLNMRGQVYKLGOM-MHZLTWQESA-N 0 3 569.724 4.674 1 0 KJAFHN COc1cc2c(cc1OCCCN1CCC(CO)CC1)ncnc2Nc1cc(CC(=O)Nc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000034802967 562042346 /nfs/dbraw/zinc/04/23/46/562042346.db2.gz CSIWGLJKPPOVQR-UHFFFAOYSA-N 0 3 613.641 4.778 1 0 KJAFHN CCC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCC(C)C ZINC000034803881 562042846 /nfs/dbraw/zinc/04/28/46/562042846.db2.gz SRYUGNXSYKZULC-JDRBWAEDSA-N 0 3 681.875 4.584 1 0 KJAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CCCN2CCC(N3C(=O)COc4ccc(Cl)cc43)CC2)C1 ZINC000034804791 562043323 /nfs/dbraw/zinc/04/33/23/562043323.db2.gz BNUKWTZNHHNSEF-UHFFFAOYSA-N 0 3 663.038 4.564 1 0 KJAFHN CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804840 562043495 /nfs/dbraw/zinc/04/34/95/562043495.db2.gz DXZBVPJKNGQDSA-UHFFFAOYSA-N 0 3 581.639 4.754 1 0 KJAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(N3C(=O)COc4ccc(Cl)cc43)CC2)C1 ZINC000034804882 562043519 /nfs/dbraw/zinc/04/35/19/562043519.db2.gz SRBWXNQHBPHNCM-UHFFFAOYSA-N 0 3 652.139 4.820 1 0 KJAFHN O=c1c2ccc(NC3CCN(Cc4ccccc4)CC3)c3c2n(c(=O)n1-c1cccc(Cl)c1)CCC3 ZINC000034947965 562044080 /nfs/dbraw/zinc/04/40/80/562044080.db2.gz CMBWEMREZLUXHX-UHFFFAOYSA-N 0 3 501.030 4.829 1 0 KJAFHN O=C1CC[C@@]2(NC/C=C/Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 ZINC000035050547 562044469 /nfs/dbraw/zinc/04/44/69/562044469.db2.gz RTIXOOXRVMHTBL-CHXIJPCNSA-N 0 3 505.058 4.575 1 0 KJAFHN COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000035050559 562044599 /nfs/dbraw/zinc/04/45/99/562044599.db2.gz WNTWXBMTVNDDJZ-HFLONSNSSA-N 0 3 519.085 4.878 1 0 KJAFHN CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(Cl)nc4ccsc43)n[nH]c2C1(C)C)c1ccccc1 ZINC000035923188 562045741 /nfs/dbraw/zinc/04/57/41/562045741.db2.gz QUGIIMCIKDTDIW-QGZVFWFLSA-N 0 3 511.055 4.875 1 0 KJAFHN Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H]3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1 ZINC000035923263 562045736 /nfs/dbraw/zinc/04/57/36/562045736.db2.gz SARHRNVKZXZFIW-MHECFPHRSA-N 0 3 515.624 4.801 1 0 KJAFHN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000036124597 562047415 /nfs/dbraw/zinc/04/74/15/562047415.db2.gz SXPLGDIBIBYDHC-PBIKNJLJSA-N 0 3 563.783 4.566 1 0 KJAFHN O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CN3CCC(C(F)(F)F)CC3)ccc2C1 ZINC000036126730 562047595 /nfs/dbraw/zinc/04/75/95/562047595.db2.gz FKGZUCNTGAPMBO-MHZLTWQESA-N 0 3 517.611 4.844 1 0 KJAFHN CN(C)CCNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000036144191 562048273 /nfs/dbraw/zinc/04/82/73/562048273.db2.gz PJHXKXYCQMIZMT-UHFFFAOYSA-N 0 3 519.861 4.586 1 0 KJAFHN COCCNCc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000036161380 562048671 /nfs/dbraw/zinc/04/86/71/562048671.db2.gz AUQFXZSCVAWPIC-JYFHCDHNSA-N 0 3 567.674 4.569 1 0 KJAFHN CN(C)Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000036161446 562048745 /nfs/dbraw/zinc/04/87/45/562048745.db2.gz CREFAHYHJKYDJA-WIOPSUGQSA-N 0 3 537.648 4.894 1 0 KJAFHN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(c4ccncc4)CC3)cn2)c(F)c1 ZINC000036161477 562048801 /nfs/dbraw/zinc/04/88/01/562048801.db2.gz ZSZRHIVDXIDEAX-UHFFFAOYSA-N 0 3 543.574 4.783 1 0 KJAFHN COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000036221634 562051467 /nfs/dbraw/zinc/05/14/67/562051467.db2.gz JBNVIAMDBGQFPU-CBZTZNMZSA-N 0 3 535.084 4.629 1 0 KJAFHN COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000036221639 562051457 /nfs/dbraw/zinc/05/14/57/562051457.db2.gz XDXBTYKYLDMHQZ-HVNGRDOMSA-N 0 3 533.068 4.709 1 0 KJAFHN COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000036221949 562051633 /nfs/dbraw/zinc/05/16/33/562051633.db2.gz GVBJTHQLULFNPT-QOHCPDRESA-N 0 3 505.058 4.793 1 0 KJAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000036286061 562054625 /nfs/dbraw/zinc/05/46/25/562054625.db2.gz RERDNSGJFYIBFA-SVBPBHIXSA-N 0 3 500.687 4.695 1 0 KJAFHN Cc1cccc(CC(=O)NCc2ccc(-c3[nH]nc4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338845 562057322 /nfs/dbraw/zinc/05/73/22/562057322.db2.gz YKTVFDSYOHZGCB-UHFFFAOYSA-N 0 3 511.695 4.624 1 0 KJAFHN Cc1cccc(CC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)c1 ZINC000036338845 562057320 /nfs/dbraw/zinc/05/73/20/562057320.db2.gz YKTVFDSYOHZGCB-UHFFFAOYSA-N 0 3 511.695 4.624 1 0 KJAFHN COc1ccccc1Cn1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N ZINC000036349187 562057824 /nfs/dbraw/zinc/05/78/24/562057824.db2.gz GAFYPHCQRHOZET-HHHXNRCGSA-N 0 3 536.680 4.739 1 0 KJAFHN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 ZINC000036349236 562057919 /nfs/dbraw/zinc/05/79/19/562057919.db2.gz SMZXTOBUWJQADE-MUUNZHRXSA-N 0 3 566.706 4.747 1 0 KJAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4nccs4)C[C@H]23)CC1 ZINC000036351538 562058543 /nfs/dbraw/zinc/05/85/43/562058543.db2.gz FOKNOQMQHNCTGM-ZYKOEDHHSA-N 0 3 525.616 4.893 1 0 KJAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(=O)[nH]c4)C[C@H]23)CC1 ZINC000036351553 562058579 /nfs/dbraw/zinc/05/85/79/562058579.db2.gz YBFQLGQVVJVKER-WHSBFGAESA-N 0 3 535.586 4.537 1 0 KJAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(S(C)(=O)=O)cc4)C[C@H]23)CC1 ZINC000036351586 562058745 /nfs/dbraw/zinc/05/87/45/562058745.db2.gz RJXUAYMWGTUQIM-OROMBRFGSA-N 0 3 596.691 4.840 1 0 KJAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5c(c4)CC(=O)N5)C[C@H]23)CC1 ZINC000036351587 562058659 /nfs/dbraw/zinc/05/86/59/562058659.db2.gz PYZPYAOXOKKUCA-YRKKDBSBSA-N 0 3 573.635 4.931 1 0 KJAFHN COc1ccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cn1 ZINC000036351596 562058630 /nfs/dbraw/zinc/05/86/30/562058630.db2.gz FTASEOJYFQDDTN-LSCGWGKXSA-N 0 3 549.613 4.840 1 0 KJAFHN CNC(=O)c1ccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cc1 ZINC000036351597 562058625 /nfs/dbraw/zinc/05/86/25/562058625.db2.gz UQXNHWZJPIQLTE-PIRIWWGTSA-N 0 3 575.651 4.796 1 0 KJAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(N)cc4)C[C@H]23)CC1 ZINC000036351613 562058769 /nfs/dbraw/zinc/05/87/69/562058769.db2.gz UOCOEXSYYGTVTN-AVPJRLCVSA-N 0 3 500.062 4.653 1 0 KJAFHN CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCOCC5)c4)C[C@@H]3C2)CC1 ZINC000036351723 562059226 /nfs/dbraw/zinc/05/92/26/562059226.db2.gz ICMQMWJOLNDJNP-CLTMYIMISA-N 0 3 578.752 4.628 1 0 KJAFHN CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C=O)c4)C[C@@H]3C2)CC1 ZINC000036351724 562059160 /nfs/dbraw/zinc/05/91/60/562059160.db2.gz DPYOWKRMMBILEG-QFWOEDSFSA-N 0 3 507.629 4.608 1 0 KJAFHN CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCN(C)CC5)c4)C[C@@H]3C2)CC1 ZINC000036351726 562059179 /nfs/dbraw/zinc/05/91/79/562059179.db2.gz ORJXIEFYGFHZJE-HBVNVMGMSA-N 0 3 591.795 4.543 1 0 KJAFHN O=C1CC[C@](CCN2CC(N3CCC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000036465905 562060836 /nfs/dbraw/zinc/06/08/36/562060836.db2.gz NEPOEDGBXWMAGJ-RBJSKKJNSA-N 0 3 516.513 4.585 1 0 KJAFHN CCNC(=O)Nc1ccc2c(c1)C[C@H](N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000038149788 562066139 /nfs/dbraw/zinc/06/61/39/562066139.db2.gz YUYSYYPQUAIDDZ-XMMPIXPASA-N 0 3 545.103 4.649 1 0 KJAFHN CCNC(=O)Nc1ccc2c(c1)C[C@@H](N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000038149789 562066153 /nfs/dbraw/zinc/06/61/53/562066153.db2.gz YUYSYYPQUAIDDZ-DEOSSOPVSA-N 0 3 545.103 4.649 1 0 KJAFHN CC(C)CCN(C)[C@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)C(C)C ZINC000038150646 562066479 /nfs/dbraw/zinc/06/64/79/562066479.db2.gz WWDGIMCMFUEIKW-SVBPBHIXSA-N 0 3 523.718 4.850 1 0 KJAFHN CN(C[C@@H](CCN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152415 562067287 /nfs/dbraw/zinc/06/72/87/562067287.db2.gz MRUDBBXMRPEBRY-OBDYRVMHSA-N 0 3 527.731 4.812 1 0 KJAFHN CN(C[C@@H](CCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152416 562067246 /nfs/dbraw/zinc/06/72/46/562067246.db2.gz MRUDBBXMRPEBRY-SLQPCKNISA-N 0 3 527.731 4.812 1 0 KJAFHN CN(C[C@@H](CCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152417 562067257 /nfs/dbraw/zinc/06/72/57/562067257.db2.gz MRUDBBXMRPEBRY-RGSZASNESA-N 0 3 527.731 4.812 1 0 KJAFHN CN(CCCN1C(=O)C[S@@](=O)[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000038153807 562067850 /nfs/dbraw/zinc/06/78/50/562067850.db2.gz SHUKHGHJLUPUAN-DJRZPZLQSA-N 0 3 558.741 4.706 1 0 KJAFHN CN(CCCN1C(=O)C[S@@](=O)[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000038153808 562067800 /nfs/dbraw/zinc/06/78/00/562067800.db2.gz SHUKHGHJLUPUAN-IMSFFZSHSA-N 0 3 558.741 4.706 1 0 KJAFHN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000038159384 562070423 /nfs/dbraw/zinc/07/04/23/562070423.db2.gz STFHCRUNLPKGNS-HNYWZHMISA-N 0 3 614.688 4.959 1 0 KJAFHN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)C2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000038159385 562070453 /nfs/dbraw/zinc/07/04/53/562070453.db2.gz STFHCRUNLPKGNS-OMEOZLQRSA-N 0 3 614.688 4.959 1 0 KJAFHN C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N1CCCC1 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562072538 /nfs/dbraw/zinc/07/25/38/562072538.db2.gz WDOXJJKADMHSEE-MHZLTWQESA-N 0 3 529.603 4.528 1 0 KJAFHN COc1ccc(Oc2ccc(NC(=O)[C@H](C)N)cc2C(=O)NCc2csc(-c3cccs3)n2)cc1 ZINC000040392944 562073883 /nfs/dbraw/zinc/07/38/83/562073883.db2.gz ZZOCSDBVQGAOGW-HNNXBMFYSA-N 0 3 508.625 4.888 1 0 KJAFHN COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000040395400 562074464 /nfs/dbraw/zinc/07/44/64/562074464.db2.gz ZSBVCLMPTVSADA-WDJVXPEUSA-N 0 3 520.025 4.746 1 0 KJAFHN COc1ccc(CNc2ncnc3c2cc(NC(=O)C(F)(F)F)c(OC)c3CCN(C)C)cc1Cl ZINC000040401955 562074581 /nfs/dbraw/zinc/07/45/81/562074581.db2.gz HWPFUACZXJSGTJ-UHFFFAOYSA-N 0 3 511.932 4.517 1 0 KJAFHN Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(-c2ccsc2)c1 ZINC000040401972 562074579 /nfs/dbraw/zinc/07/45/79/562074579.db2.gz IIJOEYPWABJIOZ-UHFFFAOYSA-N 0 3 520.058 4.644 1 0 KJAFHN CN(C)CCN(C)C(=O)c1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040405200 562074985 /nfs/dbraw/zinc/07/49/85/562074985.db2.gz XFHOAEIPIHFKFF-UHFFFAOYSA-N 0 3 523.081 4.690 1 0 KJAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCOCC1 ZINC000040428660 562076581 /nfs/dbraw/zinc/07/65/81/562076581.db2.gz ZHUCRPJJILDDBD-GMAHTHKFSA-N 0 3 528.662 4.859 1 0 KJAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCOCC1 ZINC000040428661 562076615 /nfs/dbraw/zinc/07/66/15/562076615.db2.gz ZHUCRPJJILDDBD-JTHBVZDNSA-N 0 3 528.662 4.859 1 0 KJAFHN CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1 ZINC000040429392 562076741 /nfs/dbraw/zinc/07/67/41/562076741.db2.gz SAUWQAUYYQRKAV-UHFFFAOYSA-N 0 3 535.710 4.691 1 0 in-vitro KJAFHN CCCC1=C(C(=O)OCc2ccc(C(=O)N(C)CCN3CCCCC3)cc2)[C@H](c2cccc(C)c2)NC(=O)N1 ZINC000040503763 562077445 /nfs/dbraw/zinc/07/74/45/562077445.db2.gz NKEBXWGZIUFKDE-NDEPHWFRSA-N 0 3 532.685 4.704 1 0 KJAFHN CCCC1=C(C(=O)OCc2ccc(C(=O)N(C)CCN3CCCCC3)cc2)[C@@H](c2cccc(C)c2)NC(=O)N1 ZINC000040503765 562077542 /nfs/dbraw/zinc/07/75/42/562077542.db2.gz NKEBXWGZIUFKDE-MUUNZHRXSA-N 0 3 532.685 4.704 1 0 KJAFHN CS(=O)(=O)Nc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040639740 562078655 /nfs/dbraw/zinc/07/86/55/562078655.db2.gz SOPVJFSUUBABRS-UHFFFAOYSA-N 0 3 530.637 4.753 1 0 KJAFHN COc1cc(-n2cnc3cc(-c4ccc(NC(C)=O)cc4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040762809 562079411 /nfs/dbraw/zinc/07/94/11/562079411.db2.gz BNUDIJREBYJXML-UHFFFAOYSA-N 0 3 504.612 4.556 1 0 KJAFHN O=C(COc1cccc(Cl)c1)NC[C@@H]1CCCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)C1 ZINC000040845636 562080271 /nfs/dbraw/zinc/08/02/71/562080271.db2.gz FOTCYCGIASGDDZ-SFHVURJKSA-N 0 3 506.956 4.952 1 0 KJAFHN O=C(COc1cccc(Cl)c1)NC[C@H]1CCCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)C1 ZINC000040845638 562080282 /nfs/dbraw/zinc/08/02/82/562080282.db2.gz FOTCYCGIASGDDZ-GOSISDBHSA-N 0 3 506.956 4.952 1 0 KJAFHN Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000040862271 562080786 /nfs/dbraw/zinc/08/07/86/562080786.db2.gz 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KJAFHN CN1C[C@](C)(NC(=O)Nc2nc(C(C)(C)C)cs2)[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O ZINC000040891748 562082718 /nfs/dbraw/zinc/08/27/18/562082718.db2.gz UKCCRJLNYAYHBT-JQXZYWDBSA-N 0 3 531.698 4.865 1 0 KJAFHN CN1C[C@@](C)(NC(=O)Nc2nc(C(C)(C)C)cs2)[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O ZINC000040891749 562082775 /nfs/dbraw/zinc/08/27/75/562082775.db2.gz UKCCRJLNYAYHBT-QNXIHNPRSA-N 0 3 531.698 4.865 1 0 KJAFHN CN1C[C@](C)(NC(=O)Nc2nc(C(C)(C)C)cs2)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O ZINC000040891750 562082727 /nfs/dbraw/zinc/08/27/27/562082727.db2.gz UKCCRJLNYAYHBT-JNMBUGSCSA-N 0 3 531.698 4.865 1 0 KJAFHN CN1C[C@@](C)(NC(=O)Nc2nc(C(C)(C)C)cs2)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O ZINC000040891751 562082758 /nfs/dbraw/zinc/08/27/58/562082758.db2.gz UKCCRJLNYAYHBT-FBIATWESSA-N 0 3 531.698 4.865 1 0 KJAFHN O=C(CN1CCCCC1)Nc1cc(Nc2ccnc3cc(Cl)ccc32)cc(C(=O)NCCN2CCCC2)c1 ZINC000040897888 562083146 /nfs/dbraw/zinc/08/31/46/562083146.db2.gz DOSDPMXDSKRFTI-UHFFFAOYSA-N 0 3 535.092 4.882 1 0 KJAFHN CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](CC)C2)c(Cl)c1 ZINC000040914030 562083759 /nfs/dbraw/zinc/08/37/59/562083759.db2.gz XQWKNLJIWOTOKT-QFIPXVFZSA-N 0 3 504.506 4.703 1 0 KJAFHN Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccs2)cc1 ZINC000040916387 562083955 /nfs/dbraw/zinc/08/39/55/562083955.db2.gz FFMUPSTZOVMHKU-UHFFFAOYSA-N 0 3 520.058 4.644 1 0 KJAFHN Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccsc2)cc1 ZINC000040916389 562084007 /nfs/dbraw/zinc/08/40/07/562084007.db2.gz GMBKHKITOVCYNS-UHFFFAOYSA-N 0 3 520.058 4.644 1 0 KJAFHN Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(-c2cccs2)c1 ZINC000040918661 562084383 /nfs/dbraw/zinc/08/43/83/562084383.db2.gz XCLSUCUSUODVIU-UHFFFAOYSA-N 0 3 520.058 4.644 1 0 KJAFHN Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCN(C)C)c4ccccc43)c(Cl)c2)n1 ZINC000040952052 562086160 /nfs/dbraw/zinc/08/61/60/562086160.db2.gz XOUHJUVMKMDVFQ-XLNRJJMWSA-N 0 3 528.003 4.581 1 0 KJAFHN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)nc3NCCN(C)C)ncn2)s1 ZINC000040974630 562087103 /nfs/dbraw/zinc/08/71/03/562087103.db2.gz HFWRMSCKUYGCLW-UHFFFAOYSA-N 0 3 517.537 4.891 1 0 KJAFHN CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000040975472 562087152 /nfs/dbraw/zinc/08/71/52/562087152.db2.gz TVCZNUJSXSNMJP-BCHFMIIMSA-N 0 3 519.517 4.554 1 0 KJAFHN CN(CC(=O)N1CCN(C(=O)c2cccc(Cl)c2)C[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000040980094 562087498 /nfs/dbraw/zinc/08/74/98/562087498.db2.gz FWFPLZAJVCIVHZ-NRFANRHFSA-N 0 3 523.892 4.532 1 0 KJAFHN CN(CC(=O)N1CCN(C(=O)c2cccc(Cl)c2)C[C@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000040980096 562087463 /nfs/dbraw/zinc/08/74/63/562087463.db2.gz FWFPLZAJVCIVHZ-OAQYLSRUSA-N 0 3 523.892 4.532 1 0 KJAFHN O=C(COc1cccc(Cl)c1)NCC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1 ZINC000040980731 562087528 /nfs/dbraw/zinc/08/75/28/562087528.db2.gz WRFVUKXRRWOQNX-UHFFFAOYSA-N 0 3 506.956 4.952 1 0 KJAFHN O=C(Nc1cccc2c3c([nH]c21)[C@H]1Oc2c4c(ccc2O)C[C@H]2N(CC5CC5)CC[C@]41[C@@]2(O)C3)c1ccccc1 ZINC000042764516 562087566 /nfs/dbraw/zinc/08/75/66/562087566.db2.gz LNXAIUOZIUCGBQ-QZOULDPWSA-N 0 3 533.628 4.825 1 0 KJAFHN O=C1NCN(c2ccccc2)C12CCN(CCO[C@]1(c3ccc(Cl)c(Cl)c3)CCN(S(=O)(=O)c3ccccc3)C1)CC2 ZINC000042806410 562089557 /nfs/dbraw/zinc/08/95/57/562089557.db2.gz RXBIVTVHJAPOFO-WJOKGBTCSA-N 0 3 629.610 4.728 1 0 KJAFHN O=C1NCN(c2ccccc2)C12CCN(CCO[C@@]1(c3ccc(Cl)c(Cl)c3)CCN(S(=O)(=O)c3ccccc3)C1)CC2 ZINC000042806416 562089741 /nfs/dbraw/zinc/08/97/41/562089741.db2.gz RXBIVTVHJAPOFO-HKBQPEDESA-N 0 3 629.610 4.728 1 0 KJAFHN CCn1cnc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000042807712 581096295 /nfs/dbraw/zinc/09/62/95/581096295.db2.gz JTMOMHWUYKYKBN-LBNVMWSVSA-N 0 3 593.650 4.694 1 0 KJAFHN O=C(N[C@H](CN1CCOCC1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043021579 562644948 /nfs/dbraw/zinc/64/49/48/562644948.db2.gz LXXCGDJSCVIHPJ-MUUNZHRXSA-N 0 3 555.645 4.833 1 0 KJAFHN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043021582 562644956 /nfs/dbraw/zinc/64/49/56/562644956.db2.gz LXXCGDJSCVIHPJ-NDEPHWFRSA-N 0 3 555.645 4.833 1 0 KJAFHN COc1ccccc1C(=O)N1CCC(=CC(=O)N[C@@H]2CCN(Cc3ccc4cc(F)ccc4c3)C2)CC1 ZINC000043024079 562645021 /nfs/dbraw/zinc/64/50/21/562645021.db2.gz IJNQDTPSBBJNGA-AREMUKBSSA-N 0 3 501.602 4.541 1 0 KJAFHN COc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)cc1 ZINC000043025592 562645091 /nfs/dbraw/zinc/64/50/91/562645091.db2.gz NBEBRANGMLOBMY-HHHXNRCGSA-N 0 3 501.602 4.541 1 0 KJAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000043059285 562645104 /nfs/dbraw/zinc/64/51/04/562645104.db2.gz FFPXRAZWOIIMNJ-QFIPXVFZSA-N 0 3 531.623 4.505 1 0 KJAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000043059288 562645127 /nfs/dbraw/zinc/64/51/27/562645127.db2.gz FFPXRAZWOIIMNJ-JOCHJYFZSA-N 0 3 531.623 4.505 1 0 KJAFHN COc1ccc(OC2CN(C(=O)NC3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)C2)cc1 ZINC000043059566 562645122 /nfs/dbraw/zinc/64/51/22/562645122.db2.gz WXHIYPPCEREDIX-UHFFFAOYSA-N 0 3 528.575 4.942 1 0 KJAFHN COc1cccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)c1 ZINC000043060041 562645140 /nfs/dbraw/zinc/64/51/40/562645140.db2.gz NBOPVSYZBBKACL-HHHXNRCGSA-N 0 3 501.602 4.541 1 0 KJAFHN CN1CCC[C@H](COc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1 ZINC000043070973 562645537 /nfs/dbraw/zinc/64/55/37/562645537.db2.gz BEVOVTPAOFRXPQ-HNNXBMFYSA-N 0 3 516.299 4.966 1 0 KJAFHN CN1CCC[C@@H](COc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1 ZINC000043070976 562645572 /nfs/dbraw/zinc/64/55/72/562645572.db2.gz BEVOVTPAOFRXPQ-OAHLLOKOSA-N 0 3 516.299 4.966 1 0 KJAFHN CC(C)[C@@H](Cn1ccnc1)NC(=O)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043076089 562645714 /nfs/dbraw/zinc/64/57/14/562645714.db2.gz SWXMZPVNESUFKL-XMMPIXPASA-N 0 3 502.585 4.681 1 0 KJAFHN CC(C)[C@H](Cn1ccnc1)NC(=O)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043076092 562645711 /nfs/dbraw/zinc/64/57/11/562645711.db2.gz SWXMZPVNESUFKL-DEOSSOPVSA-N 0 3 502.585 4.681 1 0 KJAFHN CCOC(=O)Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000043079917 562645836 /nfs/dbraw/zinc/64/58/36/562645836.db2.gz VFFFBCOSXJNTAY-UHFFFAOYSA-N 0 3 541.656 4.735 1 0 KJAFHN CC(C)[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000043104579 562645985 /nfs/dbraw/zinc/64/59/85/562645985.db2.gz PLLATLJFWFCODP-PMERELPUSA-N 0 3 540.664 4.679 1 0 KJAFHN CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000043104582 562645989 /nfs/dbraw/zinc/64/59/89/562645989.db2.gz PLLATLJFWFCODP-SSEXGKCCSA-N 0 3 540.664 4.679 1 0 KJAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000043118267 562645994 /nfs/dbraw/zinc/64/59/94/562645994.db2.gz HQFOXALTXMATRX-DEOSSOPVSA-N 0 3 530.635 4.959 1 0 KJAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000043118274 562646018 /nfs/dbraw/zinc/64/60/18/562646018.db2.gz HQFOXALTXMATRX-XMMPIXPASA-N 0 3 530.635 4.959 1 0 KJAFHN O=C(N[C@H](Cn1cncn1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043120408 562646096 /nfs/dbraw/zinc/64/60/96/562646096.db2.gz VMMGFPNGNCDEDD-AREMUKBSSA-N 0 3 537.590 4.793 1 0 KJAFHN O=C(N[C@@H](Cn1cncn1)c1ccccc1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043120409 562646082 /nfs/dbraw/zinc/64/60/82/562646082.db2.gz VMMGFPNGNCDEDD-SANMLTNESA-N 0 3 537.590 4.793 1 0 KJAFHN COc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)cc1OC ZINC000043120455 562646099 /nfs/dbraw/zinc/64/60/99/562646099.db2.gz YKGYCRCKDMNYMC-HHHXNRCGSA-N 0 3 531.628 4.549 1 0 KJAFHN CCCN(CCC)CC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1 ZINC000043199653 562646850 /nfs/dbraw/zinc/64/68/50/562646850.db2.gz CNRZBQWPNAOKBA-UHFFFAOYSA-N 0 3 541.434 4.648 1 0 KJAFHN COCc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)NC2=O ZINC000043203210 562646960 /nfs/dbraw/zinc/64/69/60/562646960.db2.gz ULGBSRGDBHJMRG-IOWSJCHKSA-N 0 3 573.734 4.884 1 0 KJAFHN CN(C)C[C@H](c1nnc2n1-c1ccc(I)cc1C(c1ccccc1)=NC2)c1ccccc1 ZINC000043408985 562648249 /nfs/dbraw/zinc/64/82/49/562648249.db2.gz VJEKJRMKYRTKSE-QFIPXVFZSA-N 0 3 533.417 4.916 1 0 KJAFHN CN(C)C[C@@H](c1nnc2n1-c1ccc(I)cc1C(c1ccccc1)=NC2)c1ccccc1 ZINC000043408988 562648237 /nfs/dbraw/zinc/64/82/37/562648237.db2.gz VJEKJRMKYRTKSE-JOCHJYFZSA-N 0 3 533.417 4.916 1 0 KJAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCC[NH+](C)C)c3Cl)c2n1 ZINC000043524090 562648953 /nfs/dbraw/zinc/64/89/53/562648953.db2.gz YXBYTKAMMFZBBC-UHFFFAOYSA-N 0 3 567.539 4.554 1 0 KJAFHN CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000043524266 562648968 /nfs/dbraw/zinc/64/89/68/562648968.db2.gz LVQIXKQBYZMSKN-SFHVURJKSA-N 0 3 526.319 4.995 1 0 KJAFHN CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000043524269 562648961 /nfs/dbraw/zinc/64/89/61/562648961.db2.gz LVQIXKQBYZMSKN-GOSISDBHSA-N 0 3 526.319 4.995 1 0 KJAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)N4CCC[NH2+]CCC4)c3Cl)c2n1 ZINC000043524321 562649014 /nfs/dbraw/zinc/64/90/14/562649014.db2.gz DVUCSKRABMDWDA-UHFFFAOYSA-N 0 3 579.550 4.698 1 0 KJAFHN O=S(=O)(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccc2ccccc21 ZINC000043532511 562649352 /nfs/dbraw/zinc/64/93/52/562649352.db2.gz PDESKMSXRQQMBF-UHFFFAOYSA-N 0 3 552.144 4.830 1 0 KJAFHN CCC[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000043649052 562650593 /nfs/dbraw/zinc/65/05/93/562650593.db2.gz WVZFHHPARHVCTM-HHHXNRCGSA-N 0 3 551.695 4.666 1 0 KJAFHN CCC[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000043649052 562650592 /nfs/dbraw/zinc/65/05/92/562650592.db2.gz WVZFHHPARHVCTM-HHHXNRCGSA-N 0 3 551.695 4.666 1 0 KJAFHN CCOC(=O)C(=O)Nc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000043649833 562650668 /nfs/dbraw/zinc/65/06/68/562650668.db2.gz AMPKLQIAJVNDSL-UHFFFAOYSA-N 0 3 552.618 4.883 1 0 KJAFHN COc1cc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1 ZINC000044031645 562651558 /nfs/dbraw/zinc/65/15/58/562651558.db2.gz GBUPAIRVVQWJCN-GDLZYMKVSA-N 0 3 566.706 4.747 1 0 KJAFHN CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000044032051 562651720 /nfs/dbraw/zinc/65/17/20/562651720.db2.gz PWTZEFOOVNEYBB-SFHVURJKSA-N 0 3 526.319 4.995 1 0 KJAFHN CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000044032053 562651732 /nfs/dbraw/zinc/65/17/32/562651732.db2.gz PWTZEFOOVNEYBB-GOSISDBHSA-N 0 3 526.319 4.995 1 0 KJAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC4CC[NH2+]CC4)c3Cl)c2n1 ZINC000044052957 562651897 /nfs/dbraw/zinc/65/18/97/562651897.db2.gz AGMPLVXUBKEAQK-UHFFFAOYSA-N 0 3 579.550 4.602 1 0 KJAFHN C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4C=C(C5=C[C@@H]6[C@@H]7CC(=O)[C@H]8CCCN(C5=O)[C@@]86C[C@H](C)C7)C[C@H]2[C@]34C1 ZINC000044070068 562652150 /nfs/dbraw/zinc/65/21/50/562652150.db2.gz WIKLMEPVJASSRU-YSXVRAOPSA-N 0 3 502.699 4.912 1 0 KJAFHN CC(C)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000044280411 562652872 /nfs/dbraw/zinc/65/28/72/562652872.db2.gz AZZPPXKHXQFGEZ-MUUNZHRXSA-N 0 3 565.722 4.912 1 0 KJAFHN CC(C)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000044280411 562652871 /nfs/dbraw/zinc/65/28/71/562652871.db2.gz AZZPPXKHXQFGEZ-MUUNZHRXSA-N 0 3 565.722 4.912 1 0 KJAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1OC ZINC000044280659 562652897 /nfs/dbraw/zinc/65/28/97/562652897.db2.gz GKNLPEWXTIMDRO-LBNVMWSVSA-N 0 3 598.666 4.764 1 0 KJAFHN Cc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc32)cc1 ZINC000044281815 562653239 /nfs/dbraw/zinc/65/32/39/562653239.db2.gz WQSIOAGGMXCZHW-GGXMVOPNSA-N 0 3 588.730 4.527 1 0 KJAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)c(F)c(N2CCCC2=O)c1 ZINC000044307190 562653963 /nfs/dbraw/zinc/65/39/63/562653963.db2.gz RQXGWBAZTYRGOW-AHKZPQOWSA-N 0 3 586.630 4.895 1 0 KJAFHN CC(C)(N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c1 ZINC000044307522 562654029 /nfs/dbraw/zinc/65/40/29/562654029.db2.gz UAIHUXOSHTWSJE-UHFFFAOYSA-N 0 3 617.625 4.707 1 0 KJAFHN CCCN1CC[C@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307852 562654132 /nfs/dbraw/zinc/65/41/32/562654132.db2.gz JGMQOJSHZALBEB-RRPNLBNLSA-N 0 3 634.769 4.544 1 0 KJAFHN CCCN1CC[C@@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307857 562654119 /nfs/dbraw/zinc/65/41/19/562654119.db2.gz JGMQOJSHZALBEB-KAYWLYCHSA-N 0 3 634.769 4.544 1 0 KJAFHN CN1CC[NH+](CCCn2c3ccc(O)cc3c3c2cc(-c2c(Cl)cccc2Cl)c2c3C(=O)[N-]C2=O)CC1 ZINC000044308309 562654279 /nfs/dbraw/zinc/65/42/79/562654279.db2.gz XWVGCAPDXJMLLB-UHFFFAOYSA-N 0 3 537.447 4.995 1 0 KJAFHN CCn1ncc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000044351753 562654847 /nfs/dbraw/zinc/65/48/47/562654847.db2.gz JWSLPJZVLFZEJV-LITSAYRRSA-N 0 3 593.650 4.694 1 0 KJAFHN CC(C)(C)CC[N@H+]1CCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000044352075 562654969 /nfs/dbraw/zinc/65/49/69/562654969.db2.gz NRLJWPWRBPODBR-VWLOTQADSA-N 0 3 629.767 4.708 1 0 KJAFHN CC(C)(C)CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000044352075 562654968 /nfs/dbraw/zinc/65/49/68/562654968.db2.gz NRLJWPWRBPODBR-VWLOTQADSA-N 0 3 629.767 4.708 1 0 KJAFHN COC(=O)c1ccc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cccnc1 ZINC000044358165 562655280 /nfs/dbraw/zinc/65/52/80/562655280.db2.gz PLGXAYFAOKJBKP-UHFFFAOYSA-N 0 3 594.668 4.991 1 0 KJAFHN Oc1ccc2c3c1O[C@H]1c4c(c5cc(OC(F)(F)F)cc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000044358396 562655298 /nfs/dbraw/zinc/65/52/98/562655298.db2.gz CPDVSKQJFKCYLY-KZNIJNHCSA-N 0 3 538.566 4.891 1 0 KJAFHN Oc1ccc2c3c1O[C@H]1c4c(c5c6c(ccc5Br)CCCn64)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000044359073 562655417 /nfs/dbraw/zinc/65/54/17/562655417.db2.gz YRJAYXKAEVHWMP-QYHPOFIQSA-N 0 3 533.466 4.755 1 0 KJAFHN CC(C)Oc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000044360254 562655566 /nfs/dbraw/zinc/65/55/66/562655566.db2.gz UERQIIPHCPURCQ-UHFFFAOYSA-N 0 3 611.187 4.622 1 0 KJAFHN COC(=O)c1ccc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc(C)cn1 ZINC000044361968 562655790 /nfs/dbraw/zinc/65/57/90/562655790.db2.gz MMLZVVUSFLUJIM-UHFFFAOYSA-N 0 3 609.683 4.694 1 0 KJAFHN CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC[C@@H]2CCOC2)CC1 ZINC000044387669 562656167 /nfs/dbraw/zinc/65/61/67/562656167.db2.gz VFZFDRDJVOILGX-OEQAEZTDSA-N 0 3 548.555 4.959 1 0 KJAFHN CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC[C@@H]2CCOC2)CC1 ZINC000044387672 562656165 /nfs/dbraw/zinc/65/61/65/562656165.db2.gz VFZFDRDJVOILGX-GGPAXRDESA-N 0 3 548.555 4.959 1 0 KJAFHN CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC[C@H]2CCOC2)CC1 ZINC000044387675 562656133 /nfs/dbraw/zinc/65/61/33/562656133.db2.gz VFZFDRDJVOILGX-RZLJKOCPSA-N 0 3 548.555 4.959 1 0 KJAFHN CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC[C@H]2CCOC2)CC1 ZINC000044387678 562656161 /nfs/dbraw/zinc/65/61/61/562656161.db2.gz VFZFDRDJVOILGX-RSYZWFLXSA-N 0 3 548.555 4.959 1 0 KJAFHN CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C ZINC000044406153 562656813 /nfs/dbraw/zinc/65/68/13/562656813.db2.gz CETOWTIWZXCWLA-WINIVTDRSA-N 0 3 549.543 4.562 1 0 KJAFHN COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 ZINC000044406157 562656807 /nfs/dbraw/zinc/65/68/07/562656807.db2.gz BGNHNMCZDLGXJG-UDCNLSRBSA-N 0 3 549.543 4.690 1 0 KJAFHN CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(=O)CC(C)C)CC1 ZINC000044406806 562656997 /nfs/dbraw/zinc/65/69/97/562656997.db2.gz QKHCLTXQYSRSEK-XMMPIXPASA-N 0 3 561.554 4.596 1 0 KJAFHN O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCCC1 ZINC000044417488 562657119 /nfs/dbraw/zinc/65/71/19/562657119.db2.gz ARTMKCBBWGSNKB-KTTBDGARSA-N 0 3 527.665 4.501 1 0 KJAFHN Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000044418714 562657327 /nfs/dbraw/zinc/65/73/27/562657327.db2.gz UPJMBFUQDSWRDV-UHFFFAOYSA-N 0 3 557.098 4.648 1 0 KJAFHN CN(C)CCNC(=O)OCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000044430641 562657627 /nfs/dbraw/zinc/65/76/27/562657627.db2.gz QFYVJSKQPQIBGR-UHFFFAOYSA-N 0 3 539.080 4.844 1 0 KJAFHN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN5CCC(O)CC5)CC4)cc2)CC3)cc1 ZINC000044431465 562657879 /nfs/dbraw/zinc/65/78/79/562657879.db2.gz FHMMUBTUNQNCRG-UHFFFAOYSA-N 0 3 540.586 4.591 1 0 KJAFHN O=C(CCCCCNC(=O)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1)NCC[NH+]1CCCCC1 ZINC000045168220 562658104 /nfs/dbraw/zinc/65/81/04/562658104.db2.gz DWWFNTNXGAZAJR-UHFFFAOYSA-N 0 3 505.581 4.970 1 0 KJAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@@H]2CCN(CC3CCCCC3)C2)c1 ZINC000045168619 562658168 /nfs/dbraw/zinc/65/81/68/562658168.db2.gz QPMKDHBUNBEBDE-JOCHJYFZSA-N 0 3 509.594 4.891 1 0 KJAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@H]2CCN(CC3CCCCC3)C2)c1 ZINC000045168621 562658129 /nfs/dbraw/zinc/65/81/29/562658129.db2.gz QPMKDHBUNBEBDE-QFIPXVFZSA-N 0 3 509.594 4.891 1 0 KJAFHN Fc1ccc2nc(-c3ccc(-c4ccc(CN5CCN(CCN6CCOCC6)CC5)cc4)s3)[nH]c2c1 ZINC000045168870 562658157 /nfs/dbraw/zinc/65/81/57/562658157.db2.gz SUCFMPYAEUPZQF-UHFFFAOYSA-N 0 3 505.663 4.547 1 0 KJAFHN Fc1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(CCN6CCOCC6)CC5)cc4)s3)nc2c1 ZINC000045168870 562658156 /nfs/dbraw/zinc/65/81/56/562658156.db2.gz SUCFMPYAEUPZQF-UHFFFAOYSA-N 0 3 505.663 4.547 1 0 KJAFHN COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)[N-]CCc2ccccn2)s1 ZINC000045168881 562658150 /nfs/dbraw/zinc/65/81/50/562658150.db2.gz FTKXMVGRFHWVGP-UHFFFAOYSA-N 0 3 519.692 4.597 1 0 KJAFHN CCC[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)cc2)CC1 ZINC000045169026 562658194 /nfs/dbraw/zinc/65/81/94/562658194.db2.gz RUFSSMULOSNHIF-UHFFFAOYSA-N 0 3 513.063 4.925 1 0 KJAFHN O=C(N[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045188660 562658361 /nfs/dbraw/zinc/65/83/61/562658361.db2.gz BNESBUHMZRELFV-VWLOTQADSA-N 0 3 526.464 4.919 1 0 KJAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CCCCC3)C2)cc1 ZINC000045188883 562658365 /nfs/dbraw/zinc/65/83/65/562658365.db2.gz TWLGOWRBALKPOR-JOCHJYFZSA-N 0 3 509.594 4.891 1 0 KJAFHN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N[C@H]2CCN(CC3CCCCC3)C2)cc1 ZINC000045188886 562658306 /nfs/dbraw/zinc/65/83/06/562658306.db2.gz TWLGOWRBALKPOR-QFIPXVFZSA-N 0 3 509.594 4.891 1 0 KJAFHN Cc1c(Cn2nc(Cl)c(N3CCNCC3)cc2=O)cccc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000045190296 562658431 /nfs/dbraw/zinc/65/84/31/562658431.db2.gz QJGLGZOUUAPIRO-UHFFFAOYSA-N 0 3 529.044 4.974 1 0 KJAFHN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CCCCC3)C2)cc1 ZINC000045191315 562658588 /nfs/dbraw/zinc/65/85/88/562658588.db2.gz UTTHISPTRZTOEB-JOCHJYFZSA-N 0 3 509.594 4.891 1 0 KJAFHN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@H]2CCN(CC3CCCCC3)C2)cc1 ZINC000045191318 562658579 /nfs/dbraw/zinc/65/85/79/562658579.db2.gz UTTHISPTRZTOEB-QFIPXVFZSA-N 0 3 509.594 4.891 1 0 KJAFHN Oc1ccc(CCNc2nc(NCc3ccccc3-c3cccc(Cl)c3)nc(N3CCNCC3)n2)cc1 ZINC000045191335 562658544 /nfs/dbraw/zinc/65/85/44/562658544.db2.gz FQLZXYCLWQDLCW-UHFFFAOYSA-N 0 3 516.049 4.574 1 0 KJAFHN O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1 ZINC000045191720 562658585 /nfs/dbraw/zinc/65/85/85/562658585.db2.gz XSWWMFBYRSPOIQ-UHFFFAOYSA-N 0 3 515.017 4.666 1 0 KJAFHN O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccc(Cn2nc(Cl)c(N3CCNCC3)cc2=O)c1 ZINC000045193149 562658700 /nfs/dbraw/zinc/65/87/00/562658700.db2.gz DBFDFGUQOFTULO-UHFFFAOYSA-N 0 3 515.017 4.666 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc5nc(-n6cccc6)sc5c4)CC3)c2c1 ZINC000045193860 562658765 /nfs/dbraw/zinc/65/87/65/562658765.db2.gz PGTZWNCKQWYNQO-SANMLTNESA-N 0 3 527.650 4.572 1 0 KJAFHN Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(CCN6CCOCC6)CC5)c4)s3)[nH]c21 ZINC000045194112 562658754 /nfs/dbraw/zinc/65/87/54/562658754.db2.gz HUOHARKJRXKJST-UHFFFAOYSA-N 0 3 501.700 4.717 1 0 KJAFHN Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCN(CCN6CCOCC6)CC5)c4)s3)nc21 ZINC000045194112 562658753 /nfs/dbraw/zinc/65/87/53/562658753.db2.gz HUOHARKJRXKJST-UHFFFAOYSA-N 0 3 501.700 4.717 1 0 KJAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000045194211 562658821 /nfs/dbraw/zinc/65/88/21/562658821.db2.gz MBPKTUPCEHVKIU-MRSBXDGLSA-N 0 3 518.441 4.526 1 0 KJAFHN Cc1cc(NC(=O)CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1N1CCN(C(C)C)CC1 ZINC000045195038 562658886 /nfs/dbraw/zinc/65/88/86/562658886.db2.gz JNFDCMZMGJXSMP-UHFFFAOYSA-N 0 3 518.533 4.983 1 0 KJAFHN c1cc(C2=N[C@H]3CCCC[C@H]3N2)cc2[nH]c(CCc3nc4ccc(C5=N[C@H]6CCCC[C@H]6N5)cc4[nH]3)nc12 ZINC000045195898 562658904 /nfs/dbraw/zinc/65/89/04/562658904.db2.gz RDSSQPCIISVJNG-COPRSSIGSA-N 0 3 506.658 4.546 1 0 KJAFHN c1cc(C2=N[C@@H]3CCCC[C@@H]3N2)cc2[nH]c(CCc3nc4cc(C5=N[C@H]6CCCC[C@@H]6N5)ccc4[nH]3)nc12 ZINC000045195901 562658935 /nfs/dbraw/zinc/65/89/35/562658935.db2.gz RDSSQPCIISVJNG-MYGLTJDJSA-N 0 3 506.658 4.546 1 0 KJAFHN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@@H]2CCN(CC3CCCCC3)C2)c1 ZINC000045201036 562659014 /nfs/dbraw/zinc/65/90/14/562659014.db2.gz NUMDVQMAGKMYLD-JOCHJYFZSA-N 0 3 509.594 4.891 1 0 KJAFHN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@H]2CCN(CC3CCCCC3)C2)c1 ZINC000045201038 562658991 /nfs/dbraw/zinc/65/89/91/562658991.db2.gz NUMDVQMAGKMYLD-QFIPXVFZSA-N 0 3 509.594 4.891 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4cc5c(cc(Cl)cc5Cl)[nH]4)CC3)c2c1 ZINC000045201101 562659001 /nfs/dbraw/zinc/65/90/01/562659001.db2.gz OLJBUEQJCKQFIR-VWLOTQADSA-N 0 3 513.425 4.959 1 0 KJAFHN COc1ccc(CCNc2nc(NCCc3c[nH]cn3)nc(NCc3cccc4ccccc43)n2)cc1OC ZINC000045201190 562658964 /nfs/dbraw/zinc/65/89/64/562658964.db2.gz ZSWHUTXAMULWDK-UHFFFAOYSA-N 0 3 524.629 4.686 1 0 KJAFHN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(C(=O)NCCN(C)C)cc(C(F)(F)F)c1)CC2 ZINC000045201300 562659073 /nfs/dbraw/zinc/65/90/73/562659073.db2.gz JMDGGWODNFZTPQ-UHFFFAOYSA-N 0 3 502.459 4.919 1 0 KJAFHN Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000045202058 562659089 /nfs/dbraw/zinc/65/90/89/562659089.db2.gz CIIORNMXQQCITR-UHFFFAOYSA-N 0 3 529.044 4.974 1 0 KJAFHN Cc1ccc(Cn2nc(Cl)c(N3CCNCC3)cc2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000045202235 562659150 /nfs/dbraw/zinc/65/91/50/562659150.db2.gz REKYFZDZLVSGCG-UHFFFAOYSA-N 0 3 529.044 4.974 1 0 KJAFHN COc1ccc(C2CCN(CCN3CCC(NC(=O)c4cccc(-c5ccncc5)c4)CC3)CC2)c(OC)c1 ZINC000045202649 562659257 /nfs/dbraw/zinc/65/92/57/562659257.db2.gz XGHMBTNYMMKXSQ-UHFFFAOYSA-N 0 3 528.697 4.840 1 0 KJAFHN CN1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)ncn(Cc3ccccc3)c4=O)cc2Cl)CC1 ZINC000045210451 562659275 /nfs/dbraw/zinc/65/92/75/562659275.db2.gz WAJRMNVRKFRENQ-UHFFFAOYSA-N 0 3 503.002 4.824 1 0 KJAFHN O=C(Nc1ccc(Cn2nc(Cl)c(N3CCNCC3)cc2=O)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000045211124 562659368 /nfs/dbraw/zinc/65/93/68/562659368.db2.gz SPNPNSMSQAKQRD-UHFFFAOYSA-N 0 3 515.017 4.666 1 0 KJAFHN Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(CCN6CCOCC6)CC5)cc4)s3)[nH]c21 ZINC000045211166 562659373 /nfs/dbraw/zinc/65/93/73/562659373.db2.gz NSZTYVIBSIMNMC-UHFFFAOYSA-N 0 3 501.700 4.717 1 0 KJAFHN Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(CCN6CCOCC6)CC5)cc4)s3)nc21 ZINC000045211166 562659372 /nfs/dbraw/zinc/65/93/72/562659372.db2.gz NSZTYVIBSIMNMC-UHFFFAOYSA-N 0 3 501.700 4.717 1 0 KJAFHN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000045228038 562659423 /nfs/dbraw/zinc/65/94/23/562659423.db2.gz ZMUIBDKQGDLRIH-FWPKSBLBSA-N 0 3 514.457 4.742 1 0 KJAFHN O=C(Nc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000045229785 562659587 /nfs/dbraw/zinc/65/95/87/562659587.db2.gz RTJUZUYBIHQIJB-UHFFFAOYSA-N 0 3 515.017 4.666 1 0 KJAFHN Cc1cc(OCCCN2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ccccc2n1 ZINC000045230260 562659617 /nfs/dbraw/zinc/65/96/17/562659617.db2.gz VMSKFMGPKFXLAY-UHFFFAOYSA-N 0 3 507.578 4.774 1 0 KJAFHN O=C(c1ccccc1)n1ccc2cc(CNC[C@@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045253397 562659808 /nfs/dbraw/zinc/65/98/08/562659808.db2.gz KFNDXUMQSBHPHO-HHHXNRCGSA-N 0 3 520.420 4.906 1 0 KJAFHN O=C(c1ccccc1)n1ccc2cc(CNC[C@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045253399 562659783 /nfs/dbraw/zinc/65/97/83/562659783.db2.gz KFNDXUMQSBHPHO-MHZLTWQESA-N 0 3 520.420 4.906 1 0 KJAFHN COCCN1C(=S)N=NC1c1cnc2c(cccc2C(F)(F)F)c1N1CCN(C2CCCCC2)CC1 ZINC000045256621 562659933 /nfs/dbraw/zinc/65/99/33/562659933.db2.gz NIJKWXQRESUHDI-UHFFFAOYSA-N 0 3 520.625 4.902 1 0 KJAFHN CC1=N[C@@H]2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc65)n4C)CCC3=C[C@H]2O1 ZINC000045284309 562660078 /nfs/dbraw/zinc/66/00/78/562660078.db2.gz UWMNNXYMOFTXGP-CLJLJLNGSA-N 0 3 500.672 4.969 1 0 KJAFHN CC1=N[C@H]2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc65)n4C)CCC3=C[C@H]2O1 ZINC000045284311 562660154 /nfs/dbraw/zinc/66/01/54/562660154.db2.gz UWMNNXYMOFTXGP-IZZNHLLZSA-N 0 3 500.672 4.969 1 0 KJAFHN c1nn(C2CCN(Cc3ccccc3)CC2)c2nc(-c3cnc4ccccc4c3)nc(N3CCOCC3)c12 ZINC000045285885 562660145 /nfs/dbraw/zinc/66/01/45/562660145.db2.gz XTCASNBTSQVTFE-UHFFFAOYSA-N 0 3 505.626 4.715 1 0 KJAFHN c1nn(C2CCN(Cc3ccccc3)CC2)c2nc(-c3ccc4ncccc4c3)nc(N3CCOCC3)c12 ZINC000045289093 562660284 /nfs/dbraw/zinc/66/02/84/562660284.db2.gz WZQAKCHUPLEAER-UHFFFAOYSA-N 0 3 505.626 4.715 1 0 KJAFHN Cn1ccc2cccc(-c3nc4c(cnn4C4CCN(Cc5ccccc5)CC4)c(N4CCOCC4)n3)c21 ZINC000045298953 562660396 /nfs/dbraw/zinc/66/03/96/562660396.db2.gz CSWCYAKVQTXBOF-UHFFFAOYSA-N 0 3 507.642 4.659 1 0 KJAFHN Cc1cc(OCCCN2CCC(NS(=O)(=O)c3cccc(Br)c3)CC2)c2ccccc2n1 ZINC000045301449 562660533 /nfs/dbraw/zinc/66/05/33/562660533.db2.gz VEBUJODBXYOEPJ-UHFFFAOYSA-N 0 3 518.477 4.518 1 0 KJAFHN OCCCCCCNc1nc(NCc2ccccc2-c2ccc(C(F)(F)F)cc2)nc(N2CCNCC2)n1 ZINC000045302299 562660614 /nfs/dbraw/zinc/66/06/14/562660614.db2.gz NGDHAMIERNYMJH-UHFFFAOYSA-N 0 3 529.611 4.544 1 0 KJAFHN COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)[N-]Cc2cccnc2)s1 ZINC000045302684 562660679 /nfs/dbraw/zinc/66/06/79/562660679.db2.gz FVBHOIKUZOFMTR-UHFFFAOYSA-N 0 3 505.665 4.554 1 0 KJAFHN CCOC(=O)C1CCN(CCCNC(=O)/C(=C/C=C/c2cc3cc(Cl)c(Cl)cc3[nH]2)OC)CC1 ZINC000045302924 562660736 /nfs/dbraw/zinc/66/07/36/562660736.db2.gz WBQOBPZAINHHDD-KNFDJPOOSA-N 0 3 508.446 4.800 1 0 KJAFHN CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(CN(C)C)cc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000045320544 562661013 /nfs/dbraw/zinc/66/10/13/562661013.db2.gz XHNJXQFICQUYRG-PSWAGMNNSA-N 0 3 526.645 4.586 1 0 KJAFHN COc1cc(F)c2ncc(Cl)c(CCN3CCC(NCc4ccc5c(c4)NC(=O)CS5)CC3)c2c1 ZINC000045334720 562661286 /nfs/dbraw/zinc/66/12/86/562661286.db2.gz JQNYGYOMIIOFTG-UHFFFAOYSA-N 0 3 515.054 4.877 1 0 KJAFHN CN(C)CCOc1ccc2c(c1)CCn1nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c(C(N)=O)c1N2 ZINC000045336197 562661366 /nfs/dbraw/zinc/66/13/66/562661366.db2.gz BHJYLPCXJRRFBV-UHFFFAOYSA-N 0 3 525.613 4.533 1 0 KJAFHN CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCNc3cccc(c3)C(=O)N2)c1 ZINC000045338878 562661553 /nfs/dbraw/zinc/66/15/53/562661553.db2.gz QMDCLYWXGCPUJX-XZWHSSHBSA-N 0 3 501.671 4.886 1 0 KJAFHN Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNCc1cccc(C(C)C)c1)NC2=O ZINC000045339113 562661522 /nfs/dbraw/zinc/66/15/22/562661522.db2.gz TVDHOONBSNHWKJ-URLMMPGGSA-N 0 3 517.670 4.557 1 0 KJAFHN Cc1cc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)ccc1Br ZINC000045350294 562661711 /nfs/dbraw/zinc/66/17/11/562661711.db2.gz LEHYKFFHDVQFOX-UHFFFAOYSA-N 0 3 518.193 4.947 1 0 KJAFHN Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(OCCN3CCCC3)cc2)cc1 ZINC000045350749 562661701 /nfs/dbraw/zinc/66/17/01/562661701.db2.gz NVMPHSAOCLNQNJ-SANMLTNESA-N 0 3 506.668 4.664 1 0 KJAFHN Cc1cc2cc(n1)NCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNCc1cccc(C(C)C)c1)NC2=O ZINC000045374503 562662339 /nfs/dbraw/zinc/66/23/39/562662339.db2.gz WPGDASXVPILJSI-URLMMPGGSA-N 0 3 516.686 4.590 1 0 KJAFHN CCN(C)[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045385593 562662363 /nfs/dbraw/zinc/66/23/63/562662363.db2.gz GZEWCAHSAJHYKK-HJPURHCSSA-N 0 3 504.027 4.729 1 0 KJAFHN CCN(C)[C@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045385597 562662378 /nfs/dbraw/zinc/66/23/78/562662378.db2.gz GZEWCAHSAJHYKK-MWTRTKDXSA-N 0 3 504.027 4.729 1 0 KJAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCNCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000045497770 562662793 /nfs/dbraw/zinc/66/27/93/562662793.db2.gz ZUVWZOWYXTZKPL-FCXRPNKRSA-N 0 3 501.241 4.849 1 0 KJAFHN CCN(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(OC)c2)cc(N2CCCC2=O)c1 ZINC000048308967 562663146 /nfs/dbraw/zinc/66/31/46/562663146.db2.gz GNASPQAYPXWMIZ-IOWSJCHKSA-N 0 3 572.750 4.505 1 0 KJAFHN CN(CCCCOc1ccc(OCc2ccccc2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049000282 562663234 /nfs/dbraw/zinc/66/32/34/562663234.db2.gz LXGKXRUQWQYWIV-GDLZYMKVSA-N 0 3 522.596 4.814 1 0 KJAFHN CN(CCCCOc1ccc(OCc2ccccc2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049000284 562663218 /nfs/dbraw/zinc/66/32/18/562663218.db2.gz LXGKXRUQWQYWIV-LJAQVGFWSA-N 0 3 522.596 4.814 1 0 KJAFHN O=C(NCCN1CCCC1)c1cc2c[nH]nc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c-2n1 ZINC000049033833 562663457 /nfs/dbraw/zinc/66/34/57/562663457.db2.gz SJCQYTOHJMCKJL-UHFFFAOYSA-N 0 3 508.985 4.899 1 0 KJAFHN COc1cc2cccc3c2c(c1)C(=O)N(CC1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1)C3=O ZINC000049037091 562663608 /nfs/dbraw/zinc/66/36/08/562663608.db2.gz NQCMFGYMKMHVQO-HSZRJFAPSA-N 0 3 516.638 4.720 1 0 KJAFHN COc1cc2cccc3c2c(c1)C(=O)N(CC1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1)C3=O ZINC000049037093 562663613 /nfs/dbraw/zinc/66/36/13/562663613.db2.gz NQCMFGYMKMHVQO-QHCPKHFHSA-N 0 3 516.638 4.720 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2cccnc2)s1)C1CCCCC1 ZINC000049055545 562663896 /nfs/dbraw/zinc/66/38/96/562663896.db2.gz UAWQNILLPUUPES-OEOAZWSVSA-N 0 3 505.688 4.695 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccncc2)s1)C1CCCCC1 ZINC000049055548 562663922 /nfs/dbraw/zinc/66/39/22/562663922.db2.gz WQFARPRDXJNKOW-OEOAZWSVSA-N 0 3 505.688 4.695 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3ccccc32)cs1)C1CCCCC1 ZINC000049067558 562663979 /nfs/dbraw/zinc/66/39/79/562663979.db2.gz GXPYWYRUTUBCTI-WDNCENIBSA-N 0 3 505.688 4.695 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(nccc2-c2ccccc2)s1)C1CCCCC1 ZINC000049073067 562664278 /nfs/dbraw/zinc/66/42/78/562664278.db2.gz CLTARQPEHNOQCG-TZYHBYERSA-N 0 3 505.688 4.695 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cncc2-c2ccccc2)s1)C1CCCCC1 ZINC000049073069 562664259 /nfs/dbraw/zinc/66/42/59/562664259.db2.gz ULSNCAHGMVHVCJ-OEOAZWSVSA-N 0 3 505.688 4.695 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccnc2-c2ccccc2)s1)C1CCCCC1 ZINC000049073342 562664264 /nfs/dbraw/zinc/66/42/64/562664264.db2.gz DAXYGNXUBMFNHC-XZOYJPPVSA-N 0 3 505.688 4.695 1 0 KJAFHN CN(C)CCNc1nccc(N2CCc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3C2)n1 ZINC000049605001 562665194 /nfs/dbraw/zinc/66/51/94/562665194.db2.gz PMBQZHAFBBBRHK-UHFFFAOYSA-N 0 3 549.054 4.918 1 0 KJAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C3CCCC3)cc(N3CCCCS3(=O)=O)c2)c1 ZINC000049605237 562665563 /nfs/dbraw/zinc/66/55/63/562665563.db2.gz UJVJCTGBDVLNTJ-JHOUSYSJSA-N 0 3 605.801 4.775 1 0 KJAFHN Oc1ccc(CCNc2nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)nc(N3CCNCC3)n2)cc1 ZINC000049605366 562665745 /nfs/dbraw/zinc/66/57/45/562665745.db2.gz PZXIMMWLVKWMII-UHFFFAOYSA-N 0 3 549.601 4.939 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NCc4nc5c(cccc5OCc5ccccc5)[nH]4)CC3)c2c1 ZINC000049605569 562666019 /nfs/dbraw/zinc/66/60/19/562666019.db2.gz LZQVRDDSNOSPPV-LJAQVGFWSA-N 0 3 537.664 4.986 1 0 KJAFHN CN1CCC(N2CCN(CCOc3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3Br)CC2)CC1 ZINC000049605571 562665996 /nfs/dbraw/zinc/66/59/96/562665996.db2.gz AWIMDACXPWHYIY-RMKNXTFCSA-N 0 3 561.952 4.845 1 0 KJAFHN CCc1cc(OC)c(C(=O)NC2CCN(C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)cc1Br ZINC000049605601 562666094 /nfs/dbraw/zinc/66/60/94/562666094.db2.gz XZFMNCVZVDFKKJ-VWLOTQADSA-N 0 3 542.474 4.505 1 0 KJAFHN COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)CN2CC[C@@H](O)C2)ccc1OCCN1CCCC1 ZINC000049605671 562666126 /nfs/dbraw/zinc/66/61/26/562666126.db2.gz AXASNZPKVHWYBX-HSZRJFAPSA-N 0 3 599.153 4.809 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)COc4nc(SCc5ccc(F)cc5)nc5c4CCC5)CC3)c2c1 ZINC000049605788 562666380 /nfs/dbraw/zinc/66/63/80/562666380.db2.gz DBKWDGNFENJDLS-PMERELPUSA-N 0 3 617.747 4.647 1 0 KJAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=O)cc(N(c3ccccc3)S(C)(=O)=O)c2)c1 ZINC000049614353 562666587 /nfs/dbraw/zinc/66/65/87/562666587.db2.gz BGEADCXJYGZUSB-JHOUSYSJSA-N 0 3 651.732 4.766 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C[C@@H](COC)OC)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000049614444 562666601 /nfs/dbraw/zinc/66/66/01/562666601.db2.gz KYMQDOPUMYXEES-PUPDPRJKSA-N 0 3 669.810 4.931 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)cc([C@@H](C)NC(C)=O)c1 ZINC000049615226 562666637 /nfs/dbraw/zinc/66/66/37/562666637.db2.gz UGBSEOTXZMYIEQ-OAYMFJJQSA-N 0 3 652.783 4.925 1 0 KJAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc([C@H](C)O)cc(N(c3ccccc3)S(C)(=O)=O)c2)c1 ZINC000049615520 562666658 /nfs/dbraw/zinc/66/66/58/562666658.db2.gz QDATUSOTEUGAHJ-WGTOMPGPSA-N 0 3 653.748 4.616 1 0 KJAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc([C@@H](C)O)cc(N(c3ccccc3)S(C)(=O)=O)c2)c1 ZINC000049615524 562666667 /nfs/dbraw/zinc/66/66/67/562666667.db2.gz QDATUSOTEUGAHJ-PAXCQZPTSA-N 0 3 653.748 4.616 1 0 KJAFHN Cn1cccc1C(=O)NC[C@@H](CCNc1cc(=O)c2ccccc2[nH]1)NCc1cc(Br)cc(Br)c1 ZINC000049626640 562667255 /nfs/dbraw/zinc/66/72/55/562667255.db2.gz WFYGHLSYXBOVDC-HXUWFJFHSA-N 0 3 601.343 4.782 1 0 KJAFHN Cn1cccc1C(=O)NC[C@H](CCNc1cc(=O)c2ccccc2[nH]1)NCc1cc(Br)cc(Br)c1 ZINC000049626643 562667290 /nfs/dbraw/zinc/66/72/90/562667290.db2.gz WFYGHLSYXBOVDC-FQEVSTJZSA-N 0 3 601.343 4.782 1 0 KJAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3ccccc3)C(=O)O[C@@]21C ZINC000049637836 562667624 /nfs/dbraw/zinc/66/76/24/562667624.db2.gz CPZDQSZAEYIZNC-UCOZVZGJSA-N 0 3 701.902 4.636 1 0 KJAFHN COc1cc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C3CCCC3)cc(N3CCCC3=O)c2)cc(OC)c1 ZINC000049639149 562667661 /nfs/dbraw/zinc/66/76/61/562667661.db2.gz ZVTVIZJVYQIMFJ-JHOUSYSJSA-N 0 3 585.745 4.980 1 0 KJAFHN CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)cc2N1CCCCC1=O ZINC000049639183 562667677 /nfs/dbraw/zinc/66/76/77/562667677.db2.gz JFZSVGYNWLXEKB-IGYGKHONSA-N 0 3 568.718 4.748 1 0 KJAFHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049639248 562667735 /nfs/dbraw/zinc/66/77/35/562667735.db2.gz WCXKJWUOTNMBJM-GXUSPISNSA-N 0 3 568.567 4.992 1 0 KJAFHN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049639250 562667688 /nfs/dbraw/zinc/66/76/88/562667688.db2.gz WCXKJWUOTNMBJM-NGANZDCNSA-N 0 3 568.567 4.992 1 0 KJAFHN Cn1cc(NC(=O)c2ccc(Cc3ccc(C(=O)Nc4cc(C(=O)NCCN5CCCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCCN1CCCCC1 ZINC000049639622 562667787 /nfs/dbraw/zinc/66/77/87/562667787.db2.gz UKOKANOSBPUBPI-UHFFFAOYSA-N 0 3 720.919 4.890 1 0 KJAFHN Cn1cc(NC(=O)c2ccc(C(=O)c3ccc(C(=O)Nc4cc(C(=O)NCCN5CCCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCCN1CCCCC1 ZINC000049650140 562667991 /nfs/dbraw/zinc/66/79/91/562667991.db2.gz RULXFBYMYBLIEC-UHFFFAOYSA-N 0 3 734.902 4.531 1 0 KJAFHN CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)[C@@H](c1ccc(F)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000049650164 562667994 /nfs/dbraw/zinc/66/79/94/562667994.db2.gz UIPOPMDKEBFUAP-SSEXGKCCSA-N 0 3 644.735 4.984 1 0 KJAFHN CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)[C@H](c1ccc(F)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000049650165 562668015 /nfs/dbraw/zinc/66/80/15/562668015.db2.gz UIPOPMDKEBFUAP-PMERELPUSA-N 0 3 644.735 4.984 1 0 KJAFHN CN(C)[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)C1 ZINC000049670083 562668249 /nfs/dbraw/zinc/66/82/49/562668249.db2.gz DDYSIXDGDGDTAO-HXUWFJFHSA-N 0 3 561.639 4.971 1 0 KJAFHN CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OCCN1CCCCC1 ZINC000049678615 562668631 /nfs/dbraw/zinc/66/86/31/562668631.db2.gz VDEFSHMEYOAABL-LJAQVGFWSA-N 0 3 538.656 4.594 1 0 KJAFHN CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OCCN1CCCCC1 ZINC000049678618 562668638 /nfs/dbraw/zinc/66/86/38/562668638.db2.gz VDEFSHMEYOAABL-GDLZYMKVSA-N 0 3 538.656 4.594 1 0 KJAFHN COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC ZINC000049679580 562668909 /nfs/dbraw/zinc/66/89/09/562668909.db2.gz OIYJVYFIYZCHNR-AREMUKBSSA-N 0 3 612.818 4.752 1 0 KJAFHN CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(N(C)CCN(C)C)cc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000049695337 562670443 /nfs/dbraw/zinc/67/04/43/562670443.db2.gz KKONFQGHFMWUNZ-WMPKNSHKSA-N 0 3 569.714 4.523 1 0 KJAFHN COCCOCCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000049708668 562671033 /nfs/dbraw/zinc/67/10/33/562671033.db2.gz PVSGKYWYWGWPIF-WZRJCJTJSA-N 0 3 566.501 4.662 1 0 KJAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)c1cc(-c2ccccc2)cs1 ZINC000049710488 562671696 /nfs/dbraw/zinc/67/16/96/562671696.db2.gz LSTFVBNUFICPCC-NJVHYIPRSA-N 0 3 738.955 4.951 1 0 KJAFHN COc1ccc(S(=O)(=O)N(CCCN2CCN(C)CC2)Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)cc1 ZINC000049710613 562671730 /nfs/dbraw/zinc/67/17/30/562671730.db2.gz WDMBGZSBCIKCIA-UHFFFAOYSA-N 0 3 619.857 4.937 1 0 KJAFHN CCNc1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049711141 562671982 /nfs/dbraw/zinc/67/19/82/562671982.db2.gz KRONARNUBZQJAK-URLMMPGGSA-N 0 3 654.702 4.837 1 0 KJAFHN Cc1noc(C)c1S(=O)(=O)N(CC(C)C)[C@H](C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000049711287 562672012 /nfs/dbraw/zinc/67/20/12/562672012.db2.gz OPDNJALSLHMREF-SVBPBHIXSA-N 0 3 538.714 4.633 1 0 KJAFHN Cc1noc(C)c1S(=O)(=O)N(CC(C)C)[C@@H](C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000049711289 562672018 /nfs/dbraw/zinc/67/20/18/562672018.db2.gz OPDNJALSLHMREF-RRPNLBNLSA-N 0 3 538.714 4.633 1 0 KJAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3c(C(C)C)c[nH]c3c(N3CCCC3=O)c2)c1 ZINC000049722515 562672147 /nfs/dbraw/zinc/67/21/47/562672147.db2.gz QYAVUBBNFSLVON-IGYGKHONSA-N 0 3 568.718 4.919 1 0 KJAFHN CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)ncc2nc1-c1nonc1N ZINC000049722729 562672486 /nfs/dbraw/zinc/67/24/86/562672486.db2.gz ZKKMAMWSHPRKNH-UHFFFAOYSA-N 0 3 554.611 4.603 1 0 KJAFHN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1[C@H](CO)C=C[C@@H](NCc2ccccc2)[C@H]1O ZINC000049722883 562672662 /nfs/dbraw/zinc/67/26/62/562672662.db2.gz SXPVOOOQZCEXBW-CXYGRTPDSA-N 0 3 547.699 4.935 1 0 KJAFHN CO[C@@H](CNCc1ccccc1)C[C@@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1 ZINC000049722925 562672690 /nfs/dbraw/zinc/67/26/90/562672690.db2.gz RVLBBCQVPOSNBV-BBFZAZMFSA-N 0 3 738.854 4.585 1 0 KJAFHN COc1ccc2nc(-c3ccc(C(=O)NCCCN4CCN(c5cc(Cl)ccc5OC)CC4)cc3)[nH]c2c1 ZINC000049723041 562672867 /nfs/dbraw/zinc/67/28/67/562672867.db2.gz XGKRCSULJJMJAU-UHFFFAOYSA-N 0 3 534.060 4.843 1 0 KJAFHN COc1cc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C3CCCC3)cc(N3CCCCS3(=O)=O)c2)cc(OC)c1 ZINC000049723102 562672983 /nfs/dbraw/zinc/67/29/83/562672983.db2.gz HIEQBPWNVRUPBB-SZAHLOSFSA-N 0 3 635.827 4.783 1 0 KJAFHN CCn1cnc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCS1(=O)=O ZINC000049723103 562672959 /nfs/dbraw/zinc/67/29/59/562672959.db2.gz KRVYEWUDVIFUNR-LITSAYRRSA-N 0 3 657.759 4.842 1 0 KJAFHN c1cc(C2=N[C@@H]3CCCC[C@@H]3N2)cc2nc(CCCc3nc4cc(C5=N[C@@H]6CCCC[C@@H]6N5)ccc4[nH]3)[nH]c12 ZINC000049723158 562673004 /nfs/dbraw/zinc/67/30/04/562673004.db2.gz JKRDIYUZAXBYAI-MESAYYPLSA-N 0 3 520.685 4.937 1 0 KJAFHN CO[C@@H](CNCc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1 ZINC000049723276 562673165 /nfs/dbraw/zinc/67/31/65/562673165.db2.gz RVLBBCQVPOSNBV-SLTDDSHKSA-N 0 3 738.854 4.585 1 0 KJAFHN COc1ccc2nc(-c3ccc(C(=O)NCCCN4CCN(c5cc(Cl)ccc5OC)CC4)cc3OC)[nH]c2c1 ZINC000049746118 562674243 /nfs/dbraw/zinc/67/42/43/562674243.db2.gz OQFFRRVCSKXRNV-UHFFFAOYSA-N 0 3 564.086 4.851 1 0 KJAFHN CC(C)N1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC1 ZINC000049746507 562674469 /nfs/dbraw/zinc/67/44/69/562674469.db2.gz RIUYPINVLVPTAI-UHFFFAOYSA-N 0 3 588.087 4.707 1 0 KJAFHN CN1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049746956 562674687 /nfs/dbraw/zinc/67/46/87/562674687.db2.gz UFDWCHMFGTWGGU-UHFFFAOYSA-N 0 3 578.783 4.868 1 0 KJAFHN CN1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049756045 562674825 /nfs/dbraw/zinc/67/48/25/562674825.db2.gz JTFYAHITKTWTLJ-UHFFFAOYSA-N 0 3 578.783 4.868 1 0 KJAFHN CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCCN3CCN(C)CC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000049756147 562674869 /nfs/dbraw/zinc/67/48/69/562674869.db2.gz IDTFOXWTCZBUNZ-UHFFFAOYSA-N 0 3 558.723 4.910 1 0 KJAFHN CN(C)CCOc1ccc2c(c1)CCn1nc(-c3ccc(NC(=O)OCc4ccccc4)cc3)c(C(N)=O)c1N2 ZINC000049757422 562675970 /nfs/dbraw/zinc/67/59/70/562675970.db2.gz GEMHYHOQPVZACM-UHFFFAOYSA-N 0 3 540.624 4.638 1 0 KJAFHN COc1ccc2c(c1)OC[C@H](Cc1ccc(OCCN3CCCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049757542 562676074 /nfs/dbraw/zinc/67/60/74/562676074.db2.gz VSGFTYJFSJRYRY-SANMLTNESA-N 0 3 536.694 4.673 1 0 KJAFHN CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCCN3CCN(C)CC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000049767834 562677767 /nfs/dbraw/zinc/67/77/67/562677767.db2.gz GTZQUGPSEGPLGG-UHFFFAOYSA-N 0 3 558.723 4.910 1 0 KJAFHN CCN(C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1nccs1 ZINC000049767973 562677753 /nfs/dbraw/zinc/67/77/53/562677753.db2.gz HMEXQGCRIYZAFX-DNQXCXABSA-N 0 3 625.773 4.708 1 0 KJAFHN CCN(C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccc(O)cc1)NC(=O)OCc1cncs1 ZINC000049767975 562677735 /nfs/dbraw/zinc/67/77/35/562677735.db2.gz HMEXQGCRIYZAFX-BJKOFHAPSA-N 0 3 625.773 4.708 1 0 KJAFHN COc1cccc2c1OC[C@H](Cc1ccc(OCCN3CCCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049771370 562678142 /nfs/dbraw/zinc/67/81/42/562678142.db2.gz QEHAVJRYYKNRKO-SANMLTNESA-N 0 3 536.694 4.673 1 0 KJAFHN O=C(N[C@@H](CNC[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1)OCc1nccs1 ZINC000049775272 562678999 /nfs/dbraw/zinc/67/89/99/562678999.db2.gz FZIDUWWIFBUCIN-BJKOFHAPSA-N 0 3 565.721 4.564 1 0 KJAFHN O=C(N[C@@H](CNC[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1 ZINC000049775274 562678980 /nfs/dbraw/zinc/67/89/80/562678980.db2.gz FZIDUWWIFBUCIN-DNQXCXABSA-N 0 3 565.721 4.564 1 0 KJAFHN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc32)c2ccccc12 ZINC000049777067 562679615 /nfs/dbraw/zinc/67/96/15/562679615.db2.gz ACOAEBWKCOUSCQ-NDEPHWFRSA-N 0 3 555.700 4.922 1 0 KJAFHN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc32)c2ccccc12 ZINC000049777068 562679599 /nfs/dbraw/zinc/67/95/99/562679599.db2.gz ACOAEBWKCOUSCQ-MUUNZHRXSA-N 0 3 555.700 4.922 1 0 KJAFHN Cc1c(C(=O)NCCCN2CCN(C)CC2)nc2cn[nH]c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c1-2 ZINC000049777161 562679723 /nfs/dbraw/zinc/67/97/23/562679723.db2.gz LREJPDVGVCQBEA-UHFFFAOYSA-N 0 3 566.081 4.749 1 0 KJAFHN Cc1c(C(=O)NCCCN2CCN(C)CC2)[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12 ZINC000049777161 562679722 /nfs/dbraw/zinc/67/97/22/562679722.db2.gz LREJPDVGVCQBEA-UHFFFAOYSA-N 0 3 566.081 4.749 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5s4)N4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000049777949 562680721 /nfs/dbraw/zinc/68/07/21/562680721.db2.gz NSOPRCNUTOWNNJ-SQDTVNEGSA-N 0 3 588.774 4.923 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5s4)N4C[C@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000049777950 562680714 /nfs/dbraw/zinc/68/07/14/562680714.db2.gz NSOPRCNUTOWNNJ-GPNZKFMPSA-N 0 3 588.774 4.923 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cc5ccccc5s4)N4C[C@@H](C)O[C@H](C)C4)CC3)c2c1 ZINC000049777951 562680711 /nfs/dbraw/zinc/68/07/11/562680711.db2.gz NSOPRCNUTOWNNJ-DPXQANEFSA-N 0 3 588.774 4.923 1 0 KJAFHN CC(C)N1CCN(C(=O)c2ccc(CN(C)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)CC1 ZINC000049780270 562681517 /nfs/dbraw/zinc/68/15/17/562681517.db2.gz NBLDGXOQBJZAJG-UHFFFAOYSA-N 0 3 552.616 4.865 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000049783893 562683283 /nfs/dbraw/zinc/68/32/83/562683283.db2.gz ZHZSBUKNHGZRTJ-DSPMFFIESA-N 0 3 606.758 4.711 1 0 in-vitro KJAFHN Cc1cc(N2CCN(CCCF)CC2)cc2[nH]c(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)nc21 ZINC000049784492 562683611 /nfs/dbraw/zinc/68/36/11/562683611.db2.gz VUVAXIBXIAPBBM-XMMPIXPASA-N 0 3 539.055 4.507 1 0 KJAFHN Cc1cc(N2CCN(CCCF)CC2)cc2nc(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)[nH]c21 ZINC000049784492 562683610 /nfs/dbraw/zinc/68/36/10/562683610.db2.gz VUVAXIBXIAPBBM-XMMPIXPASA-N 0 3 539.055 4.507 1 0 KJAFHN CC(C)NC(=O)Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049784555 562683662 /nfs/dbraw/zinc/68/36/62/562683662.db2.gz LEYYPJYBFZEGQD-UHFFFAOYSA-N 0 3 554.699 4.697 1 0 KJAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)N1C[C@H](C(=O)N(C)C2CCN(C)CC2)c2ccccc21 ZINC000049785597 562684048 /nfs/dbraw/zinc/68/40/48/562684048.db2.gz JSEUEKFQEMCCOC-NRFANRHFSA-N 0 3 518.104 4.708 1 0 KJAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)N1C[C@@H](C(=O)N(C)C2CCN(C)CC2)c2ccccc21 ZINC000049785598 562684046 /nfs/dbraw/zinc/68/40/46/562684046.db2.gz JSEUEKFQEMCCOC-OAQYLSRUSA-N 0 3 518.104 4.708 1 0 KJAFHN O=C1c2cccc3cccc(c32)C(=O)N1C1CCN(C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC000049785913 562684177 /nfs/dbraw/zinc/68/41/77/562684177.db2.gz CFGRSSGFUGIJMC-JOCHJYFZSA-N 0 3 519.601 4.975 1 0 KJAFHN O=C1c2cccc3cccc(c32)C(=O)N1C1CCN(C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC000049785914 562684187 /nfs/dbraw/zinc/68/41/87/562684187.db2.gz CFGRSSGFUGIJMC-QFIPXVFZSA-N 0 3 519.601 4.975 1 0 KJAFHN O=C(N[C@H](CNC[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1 ZINC000049792437 562684356 /nfs/dbraw/zinc/68/43/56/562684356.db2.gz FZIDUWWIFBUCIN-ZEQRLZLVSA-N 0 3 565.721 4.564 1 0 KJAFHN CCN(C[C@H](CC(C)C)NC(=O)OCc1cncs1)C[C@H](CC(C)C)NC(=O)OCc1nccs1 ZINC000049792922 562684540 /nfs/dbraw/zinc/68/45/40/562684540.db2.gz LNFPYTXWNUBAEF-PMACEKPBSA-N 0 3 525.741 4.904 1 0 KJAFHN CC(=O)NC(C)(C)[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CNCc2cccc(C(C)C)c2)C1 ZINC000049792976 562684532 /nfs/dbraw/zinc/68/45/32/562684532.db2.gz JKZUWZCUDKMAKA-RYTSNQFKSA-N 0 3 521.746 4.709 1 0 KJAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCCC4)c3)nn2C[C@H](O)CN2CCC(c3ccccn3)CC2)C1 ZINC000049793337 562684709 /nfs/dbraw/zinc/68/47/09/562684709.db2.gz ODBZHMYVWOXQFV-AREMUKBSSA-N 0 3 720.884 4.627 1 0 KJAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCCC4)c3)nn2C[C@@H](O)CN2CCC(c3ccccn3)CC2)C1 ZINC000049793338 562684741 /nfs/dbraw/zinc/68/47/41/562684741.db2.gz ODBZHMYVWOXQFV-SANMLTNESA-N 0 3 720.884 4.627 1 0 KJAFHN C[C@@H](NC(=O)c1cc(-c2ncc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049793676 562685044 /nfs/dbraw/zinc/68/50/44/562685044.db2.gz XWKZFPZEUSXHQE-SONOPUAISA-N 0 3 550.656 4.784 1 0 KJAFHN O=C(Nc1ncc[nH]1)Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049802304 562685622 /nfs/dbraw/zinc/68/56/22/562685622.db2.gz FTALCBNCXWPPIP-UHFFFAOYSA-N 0 3 578.681 4.534 1 0 KJAFHN CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)c(OC)cc43)ccc2s1 ZINC000049802942 562685987 /nfs/dbraw/zinc/68/59/87/562685987.db2.gz CNDBZRMHYVRYNY-UHFFFAOYSA-N 0 3 535.670 4.790 1 0 KJAFHN CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCCN5CCN(C)CC5)cc43)ccc2s1 ZINC000049803038 562685995 /nfs/dbraw/zinc/68/59/95/562685995.db2.gz FKNSQQNBPLCHHM-UHFFFAOYSA-N 0 3 535.670 4.790 1 0 KJAFHN Cc1ncnc(C)c1C(=O)N1C[C@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3cccc(F)c3)C[C@H]2C1 ZINC000049803145 562686064 /nfs/dbraw/zinc/68/60/64/562686064.db2.gz IMJPQHNLQIVGPM-GSLIJJQTSA-N 0 3 557.661 4.700 1 0 KJAFHN O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)C(=O)CN3)cc1)N1CCC[C@H]1CN1CCCC1 ZINC000049807904 562686567 /nfs/dbraw/zinc/68/65/67/562686567.db2.gz JTZMBBMMIOHIOW-VWLOTQADSA-N 0 3 531.607 4.686 1 0 KJAFHN Nc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ccc6nc5-c5ccccc5)cc4)CC3)n2)cn1 ZINC000049832770 562687258 /nfs/dbraw/zinc/68/72/58/562687258.db2.gz OWUIQMLTTIDFOA-UHFFFAOYSA-N 0 3 667.822 4.615 1 0 KJAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCN3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000049833200 562687571 /nfs/dbraw/zinc/68/75/71/562687571.db2.gz CEUKEBDCJVKUQZ-UHFFFAOYSA-N 0 3 653.268 4.888 1 0 KJAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCN3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000049833581 562687890 /nfs/dbraw/zinc/68/78/90/562687890.db2.gz VPGSUCZVSUITFC-UHFFFAOYSA-N 0 3 653.268 4.888 1 0 KJAFHN CN[C@@H](Cn1c(=O)c(-c2cccc(OCC[N@@H+](C)CC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049841277 562688188 /nfs/dbraw/zinc/68/81/88/562688188.db2.gz LINFTOFILYRPLU-SANMLTNESA-N 0 3 660.640 4.687 1 0 KJAFHN CN[C@@H](Cn1c(=O)c(-c2cccc(OCC[N@H+](C)CC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049841277 562688187 /nfs/dbraw/zinc/68/81/87/562688187.db2.gz LINFTOFILYRPLU-SANMLTNESA-N 0 3 660.640 4.687 1 0 KJAFHN CC(C)Oc1ccccc1N1CCN(CCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049841315 562688217 /nfs/dbraw/zinc/68/82/17/562688217.db2.gz KEXZBQSCYJICOO-MUUNZHRXSA-N 0 3 651.252 4.638 1 0 KJAFHN CC(C)Oc1ccccc1N1CCN(CCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049841316 562688242 /nfs/dbraw/zinc/68/82/42/562688242.db2.gz KEXZBQSCYJICOO-NDEPHWFRSA-N 0 3 651.252 4.638 1 0 KJAFHN CCOc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049841474 562688413 /nfs/dbraw/zinc/68/84/13/562688413.db2.gz UOHOVARVYPIDAL-MUUNZHRXSA-N 0 3 651.252 4.640 1 0 KJAFHN CCOc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049841475 562688419 /nfs/dbraw/zinc/68/84/19/562688419.db2.gz UOHOVARVYPIDAL-NDEPHWFRSA-N 0 3 651.252 4.640 1 0 KJAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049841586 562688513 /nfs/dbraw/zinc/68/85/13/562688513.db2.gz TYXIXPLOEYJSBT-UHFFFAOYSA-N 0 3 653.268 4.886 1 0 KJAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCN(C)CC1 ZINC000049872509 562690082 /nfs/dbraw/zinc/69/00/82/562690082.db2.gz ZCDDSAFCVJQEDO-VWNXMTODSA-N 0 3 541.705 4.774 1 0 KJAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCN(C)CC1 ZINC000049872510 562690087 /nfs/dbraw/zinc/69/00/87/562690087.db2.gz ZCDDSAFCVJQEDO-UPVQGACJSA-N 0 3 541.705 4.774 1 0 KJAFHN Oc1ccc2c3c1O[C@H]1c4c(c5ccc(Br)c6c5n4CCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000049877907 562690341 /nfs/dbraw/zinc/69/03/41/562690341.db2.gz AYAWPTOPXYJOHV-KZNIJNHCSA-N 0 3 533.466 4.755 1 0 KJAFHN CC(=O)Oc1ccccc1CN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000049878758 562690793 /nfs/dbraw/zinc/69/07/93/562690793.db2.gz ICGMXFMKPZAOOG-QHCPKHFHSA-N 0 3 581.518 4.775 1 0 KJAFHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2cccc(F)c2)cc1 ZINC000049881406 562690787 /nfs/dbraw/zinc/69/07/87/562690787.db2.gz WWGZWGCAWTUHCL-QFIPXVFZSA-N 0 3 541.472 4.989 1 0 KJAFHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccc(F)cc2)cc1 ZINC000049881437 562690832 /nfs/dbraw/zinc/69/08/32/562690832.db2.gz PWOOSNJNGOSCCW-QFIPXVFZSA-N 0 3 541.472 4.989 1 0 KJAFHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2cccc(O)c2)cc1 ZINC000049881497 562690840 /nfs/dbraw/zinc/69/08/40/562690840.db2.gz GCGKFTIWTCUWFE-QFIPXVFZSA-N 0 3 539.481 4.555 1 0 KJAFHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)CCc2ccccc2O)cc1 ZINC000049881581 562690957 /nfs/dbraw/zinc/69/09/57/562690957.db2.gz MNUAQQOOGCDTIQ-QFIPXVFZSA-N 0 3 553.508 4.598 1 0 KJAFHN CS(=O)(=O)Nc1ccc(OC[C@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2cccc(O)c2)cc1 ZINC000049881627 562691012 /nfs/dbraw/zinc/69/10/12/562691012.db2.gz GCGKFTIWTCUWFE-JOCHJYFZSA-N 0 3 539.481 4.555 1 0 KJAFHN COc1cccc(CN(CCc2ccc(Cl)c(Cl)c2)C[C@H](O)COc2ccc(NS(C)(=O)=O)cc2)c1OC ZINC000049881628 562691018 /nfs/dbraw/zinc/69/10/18/562691018.db2.gz ASWHUVJSQCWYNI-QFIPXVFZSA-N 0 3 583.534 4.867 1 0 KJAFHN COc1ccccc1CN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000049881683 562691050 /nfs/dbraw/zinc/69/10/50/562691050.db2.gz JNCGODQBUQDLHH-QFIPXVFZSA-N 0 3 553.508 4.858 1 0 KJAFHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2cccc3c2OCO3)cc1 ZINC000049881688 562691041 /nfs/dbraw/zinc/69/10/41/562691041.db2.gz OPOQTEQJKGQYHV-NRFANRHFSA-N 0 3 567.491 4.578 1 0 KJAFHN Cc1ccc([C@@H](CC(N)=O)NC(=O)CCNCc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049881769 562691084 /nfs/dbraw/zinc/69/10/84/562691084.db2.gz VAPBRTNJJGBOJR-RUZDIDTESA-N 0 3 551.478 4.762 1 0 KJAFHN Cc1ccc([C@H](CC(N)=O)NC(=O)CCNCc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049881770 562691122 /nfs/dbraw/zinc/69/11/22/562691122.db2.gz VAPBRTNJJGBOJR-VWLOTQADSA-N 0 3 551.478 4.762 1 0 KJAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1OC ZINC000049888934 562691619 /nfs/dbraw/zinc/69/16/19/562691619.db2.gz GDPXKICHFRFONP-LITSAYRRSA-N 0 3 648.748 4.568 1 0 KJAFHN O=C([C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049889083 562691772 /nfs/dbraw/zinc/69/17/72/562691772.db2.gz QWHSQMJRLKQTCQ-MHZLTWQESA-N 0 3 641.778 4.852 1 0 KJAFHN O=C([C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049889083 562691771 /nfs/dbraw/zinc/69/17/71/562691771.db2.gz QWHSQMJRLKQTCQ-MHZLTWQESA-N 0 3 641.778 4.852 1 0 KJAFHN CN[C@@H](Cn1c(=O)c(-c2cccc(OCCC[NH2+]CC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049889143 562691825 /nfs/dbraw/zinc/69/18/25/562691825.db2.gz OMNLHFZYIBOWOH-SANMLTNESA-N 0 3 660.640 4.735 1 0 KJAFHN CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000049889344 562691989 /nfs/dbraw/zinc/69/19/89/562691989.db2.gz YQZZHORNIAORJO-UEWHTKCSSA-N 0 3 733.976 4.886 1 0 KJAFHN CCOc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1 ZINC000049898813 562692892 /nfs/dbraw/zinc/69/28/92/562692892.db2.gz NAAIBXRKYAZKLR-UHFFFAOYSA-N 0 3 653.268 4.888 1 0 KJAFHN Nc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)n2)cn1 ZINC000049898847 562692910 /nfs/dbraw/zinc/69/29/10/562692910.db2.gz KOKMYZZUDCMIMA-UHFFFAOYSA-N 0 3 667.822 4.615 1 0 KJAFHN COc1cc2c(cc1OCCCCN1CCN(CCCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000049899591 562693242 /nfs/dbraw/zinc/69/32/42/562693242.db2.gz IHHVRBRJAXECDG-PUHABZHSSA-N 0 3 722.834 4.877 1 0 KJAFHN COc1cc2c(cc1OCCCCN1CCN(CCCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@H](F)CN1C2=O ZINC000049899592 562693244 /nfs/dbraw/zinc/69/32/44/562693244.db2.gz IHHVRBRJAXECDG-LJWNLINESA-N 0 3 722.834 4.877 1 0 KJAFHN COc1cc2c(cc1OCCCCN1CCN(CCCCOc3cc4c(cc3OC)C(=O)N3C[C@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000049899593 562693246 /nfs/dbraw/zinc/69/32/46/562693246.db2.gz IHHVRBRJAXECDG-VIJSPRBVSA-N 0 3 722.834 4.877 1 0 KJAFHN Nc1c(I)cc(C(=O)Nc2ccc3nc4c(c(N)c3c2)CCCC4)cc1I ZINC000049917581 562693654 /nfs/dbraw/zinc/69/36/54/562693654.db2.gz OHCRDBBYBUSGGH-UHFFFAOYSA-N 0 3 584.199 4.740 1 0 KJAFHN CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCCN5CCCCC5)cc4)c3)ncc2nc1-c1nonc1N ZINC000049917654 562693699 /nfs/dbraw/zinc/69/36/99/562693699.db2.gz GITCPPHGBGUPEO-UHFFFAOYSA-N 0 3 568.638 4.993 1 0 KJAFHN Oc1ccc(C[C@H]2CCCN(c3nc(NCCCOc4ccccc4-c4ccccc4)nc(N4CCNCC4)n3)C2)cc1 ZINC000049917764 562693834 /nfs/dbraw/zinc/69/38/34/562693834.db2.gz AVSHXORGLDZTSV-HHHXNRCGSA-N 0 3 579.749 4.994 1 0 KJAFHN Oc1ccc(C[C@@H]2CCCN(c3nc(NCCCOc4ccccc4-c4ccccc4)nc(N4CCNCC4)n3)C2)cc1 ZINC000049917765 562693905 /nfs/dbraw/zinc/69/39/05/562693905.db2.gz AVSHXORGLDZTSV-MHZLTWQESA-N 0 3 579.749 4.994 1 0 KJAFHN CC(C)N1CCN(C(=O)c2ccc(CNCCCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)CC1 ZINC000049917768 562693890 /nfs/dbraw/zinc/69/38/90/562693890.db2.gz BUNSAGGXQNIFPG-UHFFFAOYSA-N 0 3 538.589 4.523 1 0 KJAFHN CN1CCN(CCCN(Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)S(=O)(=O)c2ccccc2)CC1 ZINC000049917848 562693981 /nfs/dbraw/zinc/69/39/81/562693981.db2.gz VQKBURCXJDTFSJ-UHFFFAOYSA-N 0 3 589.831 4.928 1 0 KJAFHN O=C(NCCCCN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049917962 562694188 /nfs/dbraw/zinc/69/41/88/562694188.db2.gz YWVRWBUUHCFUKR-UHFFFAOYSA-N 0 3 550.055 4.815 1 0 KJAFHN COc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1CN(C)CCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000049918032 562694302 /nfs/dbraw/zinc/69/43/02/562694302.db2.gz WKWXTDKZZRBYMS-UHFFFAOYSA-N 0 3 576.613 4.812 1 0 KJAFHN COc1ccc([C@@H](C(=O)NC2CCN(C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCc3ccccc3C2)cc1 ZINC000049918146 562694500 /nfs/dbraw/zinc/69/45/00/562694500.db2.gz PKTBHWQEGJXUSI-HEVIKAOCSA-N 0 3 580.729 4.666 1 0 KJAFHN COc1ccc([C@H](C(=O)NC2CCN(C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCc3ccccc3C2)cc1 ZINC000049918147 562694504 /nfs/dbraw/zinc/69/45/04/562694504.db2.gz PKTBHWQEGJXUSI-SZAHLOSFSA-N 0 3 580.729 4.666 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4cccs4)N4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049918189 562694613 /nfs/dbraw/zinc/69/46/13/562694613.db2.gz KXKRRBCODZJAMA-XDFJSJKPSA-N 0 3 603.764 4.622 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4cccs4)N4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049918190 562694606 /nfs/dbraw/zinc/69/46/06/562694606.db2.gz KXKRRBCODZJAMA-CDZUIXILSA-N 0 3 603.764 4.622 1 0 KJAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000049918266 562694681 /nfs/dbraw/zinc/69/46/81/562694681.db2.gz OMLUGSYGNDVARF-DEOSSOPVSA-N 0 3 646.652 4.580 1 0 KJAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000049918267 562694657 /nfs/dbraw/zinc/69/46/57/562694657.db2.gz OMLUGSYGNDVARF-XMMPIXPASA-N 0 3 646.652 4.580 1 0 KJAFHN CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccccn3)c2)CC1 ZINC000049918289 562694662 /nfs/dbraw/zinc/69/46/62/562694662.db2.gz NASDVRRIDQOZPA-UHFFFAOYSA-N 0 3 653.647 4.997 1 0 KJAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCC[NH2+]Cc4ccc(C(N)=O)cc4)c3Cl)c2n1 ZINC000049938393 562695232 /nfs/dbraw/zinc/69/52/32/562695232.db2.gz UYHGBSCIOBEZLQ-UHFFFAOYSA-N 0 3 672.635 4.881 1 0 KJAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(c(F)c(F)c(F)c4F)C3=O)CC2)CC1 ZINC000053006829 562696076 /nfs/dbraw/zinc/69/60/76/562696076.db2.gz GFECFRLDYQFMGJ-UHFFFAOYSA-N 0 3 519.539 4.760 1 0 KJAFHN COc1c(C)c(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000053194069 562696428 /nfs/dbraw/zinc/69/64/28/562696428.db2.gz YUXBTAGZCSKZKV-UHFFFAOYSA-N 0 3 532.624 4.531 1 0 KJAFHN Cc1nc(Nc2nccn2-c2cccc(C(=O)NCCCN3CCN(C)CC3)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053230352 562696675 /nfs/dbraw/zinc/69/66/75/562696675.db2.gz AWGZABSXQWMOFO-UHFFFAOYSA-N 0 3 609.657 4.724 1 0 KJAFHN COc1cc(N2CCN(C(C)C)CC2)c(C)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000053287871 562697181 /nfs/dbraw/zinc/69/71/81/562697181.db2.gz YPPPXIZRSIGOKJ-UHFFFAOYSA-N 0 3 532.624 4.531 1 0 KJAFHN COc1cc(CC(=O)NC2(C)CCN(CC[C@H](NC(=O)C3CCCCC3)c3cccc(F)c3)CC2)cc(O)c1OC ZINC000053295881 562697353 /nfs/dbraw/zinc/69/73/53/562697353.db2.gz YMKAQKXPJVJIOE-SANMLTNESA-N 0 3 569.718 4.890 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(c3ccccc3)CCN2)c1 ZINC000055760871 562697764 /nfs/dbraw/zinc/69/77/64/562697764.db2.gz ILLPSQCCZGTEPM-QAXCHELISA-N 0 3 592.731 4.716 1 0 KJAFHN C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N(c2ccc(Cl)cc2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1 ZINC000058468479 562697926 /nfs/dbraw/zinc/69/79/26/562697926.db2.gz FPRUVWLYPRNZSM-IZDARVJKSA-N 0 3 641.234 4.567 1 0 KJAFHN CS(=O)(=O)N(c1ccncc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)c1 ZINC000058468484 562697935 /nfs/dbraw/zinc/69/79/35/562697935.db2.gz SOGVSPVLCXEDPN-URLMMPGGSA-N 0 3 612.674 4.690 1 0 KJAFHN Cc1noc(C)c1S(=O)(=O)N(CC(C)C)[C@H](C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000058482486 562698053 /nfs/dbraw/zinc/69/80/53/562698053.db2.gz OPDNJALSLHMREF-SXOMAYOGSA-N 0 3 538.714 4.633 1 0 KJAFHN O=C(N[C@@H](CCN1C[C@@H]2CN(C(=O)c3ccc(C(F)F)cn3)C[C@@H]2C1)c1cccc(F)c1)C1CCCC1 ZINC000058506544 562698335 /nfs/dbraw/zinc/69/83/35/562698335.db2.gz OGQWZTHJZRMFTA-ZDXQCDESSA-N 0 3 514.592 4.600 1 0 KJAFHN CC(C)[C@@H]1NC(=O)CCCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058507496 562698386 /nfs/dbraw/zinc/69/83/86/562698386.db2.gz WEDYIPBWZKOBFA-ABYKLFLISA-N 0 3 640.910 4.744 1 0 KJAFHN Oc1ccc2c3c1O[C@H]1c4sc5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4 ZINC000058538189 562698767 /nfs/dbraw/zinc/69/87/67/562698767.db2.gz NQNVFVDZFZCYFC-YAUKWVCOSA-N 0 3 678.851 4.558 1 0 KJAFHN C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)NC1CCCCC1 ZINC000058538259 562698847 /nfs/dbraw/zinc/69/88/47/562698847.db2.gz IQTBSLHTGJXWLW-KEPSJGTLSA-N 0 3 528.697 4.559 1 0 KJAFHN O=C(NCCN1CCCC1)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc32)CC1 ZINC000058541367 562698992 /nfs/dbraw/zinc/69/89/92/562698992.db2.gz WODNONNHFKQLKU-UHFFFAOYSA-N 0 3 527.717 4.865 1 0 KJAFHN COc1ccc(-c2cc(C(=O)N3CCN(C4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)CC3)cc(-c3ccc4[nH]ccc4c3)n2)cc1 ZINC000058547751 562699068 /nfs/dbraw/zinc/69/90/68/562699068.db2.gz NEOXRZPYDKSMGX-UHFFFAOYSA-N 0 3 648.808 4.913 1 0 KJAFHN COC(=O)N[C@H](C(=O)N[C@@H](C)CCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000058548194 562699080 /nfs/dbraw/zinc/69/90/80/562699080.db2.gz GUJGFMZRYXDRBN-ZMAXYJRFSA-N 0 3 652.858 4.898 1 0 KJAFHN O=C(Nc1ccccc1)c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058576214 562699659 /nfs/dbraw/zinc/69/96/59/562699659.db2.gz KHDJLVCKAVKZRK-GDLZYMKVSA-N 0 3 521.669 4.623 1 0 KJAFHN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)c1cccc(N2c3ccccc3OS2(=O)=O)c1 ZINC000058581810 562699886 /nfs/dbraw/zinc/69/98/86/562699886.db2.gz IEFNQMINVHIYBY-XTEPFMGCSA-N 0 3 611.642 4.973 1 0 KJAFHN CC(C)NC(=O)Cn1c(=O)c2cc(OCCCN3CCC(C(F)(F)F)CC3)cn2cc1-c1cccc(Cl)c1 ZINC000058581890 562699856 /nfs/dbraw/zinc/69/98/56/562699856.db2.gz JSTQVCWTXLCWJR-UHFFFAOYSA-N 0 3 553.025 4.989 1 0 KJAFHN CC(C)CC1C(=O)N(COC(=O)[C@@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058583440 562700061 /nfs/dbraw/zinc/70/00/61/562700061.db2.gz IAXZWYPEHHZCGO-CUNXSJBXSA-N 0 3 548.661 4.526 1 0 KJAFHN O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(n2c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)CC1 ZINC000058583648 562700160 /nfs/dbraw/zinc/70/01/60/562700160.db2.gz JCMLBHBSAUYDRL-UHFFFAOYSA-N 0 3 544.099 4.975 1 0 KJAFHN CC(C)[C@@H]1NC(=O)/C=C\CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058583863 562700172 /nfs/dbraw/zinc/70/01/72/562700172.db2.gz VANGMTGZZOAFPM-HAILCSHSSA-N 0 3 638.894 4.520 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)cc([C@H](C)NC(C)=O)c1 ZINC000058589828 562700261 /nfs/dbraw/zinc/70/02/61/562700261.db2.gz UGBSEOTXZMYIEQ-MAQUBGAHSA-N 0 3 652.783 4.925 1 0 KJAFHN O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(n2c3ccccc3n(Cc3cccc(Cl)c3)c2=O)CC1 ZINC000058590592 562700298 /nfs/dbraw/zinc/70/02/98/562700298.db2.gz YOMZERRKMCWALK-UHFFFAOYSA-N 0 3 544.099 4.975 1 0 KJAFHN CC(C)NC(=O)Cn1c(=O)c2cc(OCCCN3CC[C@@H](C(F)(F)F)C3)cn2cc1-c1cccc(Cl)c1 ZINC000058592658 562700642 /nfs/dbraw/zinc/70/06/42/562700642.db2.gz PXNZIFGWTMVXEB-LJQANCHMSA-N 0 3 538.998 4.599 1 0 KJAFHN O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(n2c3ccccc3n(Cc3ccccc3Cl)c2=O)CC1 ZINC000058592797 562700668 /nfs/dbraw/zinc/70/06/68/562700668.db2.gz XQUSGRXUDTVJOI-UHFFFAOYSA-N 0 3 544.099 4.975 1 0 KJAFHN CS(=O)(=O)N(c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)c1)c1ccccn1 ZINC000058594138 562700666 /nfs/dbraw/zinc/70/06/66/562700666.db2.gz NLBLQQZAHZCPKB-WUFINQPMSA-N 0 3 612.674 4.690 1 0 KJAFHN C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1 ZINC000058598756 562700731 /nfs/dbraw/zinc/70/07/31/562700731.db2.gz JNYDNVYRYGLEFM-IZDARVJKSA-N 0 3 674.786 4.932 1 0 KJAFHN CS(=O)(=O)N(c1cccnc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)c1 ZINC000058598836 562700727 /nfs/dbraw/zinc/70/07/27/562700727.db2.gz XGQFYIAWNPUACI-URLMMPGGSA-N 0 3 612.674 4.690 1 0 KJAFHN CC(=O)N(c1ccccc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000058603093 562700890 /nfs/dbraw/zinc/70/08/90/562700890.db2.gz ILNUAJPKWXVLNB-JPBRBXQBSA-N 0 3 570.734 4.500 1 0 KJAFHN CCCN1CC[C@@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000058604014 562700963 /nfs/dbraw/zinc/70/09/63/562700963.db2.gz JGMQOJSHZALBEB-SXOMAYOGSA-N 0 3 634.769 4.544 1 0 KJAFHN COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCCN(Cc1cnc[nH]1)[C@H]2c1ccccc1 ZINC000058608964 562701020 /nfs/dbraw/zinc/70/10/20/562701020.db2.gz MPAHEXNEQNYRLC-YZXAJQSBSA-N 0 3 539.562 4.693 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@@H](C(=O)[C@@H]1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000059064118 562701689 /nfs/dbraw/zinc/70/16/89/562701689.db2.gz OOKNMLMKKCDZNI-XBYXKOEXSA-N 0 3 503.687 4.551 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@@H](C(=O)[C@H]1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000059064122 562701678 /nfs/dbraw/zinc/70/16/78/562701678.db2.gz OOKNMLMKKCDZNI-RSPDEVONSA-N 0 3 503.687 4.551 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)cc([C@H](C)O)c1 ZINC000059747267 562702227 /nfs/dbraw/zinc/70/22/27/562702227.db2.gz ZCBJNEMWWSYHRK-IBJFMNDQSA-N 0 3 611.730 4.781 1 0 KJAFHN O=C(Nc1ccccc1)c1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225106 562704395 /nfs/dbraw/zinc/70/43/95/562704395.db2.gz KHDJLVCKAVKZRK-LJAQVGFWSA-N 0 3 521.669 4.623 1 0 KJAFHN COc1cc(-c2csc3c2c(N)ncc3/C=C/C(=O)NCCN(C)C)ccc1NC(=O)c1cc2ccccc2n1C ZINC000063539278 562704471 /nfs/dbraw/zinc/70/44/71/562704471.db2.gz UQNNJYLAPYGZBD-ZRDIBKRKSA-N 0 3 568.703 4.989 1 0 KJAFHN CC(C)CC1C(=O)N(COC(=O)[C@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000064373488 562704844 /nfs/dbraw/zinc/70/48/44/562704844.db2.gz IAXZWYPEHHZCGO-AMGIVPHBSA-N 0 3 548.661 4.526 1 0 KJAFHN CC(C)NC(=O)Cn1c(=O)c2cc(OCCCN3CC[C@H](C(F)(F)F)C3)cn2cc1-c1cccc(Cl)c1 ZINC000064379386 562704931 /nfs/dbraw/zinc/70/49/31/562704931.db2.gz PXNZIFGWTMVXEB-IBGZPJMESA-N 0 3 538.998 4.599 1 0 KJAFHN COc1ccccc1COCCCOc1ccc([C@@H]2[C@@H](OCc3cc4ccccc4c(OC)c3)CNC[C@H]2OC[C@H](O)CO)cc1 ZINC000064446446 562705280 /nfs/dbraw/zinc/70/52/80/562705280.db2.gz QYBJMSXQFYUZHD-ZLWKXDTISA-N 0 3 631.766 4.853 1 0 in-vivo KJAFHN CN(C)c1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064453614 562705633 /nfs/dbraw/zinc/70/56/33/562705633.db2.gz UFZTXENTOJCMRS-GOTSBHOMSA-N 0 3 541.663 4.960 1 0 KJAFHN CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@@H]2O)c(C)c1 ZINC000064503385 562706049 /nfs/dbraw/zinc/70/60/49/562706049.db2.gz YCPVKNYDGKOLNV-LYVYPOQBSA-N 0 3 533.709 4.766 1 0 KJAFHN Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccc(OCCN(C)C)cc2n1-c1ccccc1 ZINC000064512128 562706220 /nfs/dbraw/zinc/70/62/20/562706220.db2.gz KKDOIFGJXXIEDL-UHFFFAOYSA-N 0 3 516.617 4.856 1 0 KJAFHN COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@@H](N)CC4CCCCC4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064526481 562706650 /nfs/dbraw/zinc/70/66/50/562706650.db2.gz YJNLGGSRZLFSLV-QFIPXVFZSA-N 0 3 590.706 4.884 1 0 KJAFHN C[C@@H](c1ccccc1)[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000064527421 562706921 /nfs/dbraw/zinc/70/69/21/562706921.db2.gz BRJWVZQAVMCCBY-WVFSVQOHSA-N 0 3 502.446 4.559 1 0 KJAFHN CC(C)(N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000064527576 562707036 /nfs/dbraw/zinc/70/70/36/562707036.db2.gz ZBQBMPLXVMLWPH-PMACEKPBSA-N 0 3 522.864 4.651 1 0 KJAFHN Cc1ccc2c(cccc2N2CCN(CCc3cccc4c3OCc3c(C(=O)NC5CCCC5)ncn3-4)CC2)n1 ZINC000064527701 562707101 /nfs/dbraw/zinc/70/71/01/562707101.db2.gz NHJGZNMVTILZTQ-UHFFFAOYSA-N 0 3 536.680 4.658 1 0 KJAFHN Cc1ccc2c(cccc2N2CCN(CCc3cccc4c3OCc3c(C(=O)N5CCCCC5)ncn3-4)CC2)n1 ZINC000064527877 562707144 /nfs/dbraw/zinc/70/71/44/562707144.db2.gz CSKHOLSVNNTGRJ-UHFFFAOYSA-N 0 3 536.680 4.612 1 0 KJAFHN [NH3+]CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1 ZINC000064528348 562707299 /nfs/dbraw/zinc/70/72/99/562707299.db2.gz NHGGEGCKADFDDQ-VMPREFPWSA-N 0 3 565.674 4.773 1 0 KJAFHN CC(C)(C)c1c[nH]c([C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)C(C)(C)N)n1 ZINC000064528394 562707313 /nfs/dbraw/zinc/70/73/13/562707313.db2.gz YBTFCKFWPYUXAL-ZEQRLZLVSA-N 0 3 501.675 4.503 1 0 KJAFHN CN(Cc1ccc(C(F)(F)F)c(F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000064528525 562707381 /nfs/dbraw/zinc/70/73/81/562707381.db2.gz FGALSTMIABVZKP-JPYJTQIMSA-N 0 3 611.489 4.748 1 0 KJAFHN CC(C)(N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)(C)c1ccccc1 ZINC000064549472 562708069 /nfs/dbraw/zinc/70/80/69/562708069.db2.gz WDGSYZWWICDLPA-LEWJYISDSA-N 0 3 516.473 4.733 1 0 KJAFHN FC(F)(F)c1ccc(Nc2nc(N3CCNCC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064559308 562708412 /nfs/dbraw/zinc/70/84/12/562708412.db2.gz DHTPCPXEBHJGGR-UHFFFAOYSA-N 0 3 537.512 4.668 1 0 KJAFHN CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@H](C3CC3)C2)c(Cl)c1 ZINC000066066126 562709317 /nfs/dbraw/zinc/70/93/17/562709317.db2.gz BNSISGSQGFUVIN-VWLOTQADSA-N 0 3 534.507 4.842 1 0 KJAFHN CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCC2)CC1 ZINC000066066415 562709383 /nfs/dbraw/zinc/70/93/83/562709383.db2.gz HMEXUNLOTPELNZ-QABMSTFYSA-N 0 3 575.556 4.679 1 0 KJAFHN CC(C)(C)c1ccc(CNC(=O)Nc2cccc(CC[NH2+]C[C@H](O)c3ccc([O-])c4[nH]c(=O)ccc34)c2)cc1 ZINC000066066623 562709489 /nfs/dbraw/zinc/70/94/89/562709489.db2.gz ATRBONUNFPTUTO-MHZLTWQESA-N 0 3 528.653 4.719 1 0 KJAFHN CC(C)(C)c1ccc(CNC(=O)Nc2cccc(CC[NH2+]C[C@@H](O)c3ccc([O-])c4[nH]c(=O)ccc34)c2)cc1 ZINC000066066624 562709476 /nfs/dbraw/zinc/70/94/76/562709476.db2.gz ATRBONUNFPTUTO-HHHXNRCGSA-N 0 3 528.653 4.719 1 0 KJAFHN CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](C(C)C)C2)c(Cl)c1 ZINC000066073770 562709529 /nfs/dbraw/zinc/70/95/29/562709529.db2.gz QQJVZFZRQQUWOC-RUZDIDTESA-N 0 3 518.533 4.949 1 0 KJAFHN O=C(CCN1CCC(c2nc(-c3ncccn3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066074177 562709722 /nfs/dbraw/zinc/70/97/22/562709722.db2.gz ADPCJTCMURXGCB-FQEVSTJZSA-N 0 3 541.443 4.643 1 0 KJAFHN O=C(NCc1c(Cl)cccc1Cl)Nc1cccc(CC[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1 ZINC000066075096 562709954 /nfs/dbraw/zinc/70/99/54/562709954.db2.gz AGRBGRIZVSNPBG-DEOSSOPVSA-N 0 3 541.435 4.728 1 0 KJAFHN O=C(NCc1c(Cl)cccc1Cl)Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1 ZINC000066075098 562709963 /nfs/dbraw/zinc/70/99/63/562709963.db2.gz AGRBGRIZVSNPBG-XMMPIXPASA-N 0 3 541.435 4.728 1 0 KJAFHN CC(=O)Nc1ccc(CN(C[C@@H]2C[C@@H](F)CN2)C(=O)c2ccc(-c3cnc4ccc(NCC5CC5)nn43)cc2)cc1 ZINC000066076880 562710237 /nfs/dbraw/zinc/71/02/37/562710237.db2.gz FQGMOSAPGVHYJC-VPUSJEBWSA-N 0 3 555.658 4.519 1 0 KJAFHN C[C@H]1CN(c2ncc(NC(=O)C3CC3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066077676 562710309 /nfs/dbraw/zinc/71/03/09/562710309.db2.gz KJKLZLSLVMCEOZ-SFHVURJKSA-N 0 3 502.490 4.912 1 0 KJAFHN CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](CC(C)C)C2)c(Cl)c1 ZINC000066079788 562710687 /nfs/dbraw/zinc/71/06/87/562710687.db2.gz OLWIGCQZRLZDLB-DEOSSOPVSA-N 0 3 518.533 4.949 1 0 KJAFHN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)ncc2Cl)c1 ZINC000066099611 562711118 /nfs/dbraw/zinc/71/11/18/562711118.db2.gz PBASYWQZSPYOHZ-UHFFFAOYSA-N 0 3 506.994 4.614 1 0 KJAFHN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2Cl)c1 ZINC000066099613 562711122 /nfs/dbraw/zinc/71/11/22/562711122.db2.gz QPLITSLZRKUXIV-UHFFFAOYSA-N 0 3 537.020 4.623 1 0 KJAFHN O=C(NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2cn1 ZINC000066100649 562711285 /nfs/dbraw/zinc/71/12/85/562711285.db2.gz ONUCNPNYIMMSHV-MGBGTMOVSA-N 0 3 611.831 4.829 1 0 KJAFHN CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000066101368 562711311 /nfs/dbraw/zinc/71/13/11/562711311.db2.gz ZMCJFJZOSKEMOM-BYGVMDBSSA-N 0 3 559.677 4.816 1 0 KJAFHN CN(C)CCN[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1 ZINC000066103399 562711582 /nfs/dbraw/zinc/71/15/82/562711582.db2.gz NUNZNRQUALNNNS-JGMOMGQESA-N 0 3 541.574 4.650 1 0 KJAFHN CN(C)CCN[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1 ZINC000066103403 562711568 /nfs/dbraw/zinc/71/15/68/562711568.db2.gz NUNZNRQUALNNNS-GSJDOASHSA-N 0 3 541.574 4.650 1 0 KJAFHN CN(C)CCN[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1 ZINC000066104783 562711781 /nfs/dbraw/zinc/71/17/81/562711781.db2.gz UJMRXLNDQXEISU-JGMOMGQESA-N 0 3 525.575 4.771 1 0 KJAFHN CN(C)CCN[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1 ZINC000066104785 562711745 /nfs/dbraw/zinc/71/17/45/562711745.db2.gz UJMRXLNDQXEISU-GSJDOASHSA-N 0 3 525.575 4.771 1 0 KJAFHN O=C(CCN1CCC(c2nc(-c3cnccn3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066104998 562711796 /nfs/dbraw/zinc/71/17/96/562711796.db2.gz HAXBNHMNBZSZJB-NRFANRHFSA-N 0 3 541.443 4.643 1 0 KJAFHN CNCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000066112621 562712066 /nfs/dbraw/zinc/71/20/66/562712066.db2.gz CHOXZXLXXUVMGG-OAQYLSRUSA-N 0 3 524.543 4.784 1 0 KJAFHN CC(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066123607 562712524 /nfs/dbraw/zinc/71/25/24/562712524.db2.gz JXSIHKBQOQHZGF-UHFFFAOYSA-N 0 3 507.700 4.929 1 0 KJAFHN CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1)Cc1ccccc1 ZINC000066124317 562712706 /nfs/dbraw/zinc/71/27/06/562712706.db2.gz VLGSSKKQYCWNRX-UHFFFAOYSA-N 0 3 515.679 4.959 1 0 KJAFHN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc(Br)cc3)C(C)C)cc2)cc1 ZINC000066129029 562712849 /nfs/dbraw/zinc/71/28/49/562712849.db2.gz XTGSAFBBNCNNMI-UHFFFAOYSA-N 0 3 574.541 4.577 1 0 KJAFHN CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc(C)cc3)C(C)C)cc2)cc1 ZINC000066136260 562713051 /nfs/dbraw/zinc/71/30/51/562713051.db2.gz VJOPUQOTUQKRCW-UHFFFAOYSA-N 0 3 507.700 4.676 1 0 KJAFHN CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1 ZINC000066136333 562713030 /nfs/dbraw/zinc/71/30/30/562713030.db2.gz FCFUGDBMTVTJEZ-UHFFFAOYSA-N 0 3 544.515 4.568 1 0 KJAFHN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc(Br)cc3)C(C)C)cc2)cc1 ZINC000066136421 562713116 /nfs/dbraw/zinc/71/31/16/562713116.db2.gz WXARHUFBCYJOBN-UHFFFAOYSA-N 0 3 558.542 4.876 1 0 KJAFHN CCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066166483 562714109 /nfs/dbraw/zinc/71/41/09/562714109.db2.gz YJPCOBJYDIPZJZ-UHFFFAOYSA-N 0 3 507.700 4.758 1 0 KJAFHN CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)[C@@H](C)CC)cc2)cc1 ZINC000066166876 562714163 /nfs/dbraw/zinc/71/41/63/562714163.db2.gz ZHBDEKIXYRCUDC-QHCPKHFHSA-N 0 3 507.700 4.758 1 0 KJAFHN CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)[C@H](C)CC)cc2)cc1 ZINC000066166877 562714156 /nfs/dbraw/zinc/71/41/56/562714156.db2.gz ZHBDEKIXYRCUDC-HSZRJFAPSA-N 0 3 507.700 4.758 1 0 KJAFHN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)OCCCN3CCN2CCCC2)ncc1Cl ZINC000066251243 562714434 /nfs/dbraw/zinc/71/44/34/562714434.db2.gz LZTCIQQQJPOCLA-UHFFFAOYSA-N 0 3 540.043 4.801 1 0 KJAFHN CC(C)(C)C(=O)OCOC(=O)c1ccc(CN2CCC(CNC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000066251766 562714554 /nfs/dbraw/zinc/71/45/54/562714554.db2.gz DFKNWIKOHATLBP-UHFFFAOYSA-N 0 3 561.679 4.769 1 0 KJAFHN COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(N5CCOCC5)cc4OC)n3)c(OC)cc2CC1 ZINC000066252806 562714890 /nfs/dbraw/zinc/71/48/90/562714890.db2.gz MKNXBDPSGZZPKP-UHFFFAOYSA-N 0 3 569.106 4.518 1 0 KJAFHN O=C(CNCCCN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066259381 562715234 /nfs/dbraw/zinc/71/52/34/562715234.db2.gz VRRMQFNYBUCFME-UHFFFAOYSA-N 0 3 611.768 4.650 1 0 KJAFHN CN(C)CCN1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066259552 562715302 /nfs/dbraw/zinc/71/53/02/562715302.db2.gz NRZHWWVFFNPRMV-UHFFFAOYSA-N 0 3 608.635 4.942 1 0 KJAFHN CNC(=O)c1cccc(Cl)c1Nc1nc(Nc2ccc3c(c2)CCN(CCOC)CC3)ncc1Cl ZINC000066263802 562715604 /nfs/dbraw/zinc/71/56/04/562715604.db2.gz ISCFWDSEWHMZOJ-UHFFFAOYSA-N 0 3 515.445 4.677 1 0 KJAFHN COc1cc2c(cc1OCCCCN1CCN(CCCCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)CC1)N=C[C@@H]1CCCN1C2=O ZINC000068009466 562715675 /nfs/dbraw/zinc/71/56/75/562715675.db2.gz JBBSKQLFCJZMSB-NSOVKSMOSA-N 0 3 686.854 4.981 1 0 KJAFHN CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000068153268 562715895 /nfs/dbraw/zinc/71/58/95/562715895.db2.gz URGKJLUZLWQADG-UHFFFAOYSA-N 0 3 531.560 4.878 1 0 KJAFHN COCCNc1ncc2ncnc(Nc3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)c2n1 ZINC000068198109 562715867 /nfs/dbraw/zinc/71/58/67/562715867.db2.gz HOGXRCJKMHZPEZ-UHFFFAOYSA-N 0 3 597.646 4.799 1 0 KJAFHN CNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(OCCN(C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000068198111 562715903 /nfs/dbraw/zinc/71/59/03/562715903.db2.gz ABHCUVRKAGUDCI-UHFFFAOYSA-N 0 3 540.550 4.725 1 0 KJAFHN CNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(N(C)CCN(C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000068198114 562715879 /nfs/dbraw/zinc/71/58/79/562715879.db2.gz MZUKLQKRAYOBNG-UHFFFAOYSA-N 0 3 553.593 4.782 1 0 KJAFHN Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5-c5ccccc5C4)CC3)CC2)ccn1 ZINC000068200704 562715934 /nfs/dbraw/zinc/71/59/34/562715934.db2.gz NEPGOHXZJPYLLQ-UHFFFAOYSA-N 0 3 513.661 4.642 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C[C@H](C)O)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000070631561 562716417 /nfs/dbraw/zinc/71/64/17/562716417.db2.gz ZJYJGAFCAQRJNY-GQILQHPNSA-N 0 3 625.757 4.651 1 0 KJAFHN COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000071296844 562717667 /nfs/dbraw/zinc/71/76/67/562717667.db2.gz XSXYFSJDJAYGID-BKMJKUGQSA-N 0 3 545.101 4.602 1 0 KJAFHN COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C ZINC000071316498 562717952 /nfs/dbraw/zinc/71/79/52/562717952.db2.gz KLVMIPGFTQDCHG-HKBQPEDESA-N 0 3 641.278 4.830 1 0 KJAFHN CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3OCCN(C)C)cc2cn1 ZINC000071316640 562717973 /nfs/dbraw/zinc/71/79/73/562717973.db2.gz WKKLKPNLLPOLJN-UHFFFAOYSA-N 0 3 537.970 4.571 1 0 KJAFHN CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CC[NH2+]C[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)ccc1O)C(C)C ZINC000071317567 562718261 /nfs/dbraw/zinc/71/82/61/562718261.db2.gz NZHNIGYHUYTHPF-ZUKKLESISA-N 0 3 583.795 4.976 1 0 KJAFHN COc1cc(C)c(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C ZINC000071317952 562718335 /nfs/dbraw/zinc/71/83/35/562718335.db2.gz RTLIFYHBQGTFTA-HKBQPEDESA-N 0 3 612.881 4.904 1 0 KJAFHN COc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C ZINC000071319037 562718701 /nfs/dbraw/zinc/71/87/01/562718701.db2.gz KLVMIPGFTQDCHG-WJOKGBTCSA-N 0 3 641.278 4.830 1 0 KJAFHN COc1ccc([C@H]2CN(CCC3CCS(=O)(=O)CC3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071329284 562718867 /nfs/dbraw/zinc/71/88/67/562718867.db2.gz CYYAXTCZGPRATM-SQJMNOBHSA-N 0 3 505.080 4.608 1 0 KJAFHN C[C@H]1C=C(CCCCCCC[C@@H](O)CN2CCN(C[C@@H](O)CCCCCCCC3=C[C@H](C)OC3=O)CC2)C(=O)O1 ZINC000071410571 562720138 /nfs/dbraw/zinc/72/01/38/562720138.db2.gz AUNLYYRGYSALHA-RPQLRNILSA-N 0 3 562.792 4.531 1 0 KJAFHN C[C@H]1C=C(CCCCCCC[C@@H](O)CN2CCN(C[C@H](O)CCCCCCCC3=C[C@H](C)OC3=O)CC2)C(=O)O1 ZINC000071410576 562720140 /nfs/dbraw/zinc/72/01/40/562720140.db2.gz AUNLYYRGYSALHA-SRPPIYJJSA-N 0 3 562.792 4.531 1 0 KJAFHN C[C@H]1C=C(CCCCCCC[C@H](O)CN2CCN(C[C@@H](O)CCCCCCCC3=C[C@H](C)OC3=O)CC2)C(=O)O1 ZINC000071410585 562720164 /nfs/dbraw/zinc/72/01/64/562720164.db2.gz AUNLYYRGYSALHA-ATACATFBSA-N 0 3 562.792 4.531 1 0 KJAFHN CNC(=O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N3CCNCC3)cc2)n1 ZINC000072119834 562723924 /nfs/dbraw/zinc/72/39/24/562723924.db2.gz BMXSMQPCDSRIMZ-UHFFFAOYSA-N 0 3 505.544 4.994 1 0 KJAFHN COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl ZINC000072124316 562725013 /nfs/dbraw/zinc/72/50/13/562725013.db2.gz NHAXYOVOGZMIOE-UHFFFAOYSA-N 0 3 560.486 4.960 1 0 KJAFHN CS(=O)(=O)N1CCC(CN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H]2CC[C@]3(c4cccc(CN5CC[C@H](O)C5)c4)C[C@@H]3C2)CC1 ZINC000072132597 562726838 /nfs/dbraw/zinc/72/68/38/562726838.db2.gz HQSKPDKYNHSDCK-XQEAZIIASA-N 0 3 650.673 4.971 1 0 KJAFHN COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072137594 562728348 /nfs/dbraw/zinc/72/83/48/562728348.db2.gz JEOHSRSFZWJSOZ-IARZGTGTSA-N 0 3 504.631 4.573 1 0 KJAFHN COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072137596 562728315 /nfs/dbraw/zinc/72/83/15/562728315.db2.gz JEOHSRSFZWJSOZ-UPRLRBBYSA-N 0 3 504.631 4.573 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCNC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072170874 562730416 /nfs/dbraw/zinc/73/04/16/562730416.db2.gz LAHLLOAHTQMTCY-QFIPXVFZSA-N 0 3 528.561 4.645 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCNC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072170875 562730407 /nfs/dbraw/zinc/73/04/07/562730407.db2.gz LAHLLOAHTQMTCY-JOCHJYFZSA-N 0 3 528.561 4.645 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171746 562730506 /nfs/dbraw/zinc/73/05/06/562730506.db2.gz LZLKHPIODGNLGT-QHCPKHFHSA-N 0 3 542.588 4.953 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171747 562730474 /nfs/dbraw/zinc/73/04/74/562730474.db2.gz LZLKHPIODGNLGT-HSZRJFAPSA-N 0 3 542.588 4.953 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171970 562730576 /nfs/dbraw/zinc/73/05/76/562730576.db2.gz KKIDKAVGGAJLSP-QHCPKHFHSA-N 0 3 512.562 4.945 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171971 562730548 /nfs/dbraw/zinc/73/05/48/562730548.db2.gz KKIDKAVGGAJLSP-HSZRJFAPSA-N 0 3 512.562 4.945 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OCCN(C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172097 562730660 /nfs/dbraw/zinc/73/06/60/562730660.db2.gz DJNFXDVLZICZSZ-UHFFFAOYSA-N 0 3 502.567 4.978 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OCCN(C)C)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172098 562730641 /nfs/dbraw/zinc/73/06/41/562730641.db2.gz MZNPWNKMNUOPFX-UHFFFAOYSA-N 0 3 518.566 4.679 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OCCN(C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172223 562730669 /nfs/dbraw/zinc/73/06/69/562730669.db2.gz NGNLRCPTCKYWPE-UHFFFAOYSA-N 0 3 532.593 4.987 1 0 KJAFHN COc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3)c(=O)oc21 ZINC000072173064 562730751 /nfs/dbraw/zinc/73/07/51/562730751.db2.gz QCXWRBJYWIAELS-UHFFFAOYSA-N 0 3 534.609 4.961 1 0 KJAFHN O=C(NCC1(N2CCC(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072179829 562732427 /nfs/dbraw/zinc/73/24/27/562732427.db2.gz NYTHJBYJEWQHAH-UHFFFAOYSA-N 0 3 506.626 4.921 1 0 KJAFHN COc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)c(=O)oc21 ZINC000072180604 562732566 /nfs/dbraw/zinc/73/25/66/562732566.db2.gz SNEGKIFFYNDHFA-AATRIKPKSA-N 0 3 716.788 4.776 1 0 KJAFHN C[C@H](Oc1cc(-c2cnn(C(C)(C)C(=O)NCCN(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072181272 562732708 /nfs/dbraw/zinc/73/27/08/562732708.db2.gz NJNFJKUWAWYKBY-AWEZNQCLSA-N 0 3 523.440 4.526 1 0 KJAFHN C[C@@H](Oc1cc(-c2cnn(C(C)(C)C(=O)NCCN(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072181273 562732732 /nfs/dbraw/zinc/73/27/32/562732732.db2.gz NJNFJKUWAWYKBY-CQSZACIVSA-N 0 3 523.440 4.526 1 0 KJAFHN Cn1cc(C(=O)N2CCC(N[C@@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)c(C(F)(F)F)n1 ZINC000072185091 562732944 /nfs/dbraw/zinc/73/29/44/562732944.db2.gz ZLURGGQKHDYXJW-FQEVSTJZSA-N 0 3 511.470 4.837 1 0 KJAFHN Cn1cc(C(=O)N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)c(C(F)(F)F)n1 ZINC000072185092 562732955 /nfs/dbraw/zinc/73/29/55/562732955.db2.gz ZLURGGQKHDYXJW-HXUWFJFHSA-N 0 3 511.470 4.837 1 0 KJAFHN CC(C)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1 ZINC000072317573 562733192 /nfs/dbraw/zinc/73/31/92/562733192.db2.gz MVPHPMFJESRQLE-UHFFFAOYSA-N 0 3 541.052 4.816 1 0 KJAFHN CN(C)CCCc1ccc(-c2n[nH]c3ccc(NC(=O)[C@@H](c4ccsc4)N4CCCC4)cc32)cc1S(C)(=O)=O ZINC000072317675 562733201 /nfs/dbraw/zinc/73/32/01/562733201.db2.gz ZAWHKDIJGLEXIH-MUUNZHRXSA-N 0 3 565.765 4.965 1 0 KJAFHN CN(C)CCCc1ccc(-c2n[nH]c3ccc(NC(=O)[C@H](c4ccsc4)N4CCCC4)cc32)cc1S(C)(=O)=O ZINC000072317676 562733208 /nfs/dbraw/zinc/73/32/08/562733208.db2.gz ZAWHKDIJGLEXIH-NDEPHWFRSA-N 0 3 565.765 4.965 1 0 KJAFHN COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1 ZINC000073138851 562733425 /nfs/dbraw/zinc/73/34/25/562733425.db2.gz GZUNLKUPHLSRKX-UHFFFAOYSA-N 0 3 561.130 4.621 1 0 KJAFHN Cc1ccc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c2cccc3F)cn1 ZINC000073139403 562733440 /nfs/dbraw/zinc/73/34/40/562733440.db2.gz LVQKKHWEPPQIMP-XJFCNFDWSA-N 0 3 548.609 4.799 1 0 KJAFHN Cc1cc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c2cccc3F)ccn1 ZINC000073139405 562733434 /nfs/dbraw/zinc/73/34/34/562733434.db2.gz WUJLFXTVWGUSLT-XJFCNFDWSA-N 0 3 548.609 4.799 1 0 KJAFHN Cc1noc(C)c1Cn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c1cccc2F ZINC000073140595 562733688 /nfs/dbraw/zinc/73/36/88/562733688.db2.gz MAUZJOGWTCRKSO-DJUQAAIZSA-N 0 3 552.597 4.700 1 0 KJAFHN O=S(=O)([N-]c1cc(-c2ccc3ncc(NC[C@@H]4CCC[NH2+]C4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073142132 562733757 /nfs/dbraw/zinc/73/37/57/562733757.db2.gz NMRMRRLTZFLVMO-MRXNPFEDSA-N 0 3 527.025 4.697 1 0 KJAFHN O=S(=O)([N-]c1cc(-c2ccc3ncc(NC[C@H]4CCC[NH2+]C4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073142136 562733754 /nfs/dbraw/zinc/73/37/54/562733754.db2.gz NMRMRRLTZFLVMO-INIZCTEOSA-N 0 3 527.025 4.697 1 0 KJAFHN COCCCc1cc(CCCN2CCOCC2)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000073158011 562733915 /nfs/dbraw/zinc/73/39/15/562733915.db2.gz PIBCEYLKROLZIT-SJHOIFEDSA-N 0 3 632.192 4.988 1 0 KJAFHN CCS(=O)(=O)N1CCc2ccc(C(=O)CCCN3CCC(c4ccc(Cl)cc4)CC3)cc2CC1 ZINC000073160318 562734025 /nfs/dbraw/zinc/73/40/25/562734025.db2.gz LOMPVSFLJSMAAD-UHFFFAOYSA-N 0 3 503.108 4.933 1 0 KJAFHN C[N@H+]1CCCN(c2ccc(C(=O)Nc3c([O-])cccc3NC(=O)c3ccc(Br)s3)cc2)CC1 ZINC000073160911 562734103 /nfs/dbraw/zinc/73/41/03/562734103.db2.gz YCUUQZKLXRKPMO-UHFFFAOYSA-N 0 3 529.460 4.863 1 0 KJAFHN C[N@@H+]1CCCN(c2ccc(C(=O)Nc3c([O-])cccc3NC(=O)c3ccc(Br)s3)cc2)CC1 ZINC000073160911 562734102 /nfs/dbraw/zinc/73/41/02/562734102.db2.gz YCUUQZKLXRKPMO-UHFFFAOYSA-N 0 3 529.460 4.863 1 0 KJAFHN O=C([C@H]1CNCC[C@@]12OC(=O)c1cc(F)c(F)cc12)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1 ZINC000073163042 562734223 /nfs/dbraw/zinc/73/42/23/562734223.db2.gz JFLDDEFROOZARM-HXOBKFHXSA-N 0 3 514.878 4.803 1 0 KJAFHN C[N@H+]1CCCN(c2ccc(C(=O)Nc3c([O-])cccc3NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000073164979 562734413 /nfs/dbraw/zinc/73/44/13/562734413.db2.gz QJRVTOAGABTZME-UHFFFAOYSA-N 0 3 523.431 4.801 1 0 KJAFHN C[N@@H+]1CCCN(c2ccc(C(=O)Nc3c([O-])cccc3NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000073164979 562734412 /nfs/dbraw/zinc/73/44/12/562734412.db2.gz QJRVTOAGABTZME-UHFFFAOYSA-N 0 3 523.431 4.801 1 0 KJAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](C(C)C)C2=O)c1 ZINC000073168231 562734678 /nfs/dbraw/zinc/73/46/78/562734678.db2.gz WPFRSKLWUXEGKP-JDIHBLRXSA-N 0 3 607.742 4.657 1 0 KJAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)c1 ZINC000073169128 562734795 /nfs/dbraw/zinc/73/47/95/562734795.db2.gz OAYGVALPPHEIOB-DYIKCSJPSA-N 0 3 549.662 4.644 1 0 KJAFHN COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)cn(CCCOC)c21 ZINC000073195834 562734928 /nfs/dbraw/zinc/73/49/28/562734928.db2.gz AKMRUTYKQUCDPI-GOXGLGGOSA-N 0 3 587.683 4.662 1 0 KJAFHN O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCC(O)CC4)c3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073196260 562735057 /nfs/dbraw/zinc/73/50/57/562735057.db2.gz LGDWBXISXWXDQF-UHFFFAOYSA-N 0 3 512.994 4.851 1 0 KJAFHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc1ccccc1 ZINC000073196269 562735092 /nfs/dbraw/zinc/73/50/92/562735092.db2.gz DWRYETHHZGVOSM-LGAVRUEWSA-N 0 3 608.868 4.535 1 0 KJAFHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc1ccccc1 ZINC000073196270 562735106 /nfs/dbraw/zinc/73/51/06/562735106.db2.gz DWRYETHHZGVOSM-JCGRDUAUSA-N 0 3 608.868 4.535 1 0 KJAFHN O=c1[nH]c2c(s1)c(CC[NH2+]CCc1ccc(CN3CC[C@@H](Oc4ccc(Cl)cc4)C3)cc1)ccc2[O-] ZINC000073197773 562735510 /nfs/dbraw/zinc/73/55/10/562735510.db2.gz YGFPXLTUYOSIJW-XMMPIXPASA-N 0 3 524.086 4.977 1 0 KJAFHN C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCCN(CCOc3ccc4ccccc4c3)C2)C1=O ZINC000073198707 562735838 /nfs/dbraw/zinc/73/58/38/562735838.db2.gz DUDRPMCPFKGSHR-FCHUYYIVSA-N 0 3 500.595 4.687 1 0 KJAFHN C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCCN(CCOc3ccc4ccccc4c3)C2)C1=O ZINC000073198708 562735842 /nfs/dbraw/zinc/73/58/42/562735842.db2.gz DUDRPMCPFKGSHR-VXKWHMMOSA-N 0 3 500.595 4.687 1 0 KJAFHN CCCCNCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000073199283 562735959 /nfs/dbraw/zinc/73/59/59/562735959.db2.gz CNAZIXOIEONRJX-UHFFFAOYSA-N 0 3 590.379 4.618 1 0 KJAFHN C[C@](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)(c1ccncc1)c1ccc(Cl)cc1 ZINC000073222704 562736409 /nfs/dbraw/zinc/73/64/09/562736409.db2.gz CDGPUBQSFXOFCY-MUUNZHRXSA-N 0 3 517.033 4.829 1 0 KJAFHN C[C@@](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)(c1ccncc1)c1ccc(Cl)cc1 ZINC000073222707 562736432 /nfs/dbraw/zinc/73/64/32/562736432.db2.gz CDGPUBQSFXOFCY-NDEPHWFRSA-N 0 3 517.033 4.829 1 0 KJAFHN Cc1cc([C@H](NC(=O)CCN2CCC(c3nc(-c4ccccn4)no3)CC2)c2ccc(Cl)cc2)ccn1 ZINC000073222709 562736426 /nfs/dbraw/zinc/73/64/26/562736426.db2.gz WDVRNXPNGTXYIW-AREMUKBSSA-N 0 3 517.033 4.964 1 0 KJAFHN Cc1cc([C@@H](NC(=O)CCN2CCC(c3nc(-c4ccccn4)no3)CC2)c2ccc(Cl)cc2)ccn1 ZINC000073222710 562736415 /nfs/dbraw/zinc/73/64/15/562736415.db2.gz WDVRNXPNGTXYIW-SANMLTNESA-N 0 3 517.033 4.964 1 0 KJAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000073224887 562736775 /nfs/dbraw/zinc/73/67/75/562736775.db2.gz SSEVPXILORUTJD-VWLOTQADSA-N 0 3 503.006 4.655 1 0 KJAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000073224888 562736758 /nfs/dbraw/zinc/73/67/58/562736758.db2.gz SSEVPXILORUTJD-RUZDIDTESA-N 0 3 503.006 4.655 1 0 KJAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000073224889 562736789 /nfs/dbraw/zinc/73/67/89/562736789.db2.gz GDVDZXKLBLBAPS-VWLOTQADSA-N 0 3 503.006 4.655 1 0 KJAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000073224890 562736770 /nfs/dbraw/zinc/73/67/70/562736770.db2.gz GDVDZXKLBLBAPS-RUZDIDTESA-N 0 3 503.006 4.655 1 0 KJAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000073243013 562737008 /nfs/dbraw/zinc/73/70/08/562737008.db2.gz YGIBVFXPZWEDBG-CTWZREHQSA-N 0 3 530.669 4.612 1 0 KJAFHN CN1CCN(CCCNc2nccc(-c3c4ccc(C(F)(F)F)cn4nc3-c3ccc(F)cc3)n2)CC1 ZINC000073292961 562737541 /nfs/dbraw/zinc/73/75/41/562737541.db2.gz IMHCMZRQPPACMP-UHFFFAOYSA-N 0 3 513.543 4.666 1 0 KJAFHN C[C@@H](Oc1cc(-n2cnc3ccc(OC[C@H](O)CN4CCCC4)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000073295519 562737638 /nfs/dbraw/zinc/73/76/38/562737638.db2.gz VVQWZQWJWMTPJY-QZTJIDSGSA-N 0 3 541.073 4.815 1 0 KJAFHN CN(C[C@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000081969414 562738865 /nfs/dbraw/zinc/73/88/65/562738865.db2.gz VAJOGYQUKHOXAR-YQPGIBNTSA-N 0 3 522.736 4.636 1 0 KJAFHN COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000082137973 562739068 /nfs/dbraw/zinc/73/90/68/562739068.db2.gz YKCXEFNZNYQXHC-ZUKKLESISA-N 0 3 654.220 4.595 1 0 KJAFHN COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000082137978 562739075 /nfs/dbraw/zinc/73/90/75/562739075.db2.gz HVSAPLYLNVBLPG-MYVCOICNSA-N 0 3 646.175 4.515 1 0 KJAFHN C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCCN(CCOc3cccc4ccccc43)C2)C1=O ZINC000082151500 562739970 /nfs/dbraw/zinc/73/99/70/562739970.db2.gz RCNADLONQXEVAR-FGZHOGPDSA-N 0 3 500.595 4.687 1 0 KJAFHN C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCCN(CCOc3cccc4ccccc43)C2)C1=O ZINC000082151502 562739935 /nfs/dbraw/zinc/73/99/35/562739935.db2.gz RCNADLONQXEVAR-YADHBBJMSA-N 0 3 500.595 4.687 1 0 KJAFHN C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCCN(CCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000082155165 562740496 /nfs/dbraw/zinc/74/04/96/562740496.db2.gz PFNXFAJRJKWEML-QZTJIDSGSA-N 0 3 519.425 4.841 1 0 KJAFHN C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCCN(CCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000082155170 562740478 /nfs/dbraw/zinc/74/04/78/562740478.db2.gz PFNXFAJRJKWEML-MSOLQXFVSA-N 0 3 519.425 4.841 1 0 KJAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000082157629 562740965 /nfs/dbraw/zinc/74/09/65/562740965.db2.gz KDGUPYLLLHYBFC-VWLOTQADSA-N 0 3 503.006 4.655 1 0 KJAFHN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000082157631 562740930 /nfs/dbraw/zinc/74/09/30/562740930.db2.gz KDGUPYLLLHYBFC-RUZDIDTESA-N 0 3 503.006 4.655 1 0 KJAFHN Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C4(C(=O)N5CCN(C(=O)CCCC[NH+](C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082178431 562741669 /nfs/dbraw/zinc/74/16/69/562741669.db2.gz MGNFGDKVQKPBQY-UHFFFAOYSA-N 0 3 734.747 4.968 1 0 KJAFHN COC[C@H](C)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2noc(-c3ccccc3CCNC(C)=O)c2Br)cc1 ZINC000084586875 562743455 /nfs/dbraw/zinc/74/34/55/562743455.db2.gz FMQCDKUHURZNPN-AQDMSIBGSA-N 0 3 600.554 4.547 1 0 KJAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCC(CNC(=O)c3ccsc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084587874 562743526 /nfs/dbraw/zinc/74/35/26/562743526.db2.gz GZPMMRIFWPSSHL-UHFFFAOYSA-N 0 3 559.176 4.834 1 0 KJAFHN COc1ccccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 ZINC000084597038 562743882 /nfs/dbraw/zinc/74/38/82/562743882.db2.gz RETQZFVCPCRUGB-WJOKGBTCSA-N 0 3 570.690 4.687 1 0 KJAFHN COc1cccc(Oc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC2CCN(Cc4ccccc4)CC2)C(C)C)CC(=O)N3)c1 ZINC000084597185 562743924 /nfs/dbraw/zinc/74/39/24/562743924.db2.gz JDIQACPMCKGRIX-WJOKGBTCSA-N 0 3 570.690 4.687 1 0 KJAFHN COc1ccc(Oc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC2CCN(Cc4ccccc4)CC2)C(C)C)CC(=O)N3)cc1 ZINC000084597187 562743934 /nfs/dbraw/zinc/74/39/34/562743934.db2.gz QGNAUHRUBJPYAG-WJOKGBTCSA-N 0 3 570.690 4.687 1 0 KJAFHN Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCNC(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc21 ZINC000084604207 562744282 /nfs/dbraw/zinc/74/42/82/562744282.db2.gz KSCRMMICZJKBQC-UHFFFAOYSA-N 0 3 650.872 4.624 1 0 KJAFHN O=C(NCCCNc1c2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2ncc1Br)C1CCC1 ZINC000084615156 562744438 /nfs/dbraw/zinc/74/44/38/562744438.db2.gz HYCRTUWVJJGNKA-UHFFFAOYSA-N 0 3 555.521 4.970 1 0 KJAFHN CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(Cl)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084615220 562744446 /nfs/dbraw/zinc/74/44/46/562744446.db2.gz ARIVBAVKNANYQT-UHFFFAOYSA-N 0 3 576.554 4.803 1 0 KJAFHN CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3)cc2C1=O ZINC000084616923 562744694 /nfs/dbraw/zinc/74/46/94/562744694.db2.gz BWVHXCHDAOGKGE-SSEXGKCCSA-N 0 3 558.654 4.818 1 0 KJAFHN Cc1ccc(Oc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC2CCN(Cc4ccccc4)CC2)C(C)C)CC(=O)N3)cc1 ZINC000084616925 562744684 /nfs/dbraw/zinc/74/46/84/562744684.db2.gz QVEGMCJLEPRERY-WJOKGBTCSA-N 0 3 554.691 4.987 1 0 KJAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C ZINC000084617144 562744756 /nfs/dbraw/zinc/74/47/56/562744756.db2.gz USMGPXSMSPNEMF-DQEYMECFSA-N 0 3 550.666 4.698 1 0 KJAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 ZINC000084617343 562744814 /nfs/dbraw/zinc/74/48/14/562744814.db2.gz TUIOBZDXJNENJB-ZEQRLZLVSA-N 0 3 522.612 4.518 1 0 KJAFHN Cc1ccc2nc(N3CCN[C@H](C)C3)nc(NCc3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084617372 562744861 /nfs/dbraw/zinc/74/48/61/562744861.db2.gz BDMDIJOFUXIRPP-XMMPIXPASA-N 0 3 581.740 4.882 1 0 KJAFHN Cc1ccc2nc(N3CCN[C@@H](C)C3)nc(NCc3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084617374 562744864 /nfs/dbraw/zinc/74/48/64/562744864.db2.gz BDMDIJOFUXIRPP-DEOSSOPVSA-N 0 3 581.740 4.882 1 0 KJAFHN Cc1ccccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 ZINC000084617417 562744926 /nfs/dbraw/zinc/74/49/26/562744926.db2.gz JVPYQWAUFBCKIC-WJOKGBTCSA-N 0 3 554.691 4.987 1 0 KJAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C ZINC000084617770 562744949 /nfs/dbraw/zinc/74/49/49/562744949.db2.gz DNHMKZCXTMRBSW-DQEYMECFSA-N 0 3 594.675 4.835 1 0 KJAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000084619236 562745222 /nfs/dbraw/zinc/74/52/22/562745222.db2.gz DKIKCGFJJHVGPK-VXKWHMMOSA-N 0 3 558.439 4.849 1 0 KJAFHN CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N4CCCC4)n3)cc2)CC1 ZINC000084619385 562745234 /nfs/dbraw/zinc/74/52/34/562745234.db2.gz DCLWKCJKXWHUIN-UHFFFAOYSA-N 0 3 506.054 4.601 1 0 KJAFHN CCCNc1cc(NC(=O)CC(=O)N[C@@H](CNCc2ccc(C)cc2C)[C@@H](O)CCC)cc(C(F)(F)F)c1 ZINC000084634606 562745969 /nfs/dbraw/zinc/74/59/69/562745969.db2.gz UOFYTAHGOBRHBC-DQEYMECFSA-N 0 3 536.639 4.908 1 0 KJAFHN COc1cc(-c2csc3c2c(N)ncc3/C=C\C(=O)NCCN(C)C)ccc1NC(=O)c1cc2ccccc2n1C ZINC000084636156 562746324 /nfs/dbraw/zinc/74/63/24/562746324.db2.gz UQNNJYLAPYGZBD-BENRWUELSA-N 0 3 568.703 4.989 1 0 KJAFHN CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)CN[C@H]1CC2(CC(C)C2)Oc2ncc(CC(C)(C)C)cc21 ZINC000084652134 562746391 /nfs/dbraw/zinc/74/63/91/562746391.db2.gz VGPAVXVDUMLUPB-ZXNQMEOVSA-N 0 3 515.645 4.639 1 0 KJAFHN Cc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNCc1cccc(C(C)C)c1)COC/C=C/C[C@H](c1ccccc1)NC2=O ZINC000084653701 562746949 /nfs/dbraw/zinc/74/69/49/562746949.db2.gz BEGCWPHKTGGGNN-HOQOQLLYSA-N 0 3 555.719 4.815 1 0 in-vitro KJAFHN COc1cc(N2CCC(CC(=O)N3CC[C@@H](N(C)C)C3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084653855 562747012 /nfs/dbraw/zinc/74/70/12/562747012.db2.gz GLEMLZUFCSHGAE-XMMPIXPASA-N 0 3 575.762 4.619 1 0 KJAFHN COc1cc(N2CCC(CC(=O)N3CC[C@H](N(C)C)C3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084653856 562746994 /nfs/dbraw/zinc/74/69/94/562746994.db2.gz GLEMLZUFCSHGAE-DEOSSOPVSA-N 0 3 575.762 4.619 1 0 KJAFHN Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(-c4cc[nH]n4)cc3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084670082 562748147 /nfs/dbraw/zinc/74/81/47/562748147.db2.gz COBUMZLYZWRZDS-UHFFFAOYSA-N 0 3 586.656 4.538 1 0 in-vitro KJAFHN O=C(CN1CCCCC1)Nc1cc2c3cc(NC(=O)CN4CCCCC4)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084670677 562748376 /nfs/dbraw/zinc/74/83/76/562748376.db2.gz SFKZFNONWZZMHR-UHFFFAOYSA-N 0 3 579.709 4.541 1 0 KJAFHN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NC3CCN(C)CC3)oc2c1 ZINC000084687543 562748939 /nfs/dbraw/zinc/74/89/39/562748939.db2.gz OKOGYZXIHINVRK-URLMMPGGSA-N 0 3 634.803 4.787 1 0 KJAFHN N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1cc(F)c(F)cc1F ZINC000084690994 562749759 /nfs/dbraw/zinc/74/97/59/562749759.db2.gz WHSWXRARWQGRHT-JOCHJYFZSA-N 0 3 503.515 4.576 1 0 KJAFHN O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)n[nH]2)cc1)OCc1cccnc1 ZINC000084707033 562750026 /nfs/dbraw/zinc/75/00/26/562750026.db2.gz QSHCYUWYCJJVRK-UHFFFAOYSA-N 0 3 540.624 4.625 1 0 KJAFHN Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ccc(=O)[nH]n1 ZINC000084707979 562750139 /nfs/dbraw/zinc/75/01/39/562750139.db2.gz QIGQORKIIZXLEM-UHFFFAOYSA-N 0 3 520.593 4.561 1 0 KJAFHN Cc1cc(COC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCCC5)cc4)n[nH]3)cc2)no1 ZINC000084710222 562750464 /nfs/dbraw/zinc/75/04/64/562750464.db2.gz JCKZGURUGPXEEO-UHFFFAOYSA-N 0 3 544.612 4.526 1 0 KJAFHN C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1 ZINC000084710364 562750490 /nfs/dbraw/zinc/75/04/90/562750490.db2.gz BJZLZNTUAFMKOC-JOCHJYFZSA-N 0 3 505.684 4.795 1 0 KJAFHN Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(C3CCCCC3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084710681 562750522 /nfs/dbraw/zinc/75/05/22/562750522.db2.gz ZREIKOVBKPAVMW-UHFFFAOYSA-N 0 3 526.641 4.529 1 0 KJAFHN CCOC(=O)c1ccc(CN2CCC(Nc3nc(NC)nc(Nc4c(C)cc(C)cc4C)n3)CC2)cc1 ZINC000084714263 562750952 /nfs/dbraw/zinc/75/09/52/562750952.db2.gz ITMOSFPQCLAWOF-UHFFFAOYSA-N 0 3 503.651 4.835 1 0 KJAFHN COc1cc(N2C(=O)N(c3ccc(-c4ccc5nc[nH]c5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084724087 562751146 /nfs/dbraw/zinc/75/11/46/562751146.db2.gz OLZGEKRJAPMKEB-UHFFFAOYSA-N 0 3 574.645 4.740 1 0 KJAFHN OC[C@@H](Oc1ccccc1)[C@H](NCCn1cnc2c1ncnc2NCc1ccccc1)c1ccc(Cl)cc1 ZINC000084724565 562751169 /nfs/dbraw/zinc/75/11/69/562751169.db2.gz LWLDTPJBSLSUFU-CLJLJLNGSA-N 0 3 529.044 4.863 1 0 KJAFHN OC[C@@H](Oc1ccccc1)[C@H](NCCCn1cnc2c1ncnc2NCc1ccccc1)c1ccccc1 ZINC000084725049 562751223 /nfs/dbraw/zinc/75/12/23/562751223.db2.gz MJPJBFCIPVSXAK-KAYWLYCHSA-N 0 3 508.626 4.599 1 0 KJAFHN Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc4scnc4c3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084725498 562751257 /nfs/dbraw/zinc/75/12/57/562751257.db2.gz GZOBVYAVRWIDTA-UHFFFAOYSA-N 0 3 577.670 4.758 1 0 KJAFHN Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cccc(=O)[nH]1 ZINC000084729116 562751470 /nfs/dbraw/zinc/75/14/70/562751470.db2.gz YZUQNCNVNAULOA-UHFFFAOYSA-N 0 3 519.605 4.753 1 0 KJAFHN C[C@@H](O[C@@H]1CC[C@]2(CN[C@H]1c1ccccc1)NC(=O)NC2=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084757020 562752340 /nfs/dbraw/zinc/75/23/40/562752340.db2.gz ALZWWVZALKALBV-JQJYPRBLSA-N 0 3 515.454 4.873 1 0 in-man KJAFHN C[C@@H](O[C@H]1CC[C@]2(CN[C@H]1c1ccccc1)NC(=O)NC2=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084757021 562752331 /nfs/dbraw/zinc/75/23/31/562752331.db2.gz ALZWWVZALKALBV-IKBCZRQUSA-N 0 3 515.454 4.873 1 0 in-man KJAFHN Cc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNCc1cccc(C(C)C)c1)COC/C=C/C[C@@H](c1ccccc1)NC2=O ZINC000084757844 562752491 /nfs/dbraw/zinc/75/24/91/562752491.db2.gz BEGCWPHKTGGGNN-CKIJMETESA-N 0 3 555.719 4.815 1 0 KJAFHN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(CN3CCCC3)n(C)n(-c3ccccc3)c2=O)nc1 ZINC000084759484 562752947 /nfs/dbraw/zinc/75/29/47/562752947.db2.gz GODJFMYOWZKKJA-UHFFFAOYSA-N 0 3 550.619 4.768 1 0 KJAFHN COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](O)CC2)N13 ZINC000085511863 560073752 /nfs/dbraw/zinc/07/37/52/560073752.db2.gz ACYWTXFPIHCNKG-YLLXSPFNSA-N 0 3 537.653 4.599 1 0 biogenic,in-vitro KJAFHN CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)Cc2ccccc2)c1)CO4 ZINC000085567443 565142417 /nfs/dbraw/zinc/14/24/17/565142417.db2.gz KEXYBUHWCFCLAD-YQJFZSFNSA-N 0 3 684.786 4.977 1 0 biogenic,in-vitro KJAFHN CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OCCCO)c2)CO5)CCCC1 ZINC000085567473 291863458 /nfs/dbraw/zinc/86/34/58/291863458.db2.gz YQJFBOKCKGOZHF-FUNOYIDFSA-N 0 3 648.753 4.821 1 0 biogenic,in-vitro KJAFHN 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/nfs/dbraw/zinc/76/65/77/562766577.db2.gz QOCAHNPJFRPMHQ-ZCCHDVMBSA-N 0 3 509.434 4.731 1 0 KJAFHN CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095568506 562766705 /nfs/dbraw/zinc/76/67/05/562766705.db2.gz LHXFIZLNBSIVPU-GTQRCTGISA-N 0 3 509.434 4.731 1 0 KJAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095568688 562766831 /nfs/dbraw/zinc/76/68/31/562766831.db2.gz GERLECOIYRNVRK-JLELKNTQSA-N 0 3 595.700 4.873 1 0 KJAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095568696 562766866 /nfs/dbraw/zinc/76/68/66/562766866.db2.gz FVVNZJJWPFGARH-IGHHUVOLSA-N 0 3 663.819 4.983 1 0 KJAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(cccc2N(C)C)C1=O ZINC000095568720 562766871 /nfs/dbraw/zinc/76/68/71/562766871.db2.gz KBWKSVZPOQKHGN-SGQNLQFHSA-N 0 3 517.670 4.897 1 0 KJAFHN CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095568834 562766971 /nfs/dbraw/zinc/76/69/71/562766971.db2.gz LHXFIZLNBSIVPU-ZCCHDVMBSA-N 0 3 509.434 4.731 1 0 KJAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568869 562766976 /nfs/dbraw/zinc/76/69/76/562766976.db2.gz YELAEPJECDEDIZ-IHMCZWCLSA-N 0 3 592.202 4.802 1 0 KJAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568869 562766975 /nfs/dbraw/zinc/76/69/75/562766975.db2.gz YELAEPJECDEDIZ-IHMCZWCLSA-N 0 3 592.202 4.802 1 0 KJAFHN COc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)Cc4cn(C)c5ccccc45)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095568878 562766989 /nfs/dbraw/zinc/76/69/89/562766989.db2.gz UZHKXOOVCWPBAC-JCGBMYGUSA-N 0 3 612.771 4.649 1 0 KJAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095568905 562767033 /nfs/dbraw/zinc/76/70/33/562767033.db2.gz WSOKVHLNEBQLTR-HXIALRTDSA-N 0 3 699.874 4.911 1 0 KJAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095569085 562767149 /nfs/dbraw/zinc/76/71/49/562767149.db2.gz WSOKVHLNEBQLTR-XUJRGEPCSA-N 0 3 699.874 4.911 1 0 KJAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095569150 562767208 /nfs/dbraw/zinc/76/72/08/562767208.db2.gz YELAEPJECDEDIZ-SYZUXVNWSA-N 0 3 592.202 4.802 1 0 KJAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095569150 562767207 /nfs/dbraw/zinc/76/72/07/562767207.db2.gz YELAEPJECDEDIZ-SYZUXVNWSA-N 0 3 592.202 4.802 1 0 KJAFHN Cc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095569251 562767288 /nfs/dbraw/zinc/76/72/88/562767288.db2.gz IIJFSNWSECNTDF-XXUFBJKNSA-N 0 3 595.744 5.000 1 0 KJAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569253 562767296 /nfs/dbraw/zinc/76/72/96/562767296.db2.gz ZBPKQJKPBAJGFS-TWUWCHPWSA-N 0 3 623.669 4.997 1 0 KJAFHN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569253 562767295 /nfs/dbraw/zinc/76/72/95/562767295.db2.gz ZBPKQJKPBAJGFS-TWUWCHPWSA-N 0 3 623.669 4.997 1 0 KJAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095569298 562767341 /nfs/dbraw/zinc/76/73/41/562767341.db2.gz KEFKPOALKIRQIF-OUDXUNEISA-N 0 3 570.612 4.705 1 0 KJAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095569528 562767484 /nfs/dbraw/zinc/76/74/84/562767484.db2.gz STJDOMVUESLTTO-QOCGDCEFSA-N 0 3 715.873 4.612 1 0 KJAFHN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095569953 562767804 /nfs/dbraw/zinc/76/78/04/562767804.db2.gz STJDOMVUESLTTO-NNLWJYRWSA-N 0 3 715.873 4.612 1 0 KJAFHN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095569968 562767836 /nfs/dbraw/zinc/76/78/36/562767836.db2.gz HAHWSFSBPOSLGM-FZLAZKPRSA-N 0 3 703.837 4.742 1 0 KJAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095569975 562767839 /nfs/dbraw/zinc/76/78/39/562767839.db2.gz FVVNZJJWPFGARH-QYKOWSPFSA-N 0 3 663.819 4.983 1 0 KJAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095570013 562767858 /nfs/dbraw/zinc/76/78/58/562767858.db2.gz YGIBVFXPZWEDBG-QFWOEDSFSA-N 0 3 530.669 4.612 1 0 KJAFHN CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095570641 562768376 /nfs/dbraw/zinc/76/83/76/562768376.db2.gz LHXFIZLNBSIVPU-KIMHZCHSSA-N 0 3 509.434 4.731 1 0 KJAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095570788 562768482 /nfs/dbraw/zinc/76/84/82/562768482.db2.gz PIYCFRUDBRJOMI-UXVOWUFOSA-N 0 3 685.847 4.603 1 0 KJAFHN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095570788 562768481 /nfs/dbraw/zinc/76/84/81/562768481.db2.gz PIYCFRUDBRJOMI-UXVOWUFOSA-N 0 3 685.847 4.603 1 0 KJAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095571018 562768728 /nfs/dbraw/zinc/76/87/28/562768728.db2.gz AGVDCEUXSGPQDC-XUKQSAIQSA-N 0 3 685.847 4.982 1 0 KJAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095571056 562768751 /nfs/dbraw/zinc/76/87/51/562768751.db2.gz YGIBVFXPZWEDBG-RLPNJSHFSA-N 0 3 530.669 4.612 1 0 KJAFHN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095571183 562768829 /nfs/dbraw/zinc/76/88/29/562768829.db2.gz DGVXOYJWIGFWKL-RHGYRFJNSA-N 0 3 548.606 4.911 1 0 KJAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095571261 562768883 /nfs/dbraw/zinc/76/88/83/562768883.db2.gz WSOKVHLNEBQLTR-IGHHUVOLSA-N 0 3 699.874 4.911 1 0 KJAFHN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571331 562768957 /nfs/dbraw/zinc/76/89/57/562768957.db2.gz HGFXOAFBCBBPMM-YZIHRLCOSA-N 0 3 558.704 4.901 1 0 KJAFHN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095571425 562769038 /nfs/dbraw/zinc/76/90/38/562769038.db2.gz KEFKPOALKIRQIF-KYTVRQNUSA-N 0 3 570.612 4.705 1 0 KJAFHN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095571528 562769135 /nfs/dbraw/zinc/76/91/35/562769135.db2.gz WSOKVHLNEBQLTR-POEUFYPISA-N 0 3 699.874 4.911 1 0 KJAFHN CC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095571896 562769248 /nfs/dbraw/zinc/76/92/48/562769248.db2.gz DOUDLQBZEIQPDX-CCDWMCETSA-N 0 3 500.083 4.768 1 0 KJAFHN COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCC(=O)NC13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095572173 562769360 /nfs/dbraw/zinc/76/93/60/562769360.db2.gz XLKMPUKWYIFXKF-SERRLPLISA-N 0 3 520.714 4.866 1 0 KJAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccc3c(c1)OCO3)NC(=O)c1ccc(F)nc1)CC1(CCC1)O2 ZINC000095572677 562769444 /nfs/dbraw/zinc/76/94/44/562769444.db2.gz GRVRRYKKHIRERQ-KKUQBAQOSA-N 0 3 590.696 4.671 1 0 KJAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccc3c(c1)OCO3)NC(=O)c1cccnc1)CC1(CCC1)O2 ZINC000095572765 562769522 /nfs/dbraw/zinc/76/95/22/562769522.db2.gz DEZCGBNUMKGKRI-GMQQYTKMSA-N 0 3 572.706 4.532 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccc(CN3CCC(N4CCN(C)CC4)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095573374 562769692 /nfs/dbraw/zinc/76/96/92/562769692.db2.gz KOIRZEHURFRWOY-UHFFFAOYSA-N 0 3 658.733 4.997 1 0 KJAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccc3c(c1)OCO3)NC(=O)c1cccnc1F)CC1(CCC1)O2 ZINC000095573499 562769726 /nfs/dbraw/zinc/76/97/26/562769726.db2.gz PJSWLSWWNIITCK-KKUQBAQOSA-N 0 3 590.696 4.671 1 0 KJAFHN C[C@@H](O)C(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095573941 562769857 /nfs/dbraw/zinc/76/98/57/562769857.db2.gz AYUUSOCQIYXYAL-BQRPEJFJSA-N 0 3 578.779 4.599 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccc(CN3CCCN(C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095574018 562769864 /nfs/dbraw/zinc/76/98/64/562769864.db2.gz OHFRVFUEGWQWTA-UHFFFAOYSA-N 0 3 589.626 4.923 1 0 KJAFHN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NCc1cc(F)c(F)c(F)c1)CC2 ZINC000095574457 562769987 /nfs/dbraw/zinc/76/99/87/562769987.db2.gz WECLHXDFTUNXIH-FQEVSTJZSA-N 0 3 501.501 4.943 1 0 KJAFHN COCC(=O)N[C@@H](Cc1cccc(-c2ccccn2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095575177 562770243 /nfs/dbraw/zinc/77/02/43/562770243.db2.gz 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ZINC000096174095 562791655 /nfs/dbraw/zinc/79/16/55/562791655.db2.gz BEENNMRVJKBFIT-UHFFFAOYSA-N 0 3 554.658 4.982 1 0 KJAFHN C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CN(CCN(C)C)C3=O)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258144 562792849 /nfs/dbraw/zinc/79/28/49/562792849.db2.gz OUQDLWYQCJPNNJ-CQSZACIVSA-N 0 3 547.414 4.731 1 0 KJAFHN CN(C)CCNC(=O)c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1 ZINC000096258252 562792823 /nfs/dbraw/zinc/79/28/23/562792823.db2.gz WPOWJOWVTRSEKV-UHFFFAOYSA-N 0 3 614.816 4.976 1 0 KJAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)NCC(C)(C)O)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000096272614 562794094 /nfs/dbraw/zinc/79/40/94/562794094.db2.gz JRYWEKQNCYQQAJ-NKUCUZEISA-N 0 3 536.475 4.770 1 0 KJAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000096272615 562794118 /nfs/dbraw/zinc/79/41/18/562794118.db2.gz YPBSIJVXMPPDCG-IDOSGCAJSA-N 0 3 548.486 4.912 1 0 KJAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000096272616 562794132 /nfs/dbraw/zinc/79/41/32/562794132.db2.gz YPBSIJVXMPPDCG-GPJJJBLTSA-N 0 3 548.486 4.912 1 0 KJAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCn3cc(ccc3=O)C(=O)N1)CC1(CCC1)O2 ZINC000096273400 562794450 /nfs/dbraw/zinc/79/44/50/562794450.db2.gz LKMMYWNVZOCACV-OIFRRMEBSA-N 0 3 584.761 4.516 1 0 KJAFHN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)c1cc(N2CCCC2=O)c(=O)n(C2CCCC2)c1 ZINC000096273413 562794452 /nfs/dbraw/zinc/79/44/52/562794452.db2.gz QKLJNYJRYSKKKP-LMSSTIIKSA-N 0 3 610.677 4.601 1 0 in-vitro KJAFHN CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccc(Cl)cc1 ZINC000096283063 562794772 /nfs/dbraw/zinc/79/47/72/562794772.db2.gz KBQYJISKDVCQOT-XKCSPQBFSA-N 0 3 517.501 4.666 1 0 KJAFHN CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1cccc(Cl)c1 ZINC000096283064 562794767 /nfs/dbraw/zinc/79/47/67/562794767.db2.gz NXDABLYXZOOKHQ-XKCSPQBFSA-N 0 3 517.501 4.666 1 0 KJAFHN Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1NC(=O)[C@@H](N)CCc1ccccc1 ZINC000096283134 562794802 /nfs/dbraw/zinc/79/48/02/562794802.db2.gz CEQZWGIVPRHZJH-NYDCQLBNSA-N 0 3 589.696 4.733 1 0 KJAFHN CCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285029 562795405 /nfs/dbraw/zinc/79/54/05/562795405.db2.gz CSOXYPGEJYPUTB-SBUREZEXSA-N 0 3 524.459 4.573 1 0 KJAFHN CC[C@H](NC)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285031 562795419 /nfs/dbraw/zinc/79/54/19/562795419.db2.gz RYPWTORYCDZTOJ-GOTSBHOMSA-N 0 3 524.459 4.573 1 0 KJAFHN Nc1cc(CN2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(CC5CCCCC5)c4=O)CC3)CC2)ccn1 ZINC000096285290 562795471 /nfs/dbraw/zinc/79/54/71/562795471.db2.gz USFZHGOWALHXMB-UHFFFAOYSA-N 0 3 548.707 4.575 1 0 KJAFHN Nc1cc(CN2CCC(C(=O)N3CCC(n4c5ccccc5n(Cc5ccc(Cl)cc5)c4=O)CC3)CC2)ccn1 ZINC000096285306 562795494 /nfs/dbraw/zinc/79/54/94/562795494.db2.gz ZWVIFSPZUJVHGF-UHFFFAOYSA-N 0 3 559.114 4.558 1 0 KJAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285347 562795518 /nfs/dbraw/zinc/79/55/18/562795518.db2.gz PXIOXDVBYCVQHK-AMGIVPHBSA-N 0 3 568.162 4.983 1 0 KJAFHN Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285348 562795554 /nfs/dbraw/zinc/79/55/54/562795554.db2.gz PXIOXDVBYCVQHK-CUNXSJBXSA-N 0 3 568.162 4.983 1 0 KJAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285379 562795603 /nfs/dbraw/zinc/79/56/03/562795603.db2.gz BJXRNPXUTJVEQG-DWACAAAGSA-N 0 3 532.733 4.878 1 0 KJAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000096285392 562795613 /nfs/dbraw/zinc/79/56/13/562795613.db2.gz BJXRNPXUTJVEQG-SKCUWOTOSA-N 0 3 532.733 4.878 1 0 KJAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000096285422 562795631 /nfs/dbraw/zinc/79/56/31/562795631.db2.gz BJXRNPXUTJVEQG-RBISFHTESA-N 0 3 532.733 4.878 1 0 KJAFHN COC(=O)c1cccc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285435 562795703 /nfs/dbraw/zinc/79/57/03/562795703.db2.gz SLEWUPBUEBQZJK-MNNSJKJDSA-N 0 3 590.769 4.664 1 0 KJAFHN COC(=O)c1cccc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285436 562795725 /nfs/dbraw/zinc/79/57/25/562795725.db2.gz SLEWUPBUEBQZJK-ZTOMLWHTSA-N 0 3 590.769 4.664 1 0 KJAFHN COC(=O)c1cccc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285437 562795689 /nfs/dbraw/zinc/79/56/89/562795689.db2.gz SLEWUPBUEBQZJK-KPURRNSFSA-N 0 3 590.769 4.664 1 0 KJAFHN COC(=O)c1cccc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285438 562795701 /nfs/dbraw/zinc/79/57/01/562795701.db2.gz SLEWUPBUEBQZJK-PZGXJGMVSA-N 0 3 590.769 4.664 1 0 KJAFHN Cc1cccc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 ZINC000096285447 562795715 /nfs/dbraw/zinc/79/57/15/562795715.db2.gz RTYGTGBSHLMYRK-DWACAAAGSA-N 0 3 547.748 4.581 1 0 KJAFHN Cc1cccc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 ZINC000096285448 562795729 /nfs/dbraw/zinc/79/57/29/562795729.db2.gz RTYGTGBSHLMYRK-RBISFHTESA-N 0 3 547.748 4.581 1 0 KJAFHN Cc1cccc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 ZINC000096285449 562795713 /nfs/dbraw/zinc/79/57/13/562795713.db2.gz RTYGTGBSHLMYRK-DFHRPNOPSA-N 0 3 547.748 4.581 1 0 KJAFHN Cc1cccc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 ZINC000096285450 562795731 /nfs/dbraw/zinc/79/57/31/562795731.db2.gz RTYGTGBSHLMYRK-SKCUWOTOSA-N 0 3 547.748 4.581 1 0 KJAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285454 562795683 /nfs/dbraw/zinc/79/56/83/562795683.db2.gz MSLNBTSKWRGVMU-IBVKSMDESA-N 0 3 538.762 4.939 1 0 KJAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285455 562795677 /nfs/dbraw/zinc/79/56/77/562795677.db2.gz MSLNBTSKWRGVMU-FNZWTVRRSA-N 0 3 538.762 4.939 1 0 KJAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285456 562795733 /nfs/dbraw/zinc/79/57/33/562795733.db2.gz MSLNBTSKWRGVMU-FQRUVTKNSA-N 0 3 538.762 4.939 1 0 KJAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285457 562795717 /nfs/dbraw/zinc/79/57/17/562795717.db2.gz MSLNBTSKWRGVMU-RXFWQSSRSA-N 0 3 538.762 4.939 1 0 KJAFHN CCN1C[C@@H](c2ccccc2)N(C2CCN([C@@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285466 562795766 /nfs/dbraw/zinc/79/57/66/562795766.db2.gz KADVKYIYVIUTGN-RDPSFJRHSA-N 0 3 512.098 4.823 1 0 KJAFHN CCN1C[C@@H](c2ccccc2)N(C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285467 562795745 /nfs/dbraw/zinc/79/57/45/562795745.db2.gz KADVKYIYVIUTGN-YKSBVNFPSA-N 0 3 512.098 4.823 1 0 KJAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285468 562795740 /nfs/dbraw/zinc/79/57/40/562795740.db2.gz BJXRNPXUTJVEQG-DFHRPNOPSA-N 0 3 532.733 4.878 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285530 562795815 /nfs/dbraw/zinc/79/58/15/562795815.db2.gz RBYCERGIKPUFHO-CYFREDJKSA-N 0 3 595.538 4.630 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)o2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285538 562795866 /nfs/dbraw/zinc/79/58/66/562795866.db2.gz DFEWVWLUJFZIAY-CYFREDJKSA-N 0 3 619.516 4.799 1 0 KJAFHN CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285541 562795878 /nfs/dbraw/zinc/79/58/78/562795878.db2.gz VEPLHDWLOOVFAN-FNZWTVRRSA-N 0 3 615.528 4.897 1 0 KJAFHN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286090 562796064 /nfs/dbraw/zinc/79/60/64/562796064.db2.gz VXMMMOKTWYIDBX-KRWDZBQOSA-N 0 3 576.682 4.999 1 0 KJAFHN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286091 562796070 /nfs/dbraw/zinc/79/60/70/562796070.db2.gz VXMMMOKTWYIDBX-QGZVFWFLSA-N 0 3 576.682 4.999 1 0 KJAFHN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286092 562796038 /nfs/dbraw/zinc/79/60/38/562796038.db2.gz OPUZXJHPAUTJQZ-INIZCTEOSA-N 0 3 562.655 4.609 1 0 KJAFHN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286093 562796058 /nfs/dbraw/zinc/79/60/58/562796058.db2.gz OPUZXJHPAUTJQZ-MRXNPFEDSA-N 0 3 562.655 4.609 1 0 KJAFHN CCCN(CCC)C(=O)c1cc(C[C@H](COC)OC)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000096307597 562796435 /nfs/dbraw/zinc/79/64/35/562796435.db2.gz KYMQDOPUMYXEES-GVBYMILNSA-N 0 3 669.810 4.931 1 0 KJAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1cc(-c2ccccc2)cs1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000096891828 562796684 /nfs/dbraw/zinc/79/66/84/562796684.db2.gz UASPTBCYXXUKNJ-ITSNWGLTSA-N 0 3 752.982 4.821 1 0 KJAFHN CC(=O)O[C@]12Cc3c4c([nH]c3[C@@H]3Oc5c6c(ccc5O)C[C@H]1N(CC1CC1)CC[C@]632)[C@@H]1Oc2c3c(ccc2O)C[C@H]2N(CC5CC5)CC[C@]31[C@@]2(OC(C)=O)C4 ZINC000096900295 562796790 /nfs/dbraw/zinc/79/67/90/562796790.db2.gz BQTOPTJFSMCLPE-CTHHFRLWSA-N 0 3 745.873 4.966 1 0 KJAFHN C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCCN(CCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000096900916 562796986 /nfs/dbraw/zinc/79/69/86/562796986.db2.gz PFNXFAJRJKWEML-ZWKOTPCHSA-N 0 3 519.425 4.841 1 0 KJAFHN C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCCN(CCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000096900917 562796982 /nfs/dbraw/zinc/79/69/82/562796982.db2.gz PFNXFAJRJKWEML-ROUUACIJSA-N 0 3 519.425 4.841 1 0 KJAFHN CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000096915684 562801038 /nfs/dbraw/zinc/80/10/38/562801038.db2.gz MHBDWTHQHCQLOW-HPSGNIKNSA-N 0 3 666.867 4.534 1 0 KJAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(ccc3=O)C(=O)N1)CC1(CCC1)O2 ZINC000096915718 562801084 /nfs/dbraw/zinc/80/10/84/562801084.db2.gz BLWNAMGVEGTJBM-RWSKJCERSA-N 0 3 598.788 4.906 1 0 KJAFHN CCc1ccc(C(=O)NC2(C(=O)NCCNC(=O)Cc3cccc4ccccc43)CCN(Cc3ccccc3)CC2)cc1 ZINC000096921951 562801631 /nfs/dbraw/zinc/80/16/31/562801631.db2.gz CKLIVOSSPOQROO-UHFFFAOYSA-N 0 3 576.741 4.642 1 0 KJAFHN CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2C1 ZINC000096923590 562802129 /nfs/dbraw/zinc/80/21/29/562802129.db2.gz NFQNUWPIIZWIKT-SSEXGKCCSA-N 0 3 562.780 4.888 1 0 KJAFHN CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2C1 ZINC000096923590 562802128 /nfs/dbraw/zinc/80/21/28/562802128.db2.gz NFQNUWPIIZWIKT-SSEXGKCCSA-N 0 3 562.780 4.888 1 0 KJAFHN CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2C1 ZINC000096923591 562802154 /nfs/dbraw/zinc/80/21/54/562802154.db2.gz NFQNUWPIIZWIKT-PMERELPUSA-N 0 3 562.780 4.888 1 0 KJAFHN CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2C1 ZINC000096923591 562802153 /nfs/dbraw/zinc/80/21/53/562802153.db2.gz NFQNUWPIIZWIKT-PMERELPUSA-N 0 3 562.780 4.888 1 0 KJAFHN CCOc1cc(N)c(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)/C=C/CN(C)C ZINC000096928304 562802874 /nfs/dbraw/zinc/80/28/74/562802874.db2.gz CRHHOHXNIKMBPH-VQHVLOKHSA-N 0 3 524.021 4.604 1 0 KJAFHN COc1cc2c(cc1OC)[C@H](N1CCC(n3c4ccc(Cl)cc4n(CCCN(C)C)c3=O)CC1)CC2 ZINC000096933807 562803684 /nfs/dbraw/zinc/80/36/84/562803684.db2.gz PILOHDIELWEPCC-HSZRJFAPSA-N 0 3 513.082 4.750 1 0 KJAFHN COc1cc2c(cc1OC)[C@@H](N1CCC(n3c4ccc(Cl)cc4n(CCCN(C)C)c3=O)CC1)CC2 ZINC000096933808 562803721 /nfs/dbraw/zinc/80/37/21/562803721.db2.gz PILOHDIELWEPCC-QHCPKHFHSA-N 0 3 513.082 4.750 1 0 KJAFHN Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)cc3)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1 ZINC000098185598 562805930 /nfs/dbraw/zinc/80/59/30/562805930.db2.gz WKKIKHRMGFBKCB-UHFFFAOYSA-N 0 3 516.686 4.574 1 0 KJAFHN CCN(c1cc(-c2ccc(CN(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000098185916 562805901 /nfs/dbraw/zinc/80/59/01/562805901.db2.gz GOSXYECOBNMEHU-UHFFFAOYSA-N 0 3 530.713 4.964 1 0 KJAFHN COc1ccccc1N1CCN(c2n[nH]c(N3CCN(c4ccccc4OC)CC3)c3c4ccccc4nc2-3)CC1 ZINC000100863638 562808284 /nfs/dbraw/zinc/80/82/84/562808284.db2.gz KAJOPMXEHRNLDZ-UHFFFAOYSA-N 0 3 549.679 4.733 1 0 KJAFHN Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@H]2C[C@H]3CN(CCC(F)(F)F)C[C@H]3C2)c1 ZINC000101322154 562810302 /nfs/dbraw/zinc/81/03/02/562810302.db2.gz ZHIFBXYCMMXVQR-BCDXTJNWSA-N 0 3 504.475 4.624 1 0 KJAFHN CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CCN(C)C)C(C)=O)cc1)c1ccccc1 ZINC000101372829 562810416 /nfs/dbraw/zinc/81/04/16/562810416.db2.gz PXKXNBMBKGONPB-ZIADKAODSA-N 0 3 525.653 4.626 1 0 KJAFHN C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCCN(CCOc3cccc4ccccc43)C2)C1=O ZINC000101645049 562811545 /nfs/dbraw/zinc/81/15/45/562811545.db2.gz RCNADLONQXEVAR-FCHUYYIVSA-N 0 3 500.595 4.687 1 0 KJAFHN 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O=c1c(-c2nnc(COc3ccc4ccccc4c3)o2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12 ZINC000103289869 562824068 /nfs/dbraw/zinc/82/40/68/562824068.db2.gz XIMCCVIFHAJKLS-UHFFFAOYSA-N 0 3 511.557 4.667 1 0 KJAFHN O=c1c(-c2nnc(COc3cccc4ccccc43)o2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12 ZINC000103289872 562824073 /nfs/dbraw/zinc/82/40/73/562824073.db2.gz LKTAGDFXYVLORH-UHFFFAOYSA-N 0 3 511.557 4.667 1 0 KJAFHN CC(C)(C)c1ccc(-c2ncc(C[C@H](NC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)C(=O)NCc3ccccc3)[nH]2)cc1 ZINC000103298033 562824700 /nfs/dbraw/zinc/82/47/00/562824700.db2.gz ZUSWYIUHWMSXCN-JDXGNMNLSA-N 0 3 562.718 4.769 1 0 KJAFHN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(-c2cccc3ccccc32)[nH]1)C(=O)NCc1ccccc1 ZINC000103298037 562824733 /nfs/dbraw/zinc/82/47/33/562824733.db2.gz DQMRTPSVQNPZEU-SMCANUKXSA-N 0 3 556.670 4.625 1 0 KJAFHN C[C@H]1/C(=C\OC(=O)CCN(C)C)CC[C@H]2[C@H]1C(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@@]12C ZINC000103579125 291877454 /nfs/dbraw/zinc/87/74/54/291877454.db2.gz XWTLZPWVWWXKPC-RKOCCLAZSA-N 0 3 505.696 4.516 1 0 biogenic,in-vitro KJAFHN CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCCCOC)c(C(C)C)cc2F)C2CC2)C1 ZINC000113098925 562826230 /nfs/dbraw/zinc/82/62/30/562826230.db2.gz JLQIFJGNKYLVFX-RBZQAINGSA-N 0 3 563.755 4.653 1 0 KJAFHN Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O ZINC000113254244 562826413 /nfs/dbraw/zinc/82/64/13/562826413.db2.gz ADIGCBHSQFHVRD-UHFFFAOYSA-N 0 3 529.670 4.650 1 0 KJAFHN CC[C@@H](C)CN1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1 ZINC000113526530 562826616 /nfs/dbraw/zinc/82/66/16/562826616.db2.gz WFCLNWRQLIWVHI-HXUWFJFHSA-N 0 3 504.683 4.555 1 0 KJAFHN CC[C@H](C)CN1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1 ZINC000113526533 562826598 /nfs/dbraw/zinc/82/65/98/562826598.db2.gz WFCLNWRQLIWVHI-FQEVSTJZSA-N 0 3 504.683 4.555 1 0 KJAFHN CC(C)CCCN1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1 ZINC000113528596 562826627 /nfs/dbraw/zinc/82/66/27/562826627.db2.gz BJCUXTCYGYAAED-UHFFFAOYSA-N 0 3 518.710 4.945 1 0 KJAFHN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114038280 562827330 /nfs/dbraw/zinc/82/73/30/562827330.db2.gz UGQSPIQXOULGOY-UHFFFAOYSA-N 0 3 531.016 4.805 1 0 KJAFHN COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(N4CCC(C[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1[O-] ZINC000114038565 562827380 /nfs/dbraw/zinc/82/73/80/562827380.db2.gz WEDYMYZNSSBYLM-UHFFFAOYSA-N 0 3 530.090 4.985 1 0 KJAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2c1OCCO2 ZINC000114097453 562827540 /nfs/dbraw/zinc/82/75/40/562827540.db2.gz PSSUXZBAUXNRCF-IBGZPJMESA-N 0 3 503.039 4.683 1 0 KJAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2c1OCCO2 ZINC000114097455 562827542 /nfs/dbraw/zinc/82/75/42/562827542.db2.gz PSSUXZBAUXNRCF-LJQANCHMSA-N 0 3 503.039 4.683 1 0 KJAFHN COc1ccc(N)cc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099188 562827627 /nfs/dbraw/zinc/82/76/27/562827627.db2.gz GQZFIKHEEPTODT-HXUWFJFHSA-N 0 3 502.055 4.599 1 0 KJAFHN COc1ccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)cc1N ZINC000114099294 562827640 /nfs/dbraw/zinc/82/76/40/562827640.db2.gz INEKIPYGISNQMW-OAQYLSRUSA-N 0 3 502.055 4.599 1 0 KJAFHN CC(=O)Oc1cccc(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000114099889 562827737 /nfs/dbraw/zinc/82/77/37/562827737.db2.gz BBLQMLLCKXKXIF-IBGZPJMESA-N 0 3 503.039 4.837 1 0 KJAFHN CC(=O)Oc1cccc(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000114099891 562827681 /nfs/dbraw/zinc/82/76/81/562827681.db2.gz BBLQMLLCKXKXIF-LJQANCHMSA-N 0 3 503.039 4.837 1 0 KJAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000114100164 562827735 /nfs/dbraw/zinc/82/77/35/562827735.db2.gz VVUZVKZRRVISEK-JOCHJYFZSA-N 0 3 515.050 4.779 1 0 KJAFHN COc1c(N)cccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114101053 562827814 /nfs/dbraw/zinc/82/78/14/562827814.db2.gz JVDXUEPTJGMQMQ-OAQYLSRUSA-N 0 3 502.055 4.599 1 0 KJAFHN CC1(C)c2[nH]nc(NC(=O)c3cccc(F)c3F)c2CN1C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000114183683 562827854 /nfs/dbraw/zinc/82/78/54/562827854.db2.gz YTDCATVZXIFGNQ-PMACEKPBSA-N 0 3 534.611 4.502 1 0 KJAFHN CC1(C)c2[nH]nc(NC(=O)c3ccc4ccccc4n3)c2CN1C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000114184357 562827944 /nfs/dbraw/zinc/82/79/44/562827944.db2.gz OLNSPGVULRENNA-ZEQRLZLVSA-N 0 3 549.679 4.772 1 0 KJAFHN CC1(C)c2[nH]nc(NC(=O)c3ccccc3Cl)c2CN1C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000114198876 562827930 /nfs/dbraw/zinc/82/79/30/562827930.db2.gz WMNCOCLPIGSQDC-SFTDATJTSA-N 0 3 533.076 4.877 1 0 KJAFHN NC(=O)c1cccc2c(N[C@@H](CCN3CCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12 ZINC000114345751 562827987 /nfs/dbraw/zinc/82/79/87/562827987.db2.gz KRUKDVBCEQTOCL-DEOSSOPVSA-N 0 3 559.468 4.993 1 0 KJAFHN NC(=O)c1cccc2c(N[C@H](CCN3CCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12 ZINC000114345754 562827981 /nfs/dbraw/zinc/82/79/81/562827981.db2.gz KRUKDVBCEQTOCL-XMMPIXPASA-N 0 3 559.468 4.993 1 0 KJAFHN CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000114346075 562828031 /nfs/dbraw/zinc/82/80/31/562828031.db2.gz DHEDUDJQNPBXHX-JOCHJYFZSA-N 0 3 540.521 4.854 1 0 KJAFHN CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000114346077 562828014 /nfs/dbraw/zinc/82/80/14/562828014.db2.gz DHEDUDJQNPBXHX-QFIPXVFZSA-N 0 3 540.521 4.854 1 0 KJAFHN CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000114349589 562828104 /nfs/dbraw/zinc/82/81/04/562828104.db2.gz RXAZPQCDGXHCAO-JOCHJYFZSA-N 0 3 522.531 4.715 1 0 KJAFHN CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000114349591 562828118 /nfs/dbraw/zinc/82/81/18/562828118.db2.gz RXAZPQCDGXHCAO-QFIPXVFZSA-N 0 3 522.531 4.715 1 0 KJAFHN O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc32)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000114600619 562828411 /nfs/dbraw/zinc/82/84/11/562828411.db2.gz KQKAKONSXJYMCD-UHFFFAOYSA-N 0 3 515.529 4.804 1 0 KJAFHN O=S(=O)(NCCOc1cc2c(cc1F)CCN[C@H]2C1(c2ccc(Cl)cc2)CCC1)c1cccnc1 ZINC000114978131 562828525 /nfs/dbraw/zinc/82/85/25/562828525.db2.gz FSMLMGRCZLNPAQ-RUZDIDTESA-N 0 3 516.038 4.540 1 0 KJAFHN O=S(=O)(NCCOc1cc2c(cc1F)CCN[C@@H]2C1(c2ccc(Cl)cc2)CCC1)c1cccnc1 ZINC000114978133 562828553 /nfs/dbraw/zinc/82/85/53/562828553.db2.gz FSMLMGRCZLNPAQ-VWLOTQADSA-N 0 3 516.038 4.540 1 0 KJAFHN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCC2 ZINC000114980783 562828639 /nfs/dbraw/zinc/82/86/39/562828639.db2.gz KQSLWPJABCHYCB-SANMLTNESA-N 0 3 549.520 4.825 1 0 KJAFHN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCC2 ZINC000114980785 562828658 /nfs/dbraw/zinc/82/86/58/562828658.db2.gz KQSLWPJABCHYCB-AREMUKBSSA-N 0 3 549.520 4.825 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000115954004 562829091 /nfs/dbraw/zinc/82/90/91/562829091.db2.gz UBVPWLAGRJRZEM-UHFFFAOYSA-N 0 3 571.465 4.738 1 0 KJAFHN Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)n(C)n2)cccc1N1Cc2c3ccccc3sc2C1=O ZINC000116053485 562829141 /nfs/dbraw/zinc/82/91/41/562829141.db2.gz NTMSULOAXTVULJ-UHFFFAOYSA-N 0 3 537.649 4.516 1 0 KJAFHN CN(C)CCOc1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CCCC6)c3CO)cn(C)c2=O)nc1 ZINC000116053568 562829160 /nfs/dbraw/zinc/82/91/60/562829160.db2.gz VGWRBQGBGNZXBN-UHFFFAOYSA-N 0 3 617.747 4.906 1 0 KJAFHN CCN1CCc2nc(Nc3cc(-c4cc(F)cc(N5CCn6c(cc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)ccc2C1 ZINC000116054102 562829201 /nfs/dbraw/zinc/82/92/01/562829201.db2.gz KTGMMFLAIOPELV-UHFFFAOYSA-N 0 3 610.734 4.787 1 0 KJAFHN CN(C)CCN(C)c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CCCC6)c3CO)cn(C)c2=O)nc1 ZINC000116056079 562829222 /nfs/dbraw/zinc/82/92/22/562829222.db2.gz AVYNODKMZICTSV-UHFFFAOYSA-N 0 3 630.790 4.963 1 0 KJAFHN COc1cc2nc(-c3cccc(NC(=O)CN4CCOCC4)c3)nc(Nc3ccc4n[nH]cc4c3)c2cc1OCCN1CCCC1 ZINC000116940506 562829592 /nfs/dbraw/zinc/82/95/92/562829592.db2.gz RYOMMGAHCJKUDG-UHFFFAOYSA-N 0 3 622.730 4.671 1 0 KJAFHN CCn1c(N2CCNCC2)nc2c1c(Br)c(Br)c(Br)c2Br ZINC000117020148 562829632 /nfs/dbraw/zinc/82/96/32/562829632.db2.gz ZJDQEINEBXEPQG-UHFFFAOYSA-N 0 3 545.899 4.516 1 0 KJAFHN Cc1nn(-c2ncccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000117174092 562829676 /nfs/dbraw/zinc/82/96/76/562829676.db2.gz SFDJJTZAEMARIW-UHFFFAOYSA-N 0 3 508.038 4.966 1 0 KJAFHN Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CCN(C(C)C)CC4)ccn32)n1 ZINC000117880580 562829898 /nfs/dbraw/zinc/82/98/98/562829898.db2.gz AXUOVBRFGFHGLX-UHFFFAOYSA-N 0 3 592.748 4.970 1 0 KJAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCCC5)ccn43)c12 ZINC000117884199 562829988 /nfs/dbraw/zinc/82/99/88/562829988.db2.gz PSQSEWPZOZBFIN-UHFFFAOYSA-N 0 3 523.641 4.725 1 0 KJAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC5CCN(C)CC5)ccn43)c12 ZINC000117884570 562829990 /nfs/dbraw/zinc/82/99/90/562829990.db2.gz LBUFCKYOYWAFIF-UHFFFAOYSA-N 0 3 523.641 4.723 1 0 KJAFHN CC(C)N1CCN(CCOc2ccn3c(c2)ncc3C(=O)Nc2cccc3c2c(C2CC2)nn3Cc2ccc(F)cn2)CC1 ZINC000117884962 562829971 /nfs/dbraw/zinc/82/99/71/562829971.db2.gz NTZVRCYXIKJXKJ-UHFFFAOYSA-N 0 3 596.711 4.801 1 0 KJAFHN Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CCC4)ccn32)n1 ZINC000117889520 562829955 /nfs/dbraw/zinc/82/99/55/562829955.db2.gz QTMXTKJOEMDYEF-UHFFFAOYSA-N 0 3 521.625 4.650 1 0 KJAFHN CCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5ccc(CN(C)C)o5)ccn43)c12 ZINC000117891891 562830021 /nfs/dbraw/zinc/83/00/21/562830021.db2.gz HUKITRXOTUDTJK-UHFFFAOYSA-N 0 3 536.640 4.911 1 0 KJAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C(C)C)CC5)ccn43)c12 ZINC000117893205 562830054 /nfs/dbraw/zinc/83/00/54/562830054.db2.gz AHOPDFDFRKFFHI-UHFFFAOYSA-N 0 3 580.737 4.655 1 0 KJAFHN Cc1c(N2CCOC(C)(C)C2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118096009 562830155 /nfs/dbraw/zinc/83/01/55/562830155.db2.gz BVXODVFVCMIQBS-UHFFFAOYSA-N 0 3 565.665 4.868 1 0 KJAFHN COc1ccc(CC(=O)N2CCC3(CN([C@@H]4CCc5cc(-c6cc(C)ncn6)ccc54)C3)CC2)c(NC(C)=O)c1 ZINC000118900087 562830794 /nfs/dbraw/zinc/83/07/94/562830794.db2.gz HHYDZKYZQXBCPD-SSEXGKCCSA-N 0 3 539.680 4.573 1 0 KJAFHN CC(C)(C)OC(=O)NCCC(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000118906466 562830801 /nfs/dbraw/zinc/83/08/01/562830801.db2.gz ZAEIRASFNNYJAG-UHFFFAOYSA-N 0 3 587.209 4.851 1 0 KJAFHN COC(=O)[C@@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@H](c1cccc3ccccc31)N(C)[C@H]2c1cccc2ccccc21 ZINC000137070092 562831340 /nfs/dbraw/zinc/83/13/40/562831340.db2.gz TXMXZMZUUUNETC-LCAOSWTRSA-N 0 3 536.628 4.554 1 0 KJAFHN COC(=O)[C@@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@H](c1cccc3ccccc31)N(C)[C@@H]2c1cccc2ccccc21 ZINC000137070128 562831334 /nfs/dbraw/zinc/83/13/34/562831334.db2.gz TXMXZMZUUUNETC-FLLYCIPJSA-N 0 3 536.628 4.554 1 0 KJAFHN CCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(C)C ZINC000137084759 562831353 /nfs/dbraw/zinc/83/13/53/562831353.db2.gz DUTCXSHILPDZPT-JJZWAMKESA-N 0 3 612.900 4.981 1 0 KJAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cc7ccccc7cn6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137888423 562831632 /nfs/dbraw/zinc/83/16/32/562831632.db2.gz AMYNNROXKIMAQI-HNGSBMKYSA-N 0 3 628.858 4.727 1 0 KJAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7n6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137888620 562831653 /nfs/dbraw/zinc/83/16/53/562831653.db2.gz FNNRMLKMXRGQPP-QFHPSVQXSA-N 0 3 628.858 4.727 1 0 KJAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ncccc7c6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137889304 562831648 /nfs/dbraw/zinc/83/16/48/562831648.db2.gz NCCCOSWADMJUCH-HNGSBMKYSA-N 0 3 628.858 4.727 1 0 KJAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cnc7ccccc7c6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137889957 562831621 /nfs/dbraw/zinc/83/16/21/562831621.db2.gz AJAGXQMFFMAXOL-HNGSBMKYSA-N 0 3 628.858 4.727 1 0 KJAFHN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ncc[nH]3)c3ncc(N(C)CCN(C)C)nc23)c1Cl ZINC000137972938 562831706 /nfs/dbraw/zinc/83/17/06/562831706.db2.gz RMRAUVAJOMBYOP-UHFFFAOYSA-N 0 3 544.443 4.594 1 0 KJAFHN CCCN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(F)cc3Cl)N=C(c3c(F)cc(F)cc3F)N2)CC1 ZINC000138153366 562831762 /nfs/dbraw/zinc/83/17/62/562831762.db2.gz FHWOGMUWXXPWGQ-VWLOTQADSA-N 0 3 553.000 4.832 1 0 KJAFHN CCCN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(F)cc3Cl)N=C(c3c(F)cc(F)cc3F)N2)CC1 ZINC000138153468 562831731 /nfs/dbraw/zinc/83/17/31/562831731.db2.gz FHWOGMUWXXPWGQ-RUZDIDTESA-N 0 3 553.000 4.832 1 0 KJAFHN COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H](N[C@H](C)c3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000138278003 562831812 /nfs/dbraw/zinc/83/18/12/562831812.db2.gz JZTFFTMPOGLVCG-CBZQJITBSA-N 0 3 574.681 4.663 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)OC3)n1 ZINC000138434236 562831887 /nfs/dbraw/zinc/83/18/87/562831887.db2.gz OPKCTAPDQPSYCC-UHFFFAOYSA-N 0 3 557.529 4.534 1 0 KJAFHN CCN1CCC(NC(=O)c2ccc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C5)n3)c(OC)c2)CC1 ZINC000138456354 562831881 /nfs/dbraw/zinc/83/18/81/562831881.db2.gz PNLMQWDYSUHABE-UHFFFAOYSA-N 0 3 584.599 4.840 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138456718 562831936 /nfs/dbraw/zinc/83/19/36/562831936.db2.gz ULMMVBPTWVRPSI-UHFFFAOYSA-N 0 3 588.562 4.589 1 0 KJAFHN COC(=O)c1ccccc1Oc1nc(Nc2cc(F)c(C(=O)NC3CCN(C)CC3)cc2OC)ncc1C(F)(F)F ZINC000138488840 562831931 /nfs/dbraw/zinc/83/19/31/562831931.db2.gz ZGDVYDCHCNGKSV-UHFFFAOYSA-N 0 3 577.535 4.790 1 0 KJAFHN COC(=O)c1ccccc1Oc1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)cc2OC)ncc1C(F)(F)F ZINC000138488947 562831929 /nfs/dbraw/zinc/83/19/29/562831929.db2.gz XJRCPKNKGIYJBW-UHFFFAOYSA-N 0 3 559.545 4.651 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000138495681 562831899 /nfs/dbraw/zinc/83/18/99/562831899.db2.gz IVXCWCSBZZYDLM-OAHLLOKOSA-N 0 3 569.037 4.784 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000138495787 562831946 /nfs/dbraw/zinc/83/19/46/562831946.db2.gz IVXCWCSBZZYDLM-HNNXBMFYSA-N 0 3 569.037 4.784 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3[nH]cnc32)n1 ZINC000138498296 562831972 /nfs/dbraw/zinc/83/19/72/562831972.db2.gz QCQWGTINUNAWET-UHFFFAOYSA-N 0 3 541.534 4.740 1 0 KJAFHN CC1=CC(=O)N(N=c2nc(-c3cccs3)[nH]c3scc(-c4cccc(OCCN(C)C)c4)c32)C1=O ZINC000138500123 562832004 /nfs/dbraw/zinc/83/20/04/562832004.db2.gz JYDHYJSIIBNBOW-UHFFFAOYSA-N 0 3 505.625 4.669 1 0 KJAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@H]2OC)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000138504368 562831970 /nfs/dbraw/zinc/83/19/70/562831970.db2.gz LCNAAQOCPPIRBP-PXDATVDWSA-N 0 3 609.127 4.753 1 0 KJAFHN COc1cccc(COc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000138508333 562832009 /nfs/dbraw/zinc/83/20/09/562832009.db2.gz JGKQQVCIEDSZBD-UHFFFAOYSA-N 0 3 545.562 4.659 1 0 KJAFHN CCN(c1ccccc1Oc1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)cc2OC)ncc1C(F)(F)F)S(C)(=O)=O ZINC000138518195 562832011 /nfs/dbraw/zinc/83/20/11/562832011.db2.gz UIZFQPRQYBAJSU-UHFFFAOYSA-N 0 3 622.670 4.650 1 0 KJAFHN COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC3CCC(C)CC3)nc2N)cc1I ZINC000139141409 562832372 /nfs/dbraw/zinc/83/23/72/562832372.db2.gz SQITVDMALFMDQL-UHFFFAOYSA-N 0 3 553.445 4.695 1 0 KJAFHN CCN1c2ccc(OCCCN(CCc3cccnc3)Cc3ccncc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139546563 562832584 /nfs/dbraw/zinc/83/25/84/562832584.db2.gz CFHAMFAFVWBLDT-UHFFFAOYSA-N 0 3 529.685 4.654 1 0 KJAFHN CCN1c2ccc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3cccs3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139580456 562832654 /nfs/dbraw/zinc/83/26/54/562832654.db2.gz QEBMMPNMOSIUKC-UHFFFAOYSA-N 0 3 576.719 4.983 1 0 KJAFHN O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(CCN5CCCC5)s4)ccn32)c1 ZINC000139659345 562832697 /nfs/dbraw/zinc/83/26/97/562832697.db2.gz APWOQHLTDQEBPY-UHFFFAOYSA-N 0 3 515.565 4.842 1 0 KJAFHN Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1cc(Nc2cc3n(n2)CCN(C)C3)c(=O)[nH]n1 ZINC000139769323 562832763 /nfs/dbraw/zinc/83/27/63/562832763.db2.gz IJRFZGHNQDHMLW-UHFFFAOYSA-N 0 3 511.611 4.598 1 0 KJAFHN NCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000140234066 562832995 /nfs/dbraw/zinc/83/29/95/562832995.db2.gz WSZUUDJTTNSVIS-HXUWFJFHSA-N 0 3 510.516 4.523 1 0 KJAFHN CCN(C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(N3CCc4ccccc4C3)n2)cc1)c1cccc(C)c1 ZINC000140365967 562833030 /nfs/dbraw/zinc/83/30/30/562833030.db2.gz RGXRDSPPMREJGO-UHFFFAOYSA-N 0 3 564.738 4.995 1 0 KJAFHN CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(N3CCc4ccccc4C3)n2)cc1)c1cccc(C)c1 ZINC000140413467 562833063 /nfs/dbraw/zinc/83/30/63/562833063.db2.gz GYJBRTKAEHLDQW-UHFFFAOYSA-N 0 3 619.818 4.681 1 0 KJAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(C4CC4)CC3)nc12 ZINC000140566566 562833185 /nfs/dbraw/zinc/83/31/85/562833185.db2.gz ZYKZEGDYBZOIIO-UHFFFAOYSA-N 0 3 577.615 5.000 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C1CCCCC1)CC2 ZINC000141178686 562833506 /nfs/dbraw/zinc/83/35/06/562833506.db2.gz AHVMSKPIENGSCP-UHFFFAOYSA-N 0 3 529.689 4.600 1 0 KJAFHN Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NCCN(C)C)cc3Cl)nc1-2 ZINC000141180499 562833480 /nfs/dbraw/zinc/83/34/80/562833480.db2.gz XJKWCPWVCJYFRN-UHFFFAOYSA-N 0 3 516.049 4.640 1 0 KJAFHN Cn1nc2c(c1Cc1ccccc1)-c1nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3Cl)ncc1CC2 ZINC000141180695 562833499 /nfs/dbraw/zinc/83/34/99/562833499.db2.gz KLKYARPGOYWXOL-UHFFFAOYSA-N 0 3 542.087 4.788 1 0 KJAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1 ZINC000141659520 562833651 /nfs/dbraw/zinc/83/36/51/562833651.db2.gz CABQJBSWWUWPMM-AZGAKELHSA-N 0 3 540.693 4.977 1 0 KJAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000141750497 562833753 /nfs/dbraw/zinc/83/37/53/562833753.db2.gz CPVLFAPAIXRGNV-DJJHDAFRSA-N 0 3 564.048 4.927 1 0 KJAFHN Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(C(=O)NC(C)C)c4)c(OCCN(C)C)c3)c12 ZINC000141885864 562833800 /nfs/dbraw/zinc/83/38/00/562833800.db2.gz YHPJIZMLBPMBAN-UHFFFAOYSA-N 0 3 515.618 4.656 1 0 KJAFHN C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@H]2c2ccccc2)n1)c1ccc(CN2CCN(C)CC2)cc1 ZINC000142125544 562833986 /nfs/dbraw/zinc/83/39/86/562833986.db2.gz ABKNPJYNYABUMZ-HFZDXXHNSA-N 0 3 500.647 4.874 1 0 KJAFHN C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)c1ccc(CN2CCN(C)CC2)cc1 ZINC000142127106 562833992 /nfs/dbraw/zinc/83/39/92/562833992.db2.gz ABKNPJYNYABUMZ-LVXARBLLSA-N 0 3 500.647 4.874 1 0 KJAFHN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N(C)CCN(Cc3ccccc3)C(C)C)cc2)cc1 ZINC000142237041 562834078 /nfs/dbraw/zinc/83/40/78/562834078.db2.gz GXJAXPIQTKTICI-UHFFFAOYSA-N 0 3 507.700 4.798 1 0 KJAFHN Fc1cnc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn12 ZINC000143005322 562834518 /nfs/dbraw/zinc/83/45/18/562834518.db2.gz CNHFQNWBIBKKAW-UHFFFAOYSA-N 0 3 502.557 4.982 1 0 KJAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@H](OC)c1ccccc1)CC2 ZINC000143035246 562834502 /nfs/dbraw/zinc/83/45/02/562834502.db2.gz AJAFOWWBWDAJJQ-SSEXGKCCSA-N 0 3 540.668 4.938 1 0 KJAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@@H](OC)c1ccccc1)CC2 ZINC000143035448 562834488 /nfs/dbraw/zinc/83/44/88/562834488.db2.gz AJAFOWWBWDAJJQ-PMERELPUSA-N 0 3 540.668 4.938 1 0 KJAFHN COc1ccccc1Cc1c2c(nn1C)CCc1cnc(Nc3ccc(OCCN4CCCC4)cc3OC)nc1-2 ZINC000143035891 562834493 /nfs/dbraw/zinc/83/44/93/562834493.db2.gz MZBICBZLXLHPHV-UHFFFAOYSA-N 0 3 540.668 4.802 1 0 KJAFHN COc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(OCCN4CCCC4)cc3OC)nc1-2 ZINC000143041410 562834468 /nfs/dbraw/zinc/83/44/68/562834468.db2.gz IMJXBFRVJPEFMA-UHFFFAOYSA-N 0 3 526.641 4.878 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(C)cc1C)CC2 ZINC000143043094 562834557 /nfs/dbraw/zinc/83/45/57/562834557.db2.gz LKAJZYIRILDTRL-UHFFFAOYSA-N 0 3 551.695 4.836 1 0 KJAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1occc1C)CC2 ZINC000143043542 562834539 /nfs/dbraw/zinc/83/45/39/562834539.db2.gz KSDHCKLZNXBUBM-UHFFFAOYSA-N 0 3 500.603 4.771 1 0 KJAFHN COc1ccc(-c2c3c(nn2C)CCc2cnc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4OC)nc2-3)c(Cl)c1 ZINC000143048811 562834524 /nfs/dbraw/zinc/83/45/24/562834524.db2.gz LGDCGOHLXJYDNG-UHFFFAOYSA-N 0 3 588.112 4.881 1 0 KJAFHN CCOc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143080849 562834530 /nfs/dbraw/zinc/83/45/30/562834530.db2.gz GHGMTBWCTGUMDR-UHFFFAOYSA-N 0 3 537.668 4.609 1 0 KJAFHN COCCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3Cl)CC4)c(OC)c2)CC1 ZINC000143085927 562834594 /nfs/dbraw/zinc/83/45/94/562834594.db2.gz VBBSSHDNAJSCQC-UHFFFAOYSA-N 0 3 602.139 4.889 1 0 KJAFHN CCOc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000143092518 562834612 /nfs/dbraw/zinc/83/46/12/562834612.db2.gz XLNGCGMXLCQOAA-UHFFFAOYSA-N 0 3 551.695 4.533 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C(C)C)c1C(C)C)CC2 ZINC000143097971 562834592 /nfs/dbraw/zinc/83/45/92/562834592.db2.gz FQNMCRVZADRDPV-UHFFFAOYSA-N 0 3 517.678 4.719 1 0 KJAFHN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN(CC)CC)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000143115820 562834625 /nfs/dbraw/zinc/83/46/25/562834625.db2.gz ZBOCBASKJOBZTN-UHFFFAOYSA-N 0 3 593.885 4.890 1 0 KJAFHN Brc1c2nc(N3CCN4CCC3CC4)[nH]c2c(Br)c(Br)c1Br ZINC000143449605 562835016 /nfs/dbraw/zinc/83/50/16/562835016.db2.gz HEQVIURRETYACQ-UHFFFAOYSA-N 0 3 557.910 4.897 1 0 KJAFHN Brc1c2nc(N[C@H]3COC[C@@H]3N3CCCC3)[nH]c2c(Br)c(Br)c1Br ZINC000143522365 562835130 /nfs/dbraw/zinc/83/51/30/562835130.db2.gz QFCBDZVUNMKWRL-YUMQZZPRSA-N 0 3 587.936 4.888 1 0 KJAFHN CN1CCN(C2CCN(c3nc4c([nH]3)c(Br)c(Br)c(Br)c4Br)CC2)CC1 ZINC000143531351 562835143 /nfs/dbraw/zinc/83/51/43/562835143.db2.gz LNTNTVKANYGUFS-UHFFFAOYSA-N 0 3 615.006 4.829 1 0 KJAFHN CCCn1c(N2CCNCC2)nc2c1c(Br)c(Br)c(Br)c2Br ZINC000143538562 562835107 /nfs/dbraw/zinc/83/51/07/562835107.db2.gz ISESXJVPSNHCGF-UHFFFAOYSA-N 0 3 559.926 4.906 1 0 KJAFHN CC(C)[C@H](C(=O)Nc1ccc(F)cc1)N1C[C@@H]2C(=O)N(c3ccc(OCC(F)(F)F)cc3)CC[C@@H]2C1 ZINC000143654908 562835221 /nfs/dbraw/zinc/83/52/21/562835221.db2.gz SDRNBXQJIXBCGH-MQNAVGNWSA-N 0 3 507.528 4.715 1 0 KJAFHN CC(C)[C@@H](C(=O)Nc1ccc(F)cc1)N1C[C@@H]2C(=O)N(c3ccc(OCC(F)(F)F)cc3)CC[C@@H]2C1 ZINC000143655099 562835191 /nfs/dbraw/zinc/83/51/91/562835191.db2.gz SDRNBXQJIXBCGH-VSDWSMLSSA-N 0 3 507.528 4.715 1 0 KJAFHN CN1Cc2cc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c5nccn5c4n3)ccc2C2(CC2)C1 ZINC000143866588 562835312 /nfs/dbraw/zinc/83/53/12/562835312.db2.gz LVWGYVOYZGMKSJ-UHFFFAOYSA-N 0 3 518.408 4.956 1 0 KJAFHN O=c1oc2ccccc2n1CCCCCCN1CCN(CCCCCCn2c3ccccc3oc2=O)CC1 ZINC000144129740 562835774 /nfs/dbraw/zinc/83/57/74/562835774.db2.gz XNNAJBXRFLZCOU-UHFFFAOYSA-N 0 3 520.674 4.941 1 0 KJAFHN COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1 ZINC000144554130 562836385 /nfs/dbraw/zinc/83/63/85/562836385.db2.gz DLYVBBHWZBJLQE-TUSQITKMSA-N 0 3 577.623 4.571 1 0 KJAFHN CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CCCC4)ccn3)c2s1 ZINC000144676254 562836620 /nfs/dbraw/zinc/83/66/20/562836620.db2.gz URMYCJJHVDVNAS-UHFFFAOYSA-N 0 3 517.659 4.780 1 0 KJAFHN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(C(=O)NCCCN4CCN(C)CC4)c3)nnc2c1 ZINC000145447863 562837042 /nfs/dbraw/zinc/83/70/42/562837042.db2.gz YMWHIIIIWYCNJY-UHFFFAOYSA-N 0 3 523.685 4.728 1 0 KJAFHN Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000145923256 562837810 /nfs/dbraw/zinc/83/78/10/562837810.db2.gz DCGOZLMPOYHONG-UHFFFAOYSA-N 0 3 529.620 4.820 1 0 KJAFHN CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@@H](CCCC[NH+](C)C)C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000145930388 562837788 /nfs/dbraw/zinc/83/77/88/562837788.db2.gz SNFFUWGKGBIEPQ-QRLJAKNQSA-N 0 3 573.800 4.775 1 0 KJAFHN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2OC)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000145952155 562837772 /nfs/dbraw/zinc/83/77/72/562837772.db2.gz LCNAAQOCPPIRBP-SQJMNOBHSA-N 0 3 609.127 4.753 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)OC3)n1 ZINC000145955460 562837786 /nfs/dbraw/zinc/83/77/86/562837786.db2.gz AWBCRKKOGTXFQD-UHFFFAOYSA-N 0 3 575.519 4.673 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145961922 562837850 /nfs/dbraw/zinc/83/78/50/562837850.db2.gz QUSSZSMDFABHLI-UHFFFAOYSA-N 0 3 555.557 4.993 1 0 KJAFHN CCN1Cc2cccc(Oc3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4OC)ncc3C(F)(F)F)c2C1=O ZINC000145978345 562837925 /nfs/dbraw/zinc/83/79/25/562837925.db2.gz LPQRGGIFEUQWDE-UHFFFAOYSA-N 0 3 584.599 4.840 1 0 KJAFHN CCN1CCC(NC(=O)c2cc(OC)c(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C5)n3)cc2F)CC1 ZINC000145983210 562837880 /nfs/dbraw/zinc/83/78/80/562837880.db2.gz OXSSSAYIEPSZHP-UHFFFAOYSA-N 0 3 602.589 4.979 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(Br)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145988459 562837919 /nfs/dbraw/zinc/83/79/19/562837919.db2.gz PAOYNIROZNIMTN-UHFFFAOYSA-N 0 3 566.456 4.737 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000146014585 562837936 /nfs/dbraw/zinc/83/79/36/562837936.db2.gz KBUXQKRGSYLJGH-UHFFFAOYSA-N 0 3 604.561 4.520 1 0 KJAFHN CN1CCn2nc(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6ccccc6s5)c4F)n[nH]c3=O)cc2C1 ZINC000146014823 562837947 /nfs/dbraw/zinc/83/79/47/562837947.db2.gz HJGDHPGHCPMSNJ-UHFFFAOYSA-N 0 3 533.564 4.568 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000146029335 562837927 /nfs/dbraw/zinc/83/79/27/562837927.db2.gz UODLQAPWOCVJRD-UHFFFAOYSA-N 0 3 539.995 4.767 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146040488 562838000 /nfs/dbraw/zinc/83/80/00/562838000.db2.gz WPMQJJCAOQMJCW-UHFFFAOYSA-N 0 3 584.599 4.758 1 0 KJAFHN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2OC)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146050142 562838027 /nfs/dbraw/zinc/83/80/27/562838027.db2.gz MXGHFBUCANYXOR-IJHUGTEESA-N 0 3 615.518 4.923 1 0 KJAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2OC)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146056111 562838030 /nfs/dbraw/zinc/83/80/30/562838030.db2.gz MXGHFBUCANYXOR-VEQVNTQVSA-N 0 3 615.518 4.923 1 0 KJAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2OC)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000146061103 562838091 /nfs/dbraw/zinc/83/80/91/562838091.db2.gz LCNAAQOCPPIRBP-BWKNWUBXSA-N 0 3 609.127 4.753 1 0 KJAFHN COCCN1CCC(NC(=O)c2ccc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C5)n3)c(C)c2)CC1 ZINC000146069403 562838156 /nfs/dbraw/zinc/83/81/56/562838156.db2.gz MPFLJFPOUPQONG-UHFFFAOYSA-N 0 3 598.626 4.766 1 0 KJAFHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146070889 562838147 /nfs/dbraw/zinc/83/81/47/562838147.db2.gz JDMMETDHSXVEEV-LJQANCHMSA-N 0 3 554.573 4.749 1 0 KJAFHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146071116 562838124 /nfs/dbraw/zinc/83/81/24/562838124.db2.gz JDMMETDHSXVEEV-IBGZPJMESA-N 0 3 554.573 4.749 1 0 KJAFHN Cc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146071771 562838160 /nfs/dbraw/zinc/83/81/60/562838160.db2.gz ZIZWEURKTNQLCZ-UHFFFAOYSA-N 0 3 554.573 4.749 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)N(C)C3)n1 ZINC000146084829 562838288 /nfs/dbraw/zinc/83/82/88/562838288.db2.gz TYNNUMPGOMLDRK-UHFFFAOYSA-N 0 3 602.589 4.897 1 0 KJAFHN Cc1ccc(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)c(C)c1NC(=O)c1cc2ccccc2s1 ZINC000146118446 562838259 /nfs/dbraw/zinc/83/82/59/562838259.db2.gz YVDMQSQHLIBTLO-UHFFFAOYSA-N 0 3 525.638 4.906 1 0 KJAFHN CC[C@H]1COc2cccc(Oc3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4OC)ncc3C(F)(F)F)c2C(=O)N1 ZINC000146239252 562838395 /nfs/dbraw/zinc/83/83/95/562838395.db2.gz LJLCEDCAWYKUPJ-SFHVURJKSA-N 0 3 614.625 4.765 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)NC(C)(C)CO3)n1 ZINC000146333740 562838415 /nfs/dbraw/zinc/83/84/15/562838415.db2.gz ZHNNEYWYYSERIF-UHFFFAOYSA-N 0 3 614.625 4.765 1 0 KJAFHN CCCS(=O)(=O)NCCOc1cc(Br)c2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)NCC2 ZINC000146454214 562838580 /nfs/dbraw/zinc/83/85/80/562838580.db2.gz DKPDBPMACRLSMD-QHCPKHFHSA-N 0 3 525.484 4.605 1 0 KJAFHN CCCS(=O)(=O)NCCOc1cc(Br)c2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)NCC2 ZINC000146454426 562838600 /nfs/dbraw/zinc/83/86/00/562838600.db2.gz DKPDBPMACRLSMD-HSZRJFAPSA-N 0 3 525.484 4.605 1 0 KJAFHN CN1CCN(c2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccsc5)N5CCCC5)cc43)cc2)CC1 ZINC000146726825 562838777 /nfs/dbraw/zinc/83/87/77/562838777.db2.gz SUFAWXVSCZFIGM-MHZLTWQESA-N 0 3 500.672 4.819 1 0 KJAFHN CN1CCN(c2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccsc5)N5CCCC5)cc43)cc2)CC1 ZINC000146727034 562838754 /nfs/dbraw/zinc/83/87/54/562838754.db2.gz SUFAWXVSCZFIGM-HHHXNRCGSA-N 0 3 500.672 4.819 1 0 KJAFHN CC(C)CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146805162 562838815 /nfs/dbraw/zinc/83/88/15/562838815.db2.gz BWXWKPPKCMVJHG-QISNEAOYSA-N 0 3 612.545 4.908 1 0 KJAFHN CC(C)CC(C)(C)C[C@H]1N(C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000146807342 562838813 /nfs/dbraw/zinc/83/88/13/562838813.db2.gz MQWCQUCGCWNIAO-RFHZMROGSA-N 0 3 592.127 4.596 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(F)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146913300 562838866 /nfs/dbraw/zinc/83/88/66/562838866.db2.gz YRDPNDOUYALHLI-YJRDPZTCSA-N 0 3 546.058 4.788 1 0 KJAFHN CCn1nc(C2CC2)c(Cl)c1N1CCc2nc(-c3c4c(C)n[nH]c4ccc3C)nc(N3CC(N(C)C)C3)c2C1 ZINC000146928660 562838922 /nfs/dbraw/zinc/83/89/22/562838922.db2.gz NBFVDHHRGIVVGV-UHFFFAOYSA-N 0 3 546.123 4.697 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(Cl)c2F)[C@]12c1ccc(Cl)cc1NC2=O ZINC000146986055 562839003 /nfs/dbraw/zinc/83/90/03/562839003.db2.gz MZBOZBMARIQZGX-FKDITPLCSA-N 0 3 548.486 4.912 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000147075440 562839109 /nfs/dbraw/zinc/83/91/09/562839109.db2.gz YPBSIJVXMPPDCG-OZUKBIBUSA-N 0 3 548.486 4.912 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CC(O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000147080243 562839132 /nfs/dbraw/zinc/83/91/32/562839132.db2.gz NLQIFYWAHULSET-IRIPZPJVSA-N 0 3 534.459 4.522 1 0 KJAFHN CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(CN(C)C)cc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000147080860 562839150 /nfs/dbraw/zinc/83/91/50/562839150.db2.gz BLDXWRFKMMDTCA-OGESRWMOSA-N 0 3 571.766 4.842 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC(C)(C)O)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000147201699 562839168 /nfs/dbraw/zinc/83/91/68/562839168.db2.gz JRYWEKQNCYQQAJ-ZGHAIXGJSA-N 0 3 536.475 4.770 1 0 KJAFHN CN1CCC(Nc2ccc(-c3ccn4c(c3)ncc4-c3cccc(NC(=O)NCC(F)(F)F)c3)nn2)CC1 ZINC000147233148 562839236 /nfs/dbraw/zinc/83/92/36/562839236.db2.gz QXEIBRXBXUDRBY-UHFFFAOYSA-N 0 3 524.551 4.648 1 0 KJAFHN CC(C)NC(=O)N1CC(NC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000147460184 562839359 /nfs/dbraw/zinc/83/93/59/562839359.db2.gz QSLDKSASSTYODR-ZWXBAZLCSA-N 0 3 604.554 4.801 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000147461002 562839376 /nfs/dbraw/zinc/83/93/76/562839376.db2.gz YPBSIJVXMPPDCG-VNPCSYAKSA-N 0 3 548.486 4.912 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CCN(C)CC4)CC3)nc12 ZINC000148028018 562839910 /nfs/dbraw/zinc/83/99/10/562839910.db2.gz JSXYOKSMAYRQCL-UHFFFAOYSA-N 0 3 620.684 4.541 1 0 KJAFHN CN1CCCN(c2nc(N)c3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4Cl)c3n2)CC1 ZINC000148035106 562839884 /nfs/dbraw/zinc/83/98/84/562839884.db2.gz VIVORZBOHGXGJC-UHFFFAOYSA-N 0 3 571.995 4.812 1 0 KJAFHN CN1CCCN(c2nc(N)c3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4Br)c3n2)CC1 ZINC000148035605 562839946 /nfs/dbraw/zinc/83/99/46/562839946.db2.gz GTLNGYAXTUMNNG-UHFFFAOYSA-N 0 3 616.446 4.921 1 0 KJAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CCN(C)CC4)CC3)nc12 ZINC000148046598 562839939 /nfs/dbraw/zinc/83/99/39/562839939.db2.gz SYBOGNVDCRAONH-UHFFFAOYSA-N 0 3 620.684 4.541 1 0 KJAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(C4CC4)CC3)nc12 ZINC000148046846 562839923 /nfs/dbraw/zinc/83/99/23/562839923.db2.gz LBJJGUGKTFKZDX-UHFFFAOYSA-N 0 3 577.615 5.000 1 0 KJAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3C[C@@H](C)N[C@H](C)C3)nc12 ZINC000148048539 562840018 /nfs/dbraw/zinc/84/00/18/562840018.db2.gz ATHXKLHQSBWUCO-HZPDHXFCSA-N 0 3 551.577 4.512 1 0 KJAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3C[C@@H](C)N[C@@H](C)C3)nc12 ZINC000148048737 562839998 /nfs/dbraw/zinc/83/99/98/562839998.db2.gz ATHXKLHQSBWUCO-IYBDPMFKSA-N 0 3 551.577 4.512 1 0 KJAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3C[C@H](C)N[C@@H](C)C3)nc12 ZINC000148048977 562840026 /nfs/dbraw/zinc/84/00/26/562840026.db2.gz ATHXKLHQSBWUCO-HOTGVXAUSA-N 0 3 551.577 4.512 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[C@H](F)C3)nc12 ZINC000148054324 562840000 /nfs/dbraw/zinc/84/00/00/562840000.db2.gz HFINBCKMHHIJNQ-FQEVSTJZSA-N 0 3 626.663 4.871 1 0 KJAFHN Cc1ccc(C(=O)NCc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148062087 562840093 /nfs/dbraw/zinc/84/00/93/562840093.db2.gz UYXINMNECFWUSP-UHFFFAOYSA-N 0 3 526.689 4.697 1 0 KJAFHN COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000148068746 562840063 /nfs/dbraw/zinc/84/00/63/562840063.db2.gz FJINZJVMYRGWFW-UHFFFAOYSA-N 0 3 582.587 4.594 1 0 KJAFHN COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCN3CCCC3)nc21 ZINC000148069406 562840102 /nfs/dbraw/zinc/84/01/02/562840102.db2.gz VROVILJPIPSKAO-UHFFFAOYSA-N 0 3 596.614 4.984 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N(C)CCN(C)C)nc43)c2)cc1C(F)(F)F ZINC000148072865 562840114 /nfs/dbraw/zinc/84/01/14/562840114.db2.gz LUQZXHKITAVXKW-UHFFFAOYSA-N 0 3 558.540 4.580 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NCCN(C)C)nc43)c2)cc1C(F)(F)F ZINC000148074907 562840135 /nfs/dbraw/zinc/84/01/35/562840135.db2.gz BQLUHTCTTSOAGP-UHFFFAOYSA-N 0 3 544.513 4.556 1 0 KJAFHN CN(C)CCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C(F)(F)F)c2n1 ZINC000148081181 562840158 /nfs/dbraw/zinc/84/01/58/562840158.db2.gz ABFJKYDSYDSXHK-UHFFFAOYSA-N 0 3 557.581 4.718 1 0 KJAFHN CN1CCCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C(F)(F)F)c3n2)CC1 ZINC000148081617 562840168 /nfs/dbraw/zinc/84/01/68/562840168.db2.gz CYXUKSWLNWZORR-UHFFFAOYSA-N 0 3 569.592 4.862 1 0 KJAFHN CN(C)CCNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C(F)(F)F)c2n1 ZINC000148082957 562840153 /nfs/dbraw/zinc/84/01/53/562840153.db2.gz HVSAHNJPWZRMFU-UHFFFAOYSA-N 0 3 543.554 4.694 1 0 KJAFHN CN(CCN1CCCC1)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3Cl)c2n1 ZINC000148085057 562840150 /nfs/dbraw/zinc/84/01/50/562840150.db2.gz MDOWDAGCKDBQKK-UHFFFAOYSA-N 0 3 550.067 4.887 1 0 KJAFHN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148145594 562840302 /nfs/dbraw/zinc/84/03/02/562840302.db2.gz YNFWEHWNCSQCLJ-UHFFFAOYSA-N 0 3 611.673 4.823 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC3)nc21 ZINC000148146310 562840298 /nfs/dbraw/zinc/84/02/98/562840298.db2.gz DUNUSVJZKOLONC-UHFFFAOYSA-N 0 3 579.631 4.951 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148152945 562840364 /nfs/dbraw/zinc/84/03/64/562840364.db2.gz HSUWVJRJSYECSB-UHFFFAOYSA-N 0 3 609.657 4.577 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccc(N(C)CCN(C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C)nc21 ZINC000148155327 562840357 /nfs/dbraw/zinc/84/03/57/562840357.db2.gz JWINKAOKJTVDRJ-UHFFFAOYSA-N 0 3 567.620 4.807 1 0 KJAFHN CNc1ncc2ncnc(Nc3cc(C(=O)Nc4ccc(N(C)CCN(C)C)c(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148155560 562840383 /nfs/dbraw/zinc/84/03/83/562840383.db2.gz ZSTQZSGGZCXWLI-UHFFFAOYSA-N 0 3 553.593 4.782 1 0 KJAFHN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(OCCN(C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148157045 562840351 /nfs/dbraw/zinc/84/03/51/562840351.db2.gz SWIVDPIVUXEYCN-UHFFFAOYSA-N 0 3 598.630 4.766 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC3)nc21 ZINC000148160201 562840338 /nfs/dbraw/zinc/84/03/38/562840338.db2.gz UOFTWYNFDXRQCO-UHFFFAOYSA-N 0 3 566.588 4.893 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148163525 562840441 /nfs/dbraw/zinc/84/04/41/562840441.db2.gz VRRUMFHQFAFJOV-UHFFFAOYSA-N 0 3 596.614 4.520 1 0 KJAFHN COCCNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(OCCN(C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148164832 562840426 /nfs/dbraw/zinc/84/04/26/562840426.db2.gz DELWEBOBTTWIEA-UHFFFAOYSA-N 0 3 584.603 4.742 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C)nc21 ZINC000148165537 562840439 /nfs/dbraw/zinc/84/04/39/562840439.db2.gz GAXPXRRTBIVHFM-UHFFFAOYSA-N 0 3 554.577 4.749 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC3)nc21 ZINC000148167342 562840390 /nfs/dbraw/zinc/84/03/90/562840390.db2.gz FUYCFTXWHHPOLQ-UHFFFAOYSA-N 0 3 579.631 4.951 1 0 KJAFHN COCCNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(N(C)CCN(C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148169533 562840424 /nfs/dbraw/zinc/84/04/24/562840424.db2.gz UTKJYMLGDJVYMD-UHFFFAOYSA-N 0 3 597.646 4.799 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C)nc21 ZINC000148171764 562840398 /nfs/dbraw/zinc/84/03/98/562840398.db2.gz PSMJIWVRFAAUIT-UHFFFAOYSA-N 0 3 567.620 4.807 1 0 KJAFHN Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000148174738 562840485 /nfs/dbraw/zinc/84/04/85/562840485.db2.gz GFNCABDMOLRKKQ-UHFFFAOYSA-N 0 3 550.589 4.563 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CCN2CCCC2)cc1Nc1ncnc2cnc(N3CC[C@@H](F)C3)nc21 ZINC000148185774 562840445 /nfs/dbraw/zinc/84/04/45/562840445.db2.gz JMLKFINECZNNRP-HSZRJFAPSA-N 0 3 623.737 4.992 1 0 KJAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000148199294 562840503 /nfs/dbraw/zinc/84/05/03/562840503.db2.gz ZEDBSKKCKDYWSN-UHFFFAOYSA-N 0 3 536.562 4.885 1 0 KJAFHN Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000148199635 562840519 /nfs/dbraw/zinc/84/05/19/562840519.db2.gz WKKZWVSZGHNELT-UHFFFAOYSA-N 0 3 538.700 4.841 1 0 KJAFHN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCCN(C)CC4)nc32)c1 ZINC000148199806 562840491 /nfs/dbraw/zinc/84/04/91/562840491.db2.gz IPNSFZWSYQVMPY-UHFFFAOYSA-N 0 3 566.588 4.893 1 0 KJAFHN Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000148200524 562840538 /nfs/dbraw/zinc/84/05/38/562840538.db2.gz XTQFVBGCBUHMNP-UHFFFAOYSA-N 0 3 550.589 4.563 1 0 KJAFHN Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000148201622 562840523 /nfs/dbraw/zinc/84/05/23/562840523.db2.gz XMXMZKBNNLPHLD-UHFFFAOYSA-N 0 3 552.561 4.765 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148203466 562840498 /nfs/dbraw/zinc/84/04/98/562840498.db2.gz HGLATHCVVVOJMI-UHFFFAOYSA-N 0 3 542.541 4.880 1 0 KJAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148203707 562840559 /nfs/dbraw/zinc/84/05/59/562840559.db2.gz DCLYMKBGVWJQAZ-UHFFFAOYSA-N 0 3 524.551 4.741 1 0 KJAFHN Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148203946 562840546 /nfs/dbraw/zinc/84/05/46/562840546.db2.gz ACAMHRNKYFQTON-UHFFFAOYSA-N 0 3 526.689 4.697 1 0 KJAFHN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N(C)CCN(C)C)nc32)c1 ZINC000148204185 562840557 /nfs/dbraw/zinc/84/05/57/562840557.db2.gz GWBSSJTZWVJVMI-UHFFFAOYSA-N 0 3 554.577 4.749 1 0 KJAFHN Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148207443 562840578 /nfs/dbraw/zinc/84/05/78/562840578.db2.gz FQQIBZLYBLCKDK-UHFFFAOYSA-N 0 3 540.550 4.621 1 0 KJAFHN Cc1ccc(C(=O)NCc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000148248908 562840711 /nfs/dbraw/zinc/84/07/11/562840711.db2.gz ALNBGDPVAOADAM-UHFFFAOYSA-N 0 3 538.700 4.841 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(C[C@@H]6CCOC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148293656 562840901 /nfs/dbraw/zinc/84/09/01/562840901.db2.gz JYMQSYYEDCNSGV-FQEVSTJZSA-N 0 3 622.652 4.910 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(C[C@H]6CCOC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148293893 562840878 /nfs/dbraw/zinc/84/08/78/562840878.db2.gz JYMQSYYEDCNSGV-HXUWFJFHSA-N 0 3 622.652 4.910 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5C[C@@H](C)N[C@@H](C)C5)nc43)c2)cc1C(F)(F)F ZINC000148296061 562840894 /nfs/dbraw/zinc/84/08/94/562840894.db2.gz CKWDGDIAFJERRA-CALCHBBNSA-N 0 3 566.588 4.938 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148299171 562840907 /nfs/dbraw/zinc/84/09/07/562840907.db2.gz PVDODZKNSNJGNI-UHFFFAOYSA-N 0 3 609.657 4.577 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCCN(C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148300109 562840928 /nfs/dbraw/zinc/84/09/28/562840928.db2.gz FJHFPTKUHZEOOE-UHFFFAOYSA-N 0 3 566.588 4.893 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2cnc(N3CCN(CC(C)C)CC3)nc21 ZINC000148304832 562840959 /nfs/dbraw/zinc/84/09/59/562840959.db2.gz NHLBEKIYZDVIIT-UHFFFAOYSA-N 0 3 542.692 4.523 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CCN(CC(C)C)CC3)nc21 ZINC000148305461 562840949 /nfs/dbraw/zinc/84/09/49/562840949.db2.gz HYDHHIVOMWXBSG-UHFFFAOYSA-N 0 3 565.604 4.916 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(N3CCCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148308376 562840942 /nfs/dbraw/zinc/84/09/42/562840942.db2.gz RGSDICNKFUJZFR-UHFFFAOYSA-N 0 3 621.668 4.721 1 0 KJAFHN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(N(C)CCN(C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148310491 562840955 /nfs/dbraw/zinc/84/09/55/562840955.db2.gz GPPYIIJIJLWSGV-UHFFFAOYSA-N 0 3 611.673 4.823 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCN(CC(C)C)CC3)nc21 ZINC000148322653 562841005 /nfs/dbraw/zinc/84/10/05/562841005.db2.gz FYILBHBXIRTBNF-UHFFFAOYSA-N 0 3 543.676 4.788 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(C6CCN(C)CC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148349751 562841174 /nfs/dbraw/zinc/84/11/74/562841174.db2.gz YKLYSAGZQIXPCV-UHFFFAOYSA-N 0 3 635.695 4.968 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[C@H](N(C)C)C5)nc43)c2)cc1C(F)(F)F ZINC000148350622 562841159 /nfs/dbraw/zinc/84/11/59/562841159.db2.gz FTUFCZZEUARZJV-IBGZPJMESA-N 0 3 566.588 4.892 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[C@@H](N(C)C)C5)nc43)c2)cc1C(F)(F)F ZINC000148350855 562841151 /nfs/dbraw/zinc/84/11/51/562841151.db2.gz FTUFCZZEUARZJV-LJQANCHMSA-N 0 3 566.588 4.892 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N(C)[C@@H]5CCN(C)C5)nc43)c2)cc1C(F)(F)F ZINC000148351118 562841142 /nfs/dbraw/zinc/84/11/42/562841142.db2.gz KDWAEVSPLAHKDT-LJQANCHMSA-N 0 3 566.588 4.892 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N(C)[C@H]5CCN(C)C5)nc43)c2)cc1C(F)(F)F ZINC000148351347 562841178 /nfs/dbraw/zinc/84/11/78/562841178.db2.gz KDWAEVSPLAHKDT-IBGZPJMESA-N 0 3 566.588 4.892 1 0 KJAFHN COc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(N(C)CCN(C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148355756 562841133 /nfs/dbraw/zinc/84/11/33/562841133.db2.gz LMPARERNIVAGIO-UHFFFAOYSA-N 0 3 554.577 4.749 1 0 KJAFHN COCCN1CCC(Nc2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C)c3n2)CC1 ZINC000148372739 562841227 /nfs/dbraw/zinc/84/12/27/562841227.db2.gz IRVOZNVGHAADDN-UHFFFAOYSA-N 0 3 559.675 4.532 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccnc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(NC3CCN(C)CC3)nc21 ZINC000148372949 562841212 /nfs/dbraw/zinc/84/12/12/562841212.db2.gz FABCQQWVRNTQHE-UHFFFAOYSA-N 0 3 525.661 4.923 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[C@@]4(CCN(C)C4)C3)nc21 ZINC000148374958 562841209 /nfs/dbraw/zinc/84/12/09/562841209.db2.gz OTUBGKOCPLPCKI-GDLZYMKVSA-N 0 3 541.660 4.542 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[C@]4(CCN(C)C4)C3)nc21 ZINC000148375162 562841202 /nfs/dbraw/zinc/84/12/02/562841202.db2.gz OTUBGKOCPLPCKI-LJAQVGFWSA-N 0 3 541.660 4.542 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(C(=O)N(C)C)c2)n1 ZINC000148449356 562841386 /nfs/dbraw/zinc/84/13/86/562841386.db2.gz GRDYWCBERYERBI-UHFFFAOYSA-N 0 3 572.588 4.566 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2C(=O)N(C)C)n1 ZINC000148451710 562841382 /nfs/dbraw/zinc/84/13/82/562841382.db2.gz MFHSCGUPPKILPD-UHFFFAOYSA-N 0 3 572.588 4.566 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C(=O)N(C)C)cc2)n1 ZINC000148452160 562841375 /nfs/dbraw/zinc/84/13/75/562841375.db2.gz QQEYKOXBVDDRLA-UHFFFAOYSA-N 0 3 572.588 4.566 1 0 KJAFHN COc1ccc(OC)c(CCOc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000148460917 562841446 /nfs/dbraw/zinc/84/14/46/562841446.db2.gz SXXOMSYACCMPRJ-UHFFFAOYSA-N 0 3 589.615 4.710 1 0 KJAFHN COc1cccc(COc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2C(F)(F)F)c1OC ZINC000148461132 562841441 /nfs/dbraw/zinc/84/14/41/562841441.db2.gz WYUAAMOYSFWEPG-UHFFFAOYSA-N 0 3 575.588 4.668 1 0 KJAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000148610020 562841520 /nfs/dbraw/zinc/84/15/20/562841520.db2.gz VVUZVKZRRVISEK-QFIPXVFZSA-N 0 3 515.050 4.779 1 0 KJAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000148611143 562841591 /nfs/dbraw/zinc/84/15/91/562841591.db2.gz JKMLVFVXNBYPHD-OAQYLSRUSA-N 0 3 501.023 4.737 1 0 KJAFHN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000148611327 562841556 /nfs/dbraw/zinc/84/15/56/562841556.db2.gz JKMLVFVXNBYPHD-NRFANRHFSA-N 0 3 501.023 4.737 1 0 KJAFHN O=S(=O)(c1ccccc1)n1ccc2c1cccc2N1CCN(CCCCOc2ccc(F)cc2)CC1 ZINC000148676074 562841644 /nfs/dbraw/zinc/84/16/44/562841644.db2.gz OGRCTWORYPUCJU-UHFFFAOYSA-N 0 3 507.631 4.999 1 0 KJAFHN O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)cc2N1 ZINC000148678508 562841634 /nfs/dbraw/zinc/84/16/34/562841634.db2.gz MVUPPHQTJNNNFZ-UHFFFAOYSA-N 0 3 558.704 4.744 1 0 KJAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(F)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148743015 562841715 /nfs/dbraw/zinc/84/17/15/562841715.db2.gz HBAGNJCIEGUKLI-UHFFFAOYSA-N 0 3 567.650 4.576 1 0 KJAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(C)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148747560 562841717 /nfs/dbraw/zinc/84/17/17/562841717.db2.gz ZTKZGNHMDMISHE-UHFFFAOYSA-N 0 3 563.687 4.745 1 0 KJAFHN CN1CCC(Nc2cc(N3CCN(C)CC3)ccc2C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc32)CC1 ZINC000148764085 562841759 /nfs/dbraw/zinc/84/17/59/562841759.db2.gz HQZLQPMNIPRNBQ-UHFFFAOYSA-N 0 3 573.692 4.942 1 0 KJAFHN O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc21)c1ccc(N2CCNCC2)cc1NC1CCOCC1 ZINC000148765969 562841763 /nfs/dbraw/zinc/84/17/63/562841763.db2.gz SKXAZUOZHANICG-UHFFFAOYSA-N 0 3 546.622 4.685 1 0 KJAFHN COc1c(N)cccc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148802030 562841864 /nfs/dbraw/zinc/84/18/64/562841864.db2.gz JVDXUEPTJGMQMQ-NRFANRHFSA-N 0 3 502.055 4.599 1 0 KJAFHN COc1ccc(N)cc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148805837 562841857 /nfs/dbraw/zinc/84/18/57/562841857.db2.gz GQZFIKHEEPTODT-FQEVSTJZSA-N 0 3 502.055 4.599 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc3[nH]cnc3c2)n1 ZINC000148953823 562842063 /nfs/dbraw/zinc/84/20/63/562842063.db2.gz PMMAXDRXDKOVKW-UHFFFAOYSA-N 0 3 541.534 4.740 1 0 KJAFHN COc1cc(O[C@@H]2CCN(C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000149271788 562842551 /nfs/dbraw/zinc/84/25/51/562842551.db2.gz YRUIXESBPXQWOD-QGZVFWFLSA-N 0 3 501.955 4.957 1 0 KJAFHN COc1cc(O[C@H]2CCN(C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000149271995 562842538 /nfs/dbraw/zinc/84/25/38/562842538.db2.gz YRUIXESBPXQWOD-KRWDZBQOSA-N 0 3 501.955 4.957 1 0 KJAFHN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccc(Br)cc1)C(C)(C)C ZINC000149927779 562842828 /nfs/dbraw/zinc/84/28/28/562842828.db2.gz NPKHQQRAPCRMIM-NXRHLXSYSA-N 0 3 580.608 4.838 1 0 KJAFHN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](NC)C(C)(C)c1ccc(Br)cc1)C(C)(C)C ZINC000149928002 562842802 /nfs/dbraw/zinc/84/28/02/562842802.db2.gz NPKHQQRAPCRMIM-SDOHQOBWSA-N 0 3 580.608 4.838 1 0 KJAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3)c2n1 ZINC000150328750 562843061 /nfs/dbraw/zinc/84/30/61/562843061.db2.gz YYEOVZLKTIOHCA-UHFFFAOYSA-N 0 3 502.644 4.740 1 0 KJAFHN NCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn32)c1 ZINC000150337525 562843073 /nfs/dbraw/zinc/84/30/73/562843073.db2.gz WYVWWVCLAZRGJB-UHFFFAOYSA-N 0 3 509.414 4.620 1 0 KJAFHN CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nc(-c7cc[n+]([O-])cc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000150371760 562843365 /nfs/dbraw/zinc/84/33/65/562843365.db2.gz BCZGXEZPALEJJW-UHFFFAOYSA-N 0 3 638.780 4.909 1 0 KJAFHN CC(C)NCC(=O)CN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000150546855 562844447 /nfs/dbraw/zinc/84/44/47/562844447.db2.gz NTVJEGQCYOTZKO-UHFFFAOYSA-N 0 3 667.832 4.788 1 0 KJAFHN CC[C@H](NC)C(=O)N[C@H](C(=O)N1C[C@@H]2Cc3cc(Cl)cc(Cl)c3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000150598636 562846877 /nfs/dbraw/zinc/84/68/77/562846877.db2.gz KSALHYXGSMEPIV-MYEJIDBFSA-N 0 3 656.655 4.638 1 0 KJAFHN C[C@@H]([NH3+])Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1 ZINC000162699389 562849276 /nfs/dbraw/zinc/84/92/76/562849276.db2.gz BOEXMTMUPVZHFH-MRVPVSSYSA-N 0 3 620.994 4.888 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(NS(C)(=O)=O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000164799584 562849708 /nfs/dbraw/zinc/84/97/08/562849708.db2.gz JGKOPRLGFOZAPG-OXOWQEQRSA-N 0 3 639.621 4.859 1 0 KJAFHN CC(=O)OC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000164804961 562849774 /nfs/dbraw/zinc/84/97/74/562849774.db2.gz GAWPYTPNGOIQDW-ODXNXTLBSA-N 0 3 647.575 4.552 1 0 KJAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CCN(C6CCN(C)CC6)CC5)nc34)c2)cc1C(F)(F)F ZINC000165254462 562849937 /nfs/dbraw/zinc/84/99/37/562849937.db2.gz LQYXEGUUVQFZKV-UHFFFAOYSA-N 0 3 650.710 4.550 1 0 KJAFHN CN1CCC(N2CCN(c3nc(N)c4ncnc(Nc5cc(C(=O)Nc6cccc(C(F)(F)F)c6)ccc5Cl)c4n3)CC2)CC1 ZINC000165254957 562849921 /nfs/dbraw/zinc/84/99/21/562849921.db2.gz XZSWJGAGBXSEMP-UHFFFAOYSA-N 0 3 641.102 4.886 1 0 KJAFHN CN1CCC(N2CCN(c3nc(N)c4ncnc(Nc5cc(C(=O)Nc6cccc(C(F)(F)F)c6)ccc5Br)c4n3)CC2)CC1 ZINC000165255168 562849914 /nfs/dbraw/zinc/84/99/14/562849914.db2.gz PDUMTEQBZNDPMV-UHFFFAOYSA-N 0 3 685.553 4.995 1 0 KJAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCOCC3)nc12 ZINC000165256574 562849966 /nfs/dbraw/zinc/84/99/66/562849966.db2.gz QYMQBKDVUFOIHY-UHFFFAOYSA-N 0 3 638.699 4.550 1 0 KJAFHN Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CCN2CCCC2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000165268549 562850008 /nfs/dbraw/zinc/85/00/08/562850008.db2.gz WLRMBDVZTCUJEG-UHFFFAOYSA-N 0 3 648.816 4.586 1 0 KJAFHN CCN1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N6CCN(CCOC)CC6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000165275819 562850018 /nfs/dbraw/zinc/85/00/18/562850018.db2.gz ZCCFGHQSRJSABP-UHFFFAOYSA-N 0 3 678.764 4.653 1 0 KJAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3C[C@@H](C)N[C@H](C)C3)nc12 ZINC000166142588 562850329 /nfs/dbraw/zinc/85/03/29/562850329.db2.gz ALVBACAMOONEFJ-HZPDHXFCSA-N 0 3 551.577 4.512 1 0 KJAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3C[C@@H](C)N[C@@H](C)C3)nc12 ZINC000166142691 562850349 /nfs/dbraw/zinc/85/03/49/562850349.db2.gz ALVBACAMOONEFJ-IYBDPMFKSA-N 0 3 551.577 4.512 1 0 KJAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3C[C@H](C)N[C@@H](C)C3)nc12 ZINC000166142828 562850317 /nfs/dbraw/zinc/85/03/17/562850317.db2.gz ALVBACAMOONEFJ-HOTGVXAUSA-N 0 3 551.577 4.512 1 0 KJAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3C[C@H](C)NC[C@H]3C)nc12 ZINC000166164985 562850319 /nfs/dbraw/zinc/85/03/19/562850319.db2.gz VZJHMWFVFGQHII-JKSUJKDBSA-N 0 3 551.577 4.512 1 0 KJAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CCN(C)CC4)CC3)nc12 ZINC000166166057 562850339 /nfs/dbraw/zinc/85/03/39/562850339.db2.gz WJMYTVSWHGBDES-UHFFFAOYSA-N 0 3 620.684 4.541 1 0 KJAFHN CC(=O)Oc1cccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000166289831 562850406 /nfs/dbraw/zinc/85/04/06/562850406.db2.gz MIWWOUVUSPKSIQ-HSZRJFAPSA-N 0 3 515.050 4.933 1 0 KJAFHN COC(=O)c1cnn2cc(-c3ccc(F)cc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12 ZINC000166619579 562850443 /nfs/dbraw/zinc/85/04/43/562850443.db2.gz WKHSMMCSIFLZAK-UHFFFAOYSA-N 0 3 578.583 4.908 1 0 KJAFHN Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)c(C)n2n1 ZINC000166759398 562850511 /nfs/dbraw/zinc/85/05/11/562850511.db2.gz HQOKBRLITOLGHO-UHFFFAOYSA-N 0 3 513.609 4.855 1 0 KJAFHN Cc1nc2nc(-c3ccc(CN4CCC(c5nc(-c6cnccn6)n[nH]5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000166771996 562850503 /nfs/dbraw/zinc/85/05/03/562850503.db2.gz ZHLCALWRSVQDRX-UHFFFAOYSA-N 0 3 564.604 5.000 1 0 KJAFHN CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nccn21 ZINC000166799611 562850508 /nfs/dbraw/zinc/85/05/08/562850508.db2.gz HAYWLTZXUNDCPW-UHFFFAOYSA-N 0 3 513.609 4.885 1 0 KJAFHN Fc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)cc1 ZINC000166991986 562850545 /nfs/dbraw/zinc/85/05/45/562850545.db2.gz GJFXASSRDYLVRJ-UHFFFAOYSA-N 0 3 502.557 4.982 1 0 KJAFHN Nc1ncnc2c1cnn2C1CCN(Cc2ccc(-c3nc4ccnn4cc3-c3ccccc3)cc2)CC1 ZINC000167000485 562850584 /nfs/dbraw/zinc/85/05/84/562850584.db2.gz APLFHZQSXVXXNC-UHFFFAOYSA-N 0 3 501.598 4.622 1 0 KJAFHN OCc1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12 ZINC000167017066 562850633 /nfs/dbraw/zinc/85/06/33/562850633.db2.gz NKFREIUXOLOXHW-UHFFFAOYSA-N 0 3 550.573 4.613 1 0 KJAFHN COC(=O)c1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2n1 ZINC000167037761 562850594 /nfs/dbraw/zinc/85/05/94/562850594.db2.gz GCFYFGLETUUVLJ-UHFFFAOYSA-N 0 3 542.603 4.629 1 0 KJAFHN CSc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000167301068 562850691 /nfs/dbraw/zinc/85/06/91/562850691.db2.gz KXVGDOGLFUKMBR-UHFFFAOYSA-N 0 3 531.649 4.960 1 0 KJAFHN COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2c1CO ZINC000167320894 562850708 /nfs/dbraw/zinc/85/07/08/562850708.db2.gz POMKNVSPIRVORC-UHFFFAOYSA-N 0 3 580.599 4.622 1 0 KJAFHN COC(=O)c1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc2n1 ZINC000167411427 562850800 /nfs/dbraw/zinc/85/08/00/562850800.db2.gz GBFJUXFRUIRHLW-UHFFFAOYSA-N 0 3 556.630 4.938 1 0 KJAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1 ZINC000167965654 562851149 /nfs/dbraw/zinc/85/11/49/562851149.db2.gz JGFPNRKWSBOEHE-DEOSSOPVSA-N 0 3 511.651 4.806 1 0 KJAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)s4)c3)sc2C1 ZINC000167966054 562851187 /nfs/dbraw/zinc/85/11/87/562851187.db2.gz RVAAHISRUPOYKA-FQEVSTJZSA-N 0 3 517.680 4.868 1 0 KJAFHN Cc1nc(-c2ccncc2)sc1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N(C)C)CC3)c1 ZINC000167974750 562851220 /nfs/dbraw/zinc/85/12/20/562851220.db2.gz VWHRGYATTNGULG-FQEVSTJZSA-N 0 3 532.695 4.571 1 0 KJAFHN O=C(Nc1ccc(Br)cc1)[C@H]1[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H]2C=C[C@@H]1C21CC1 ZINC000168414837 562851379 /nfs/dbraw/zinc/85/13/79/562851379.db2.gz WHEKMIGHAYLVBB-BKKFENPESA-N 0 3 534.498 4.997 1 0 KJAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCN(C)CC1 ZINC000169290805 562851807 /nfs/dbraw/zinc/85/18/07/562851807.db2.gz ZCDDSAFCVJQEDO-ISKFKSNPSA-N 0 3 541.705 4.774 1 0 KJAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCOCC1 ZINC000169293576 562852115 /nfs/dbraw/zinc/85/21/15/562852115.db2.gz ZHUCRPJJILDDBD-FYYLOGMGSA-N 0 3 528.662 4.859 1 0 KJAFHN CC1=N[C@@H]2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc65)n4C)CCC3=C[C@@H]2O1 ZINC000169302753 562853103 /nfs/dbraw/zinc/85/31/03/562853103.db2.gz UWMNNXYMOFTXGP-FTJBHMTQSA-N 0 3 500.672 4.969 1 0 KJAFHN CC1=N[C@H]2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc65)n4C)CCC3=C[C@@H]2O1 ZINC000169302756 562853109 /nfs/dbraw/zinc/85/31/09/562853109.db2.gz UWMNNXYMOFTXGP-UIOOFZCWSA-N 0 3 500.672 4.969 1 0 KJAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307079 562853682 /nfs/dbraw/zinc/85/36/82/562853682.db2.gz GHNOAVACUUOLQQ-DIPNUNPCSA-N 0 3 757.983 4.514 1 0 KJAFHN CN(C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307080 562853687 /nfs/dbraw/zinc/85/36/87/562853687.db2.gz GHNOAVACUUOLQQ-QNGWXLTQSA-N 0 3 757.983 4.514 1 0 KJAFHN CCOC(=O)N1CCN(CCC(=O)Nc2cccc(Oc3nc(Nc4ccc(N5CCN(C)CC5)cc4OC)ncc3Cl)c2)CC1 ZINC000169310615 562854910 /nfs/dbraw/zinc/85/49/10/562854910.db2.gz YSRRCEKEYXILID-UHFFFAOYSA-N 0 3 653.184 4.529 1 0 KJAFHN O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCCN2C[C@@H](CC2CCCCC2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000169311273 562855106 /nfs/dbraw/zinc/85/51/06/562855106.db2.gz RNBZJLOFSRJJMQ-RUPCYPOASA-N 0 3 733.954 4.590 1 0 KJAFHN O=C(/C=C/CN1CCC2(CC1)OCCO2)Nc1cc2c(ncnc2Nc2ccc(F)c(Cl)c2)s1 ZINC000169311850 562855237 /nfs/dbraw/zinc/85/52/37/562855237.db2.gz ALIUINIUQNOYBC-OWOJBTEDSA-N 0 3 503.987 4.561 1 0 KJAFHN C[NH+](C)CCCn1c2ccccc2c([O-])c(CCCCCCCN2CCN(c3ccccc3)CC2)c1=O ZINC000169317058 562855895 /nfs/dbraw/zinc/85/58/95/562855895.db2.gz GFTUGFHESIPVDM-MUUNZHRXSA-N 0 3 504.719 4.947 1 0 KJAFHN C[NH+](C)CCCn1c2ccccc2c([O-])c(CCCCCCCN2CCN(c3ccccc3)CC2)c1=O ZINC000169317059 562855891 /nfs/dbraw/zinc/85/58/91/562855891.db2.gz GFTUGFHESIPVDM-NDEPHWFRSA-N 0 3 504.719 4.947 1 0 KJAFHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169320853 562856491 /nfs/dbraw/zinc/85/64/91/562856491.db2.gz BSIVEGWCFQNLBW-GILJNRBMSA-N 0 3 593.728 4.521 1 0 KJAFHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321167 562856554 /nfs/dbraw/zinc/85/65/54/562856554.db2.gz QUFNGLXKWQYXGG-MHDHXZMLSA-N 0 3 593.728 4.521 1 0 KJAFHN COc1cc2cccnc2c(NCCCN2CCN(CCCNc3cc(OC)cc4cccnc43)CC2)c1 ZINC000169322725 562856857 /nfs/dbraw/zinc/85/68/57/562856857.db2.gz USQURGGLRHFKFN-UHFFFAOYSA-N 0 3 514.674 4.722 1 0 KJAFHN O=C1C2ON(c3ccccc3)[C@H](c3coc4ccc(Br)cc4c3=O)[C@H]2C(=O)N1c1ccccc1 ZINC000169327156 562858024 /nfs/dbraw/zinc/85/80/24/562858024.db2.gz XGGAHKTYOICZKD-AKFKNWHVSA-N 0 3 517.335 4.607 1 0 KJAFHN O=C1CC[C@](CCN2CC(N3CCC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000169330578 562858750 /nfs/dbraw/zinc/85/87/50/562858750.db2.gz NEPOEDGBXWMAGJ-UFHPHHKVSA-N 0 3 516.513 4.585 1 0 KJAFHN CCNC(=O)C1(Nc2nc(NCCc3ccc(Cl)c(Cl)c3)nc(N3CCCC3)n2)Cc2ccccc2C1 ZINC000169330967 562858869 /nfs/dbraw/zinc/85/88/69/562858869.db2.gz JQMVIRYMEBHHLH-UHFFFAOYSA-N 0 3 540.499 4.519 1 0 KJAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4cc5ccccc5s4)N4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000169330990 562858804 /nfs/dbraw/zinc/85/88/04/562858804.db2.gz NSOPRCNUTOWNNJ-MMZDRVSHSA-N 0 3 588.774 4.923 1 0 KJAFHN CCCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 ZINC000169331027 562858879 /nfs/dbraw/zinc/85/88/79/562858879.db2.gz UPZXWEJIJAQUBN-JYFHCDHNSA-N 0 3 542.684 4.632 1 0 KJAFHN Cc1ncccc1-c1nc2cn(-c3cccc(OC(C)C)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1 ZINC000169331029 562858894 /nfs/dbraw/zinc/85/88/94/562858894.db2.gz OUBJWZUHGDDBFH-JYFHCDHNSA-N 0 3 542.684 4.631 1 0 KJAFHN CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc([O-])c4[nH]c(=O)ccc34)cc2)cc1 ZINC000169332037 562859085 /nfs/dbraw/zinc/85/90/85/562859085.db2.gz ABNDMYBELMAXRP-NDEPHWFRSA-N 0 3 574.678 4.747 1 0 KJAFHN O=C(NCCOc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc([O-])c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 ZINC000169332150 562859111 /nfs/dbraw/zinc/85/91/11/562859111.db2.gz MAGFMLFJHURCEK-HKBQPEDESA-N 0 3 578.669 4.652 1 0 KJAFHN COc1ccccc1N1CCN(CCCCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1 ZINC000169332684 562859184 /nfs/dbraw/zinc/85/91/84/562859184.db2.gz HNFWRWQITYFMNA-UHFFFAOYSA-N 0 3 532.110 4.580 1 0 KJAFHN CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000169340500 562860630 /nfs/dbraw/zinc/86/06/30/562860630.db2.gz XHOPKPACQVDKTO-SMASLZHESA-N 0 3 509.434 4.731 1 0 KJAFHN CCOc1cc(F)c(Cn2nc(-c3ncc(OCCN(C)C)c(Nc4ccncc4)n3)c3c2CCC3)c(F)c1 ZINC000169341683 562860890 /nfs/dbraw/zinc/86/08/90/562860890.db2.gz HDLPONLLJOSAIM-UHFFFAOYSA-N 0 3 535.599 4.633 1 0 in-vitro KJAFHN CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](C3CC3)C2)c(Cl)c1 ZINC000169344685 562861460 /nfs/dbraw/zinc/86/14/60/562861460.db2.gz BNSISGSQGFUVIN-RUZDIDTESA-N 0 3 534.507 4.842 1 0 KJAFHN CN(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348469 562862233 /nfs/dbraw/zinc/86/22/33/562862233.db2.gz XQPPQWUHFWQARK-YTTGMZPUSA-N 0 3 655.840 4.738 1 0 KJAFHN CC[C@@H](C)N(C(=O)[C@@H](N)Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348473 562862299 /nfs/dbraw/zinc/86/22/99/562862299.db2.gz RAQCDDGDQCPLGP-VIZCGCQYSA-N 0 3 526.725 4.535 1 0 KJAFHN CC[C@H](C)N(C(=O)[C@@H](N)Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348474 562862320 /nfs/dbraw/zinc/86/23/20/562862320.db2.gz RAQCDDGDQCPLGP-YZNIXAGQSA-N 0 3 526.725 4.535 1 0 KJAFHN CC[C@@H](C)N(C(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348482 562862276 /nfs/dbraw/zinc/86/22/76/562862276.db2.gz WXDAEGWUIVGILK-NSJVFKKDSA-N 0 3 642.797 4.823 1 0 KJAFHN CC[C@H](C)N(C(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348484 562862286 /nfs/dbraw/zinc/86/22/86/562862286.db2.gz WXDAEGWUIVGILK-IUDBTDONSA-N 0 3 642.797 4.823 1 0 KJAFHN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C1CC1)C1(C(=O)NC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC000169348496 562862304 /nfs/dbraw/zinc/86/23/04/562862304.db2.gz SBNLYHUIKQZCJC-RDGATRHJSA-N 0 3 542.765 4.866 1 0 KJAFHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169352788 562863249 /nfs/dbraw/zinc/86/32/49/562863249.db2.gz LZXMRGKFXNSDEK-HKBQPEDESA-N 0 3 642.797 4.823 1 0 KJAFHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NC2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000169352802 562863202 /nfs/dbraw/zinc/86/32/02/562863202.db2.gz OYTCRPICGSAMNC-PMERELPUSA-N 0 3 634.818 4.955 1 0 KJAFHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169352804 562863197 /nfs/dbraw/zinc/86/31/97/562863197.db2.gz VJVZWYZYRMKOCG-HKBQPEDESA-N 0 3 660.787 4.962 1 0 KJAFHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cc(OC)c(OC)c(OC)c1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169352805 562863232 /nfs/dbraw/zinc/86/32/32/562863232.db2.gz LLRSVWVZMHKTFZ-HKBQPEDESA-N 0 3 732.875 4.849 1 0 KJAFHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169352806 562863240 /nfs/dbraw/zinc/86/32/40/562863240.db2.gz CEWULHKLMKUQOY-YTTGMZPUSA-N 0 3 671.839 4.735 1 0 KJAFHN COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169355219 562863728 /nfs/dbraw/zinc/86/37/28/562863728.db2.gz JEOHSRSFZWJSOZ-HZFUHODCSA-N 0 3 504.631 4.573 1 0 KJAFHN COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169355221 562863720 /nfs/dbraw/zinc/86/37/20/562863720.db2.gz JEOHSRSFZWJSOZ-KCHLEUMXSA-N 0 3 504.631 4.573 1 0 KJAFHN CCCN1CC[C@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000169358807 562864030 /nfs/dbraw/zinc/86/40/30/562864030.db2.gz JGMQOJSHZALBEB-SVBPBHIXSA-N 0 3 634.769 4.544 1 0 KJAFHN CCn1c(N2CCN(CCCN3CCOCC3)CC2)nc2c1c(Br)c(Br)c(Br)c2Br ZINC000169697609 562866531 /nfs/dbraw/zinc/86/65/31/562866531.db2.gz MODSLCFRPKPSMJ-UHFFFAOYSA-N 0 3 673.086 4.951 1 0 KJAFHN CC(C)(O)Cc1cccc(CC(=O)Nc2nnc(CCCCC(=N)CCC(=N)NC(=O)Cc3ccccc3)s2)c1 ZINC000169698431 562867268 /nfs/dbraw/zinc/86/72/68/562867268.db2.gz MJAPRGDQVXEQBO-UHFFFAOYSA-N 0 3 562.740 4.882 1 0 KJAFHN CC(C)CNC(=O)Cc1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698435 562867252 /nfs/dbraw/zinc/86/72/52/562867252.db2.gz WIMHCVLGCFQVGD-UHFFFAOYSA-N 0 3 603.793 4.883 1 0 KJAFHN CN1CCC(Oc2cccc(CC(=O)Nc3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2)CC1 ZINC000169698467 562867282 /nfs/dbraw/zinc/86/72/82/562867282.db2.gz PCLNYVZZJBNCKG-UHFFFAOYSA-N 0 3 599.761 4.729 1 0 KJAFHN O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc4c3CNC4)nn2)s1 ZINC000169698672 562867458 /nfs/dbraw/zinc/86/74/58/562867458.db2.gz ABLRXHMOFAHQKI-UHFFFAOYSA-N 0 3 611.650 4.758 1 0 KJAFHN O=C(NC1CCC(O)CC1)[C@@H]1NC2(CCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700234 562867667 /nfs/dbraw/zinc/86/76/67/562867667.db2.gz HQXQIUHXDOQUSV-NVCNRFTOSA-N 0 3 546.470 4.811 1 0 KJAFHN CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NCc2ccc(Br)cc2)c1 ZINC000169700715 562867756 /nfs/dbraw/zinc/86/77/56/562867756.db2.gz ZYJPIJHRIXUYCK-HSZRJFAPSA-N 0 3 519.447 4.818 1 0 KJAFHN CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NCc2ccc(Br)cc2)c1 ZINC000169700716 562867752 /nfs/dbraw/zinc/86/77/52/562867752.db2.gz ZYJPIJHRIXUYCK-QHCPKHFHSA-N 0 3 519.447 4.818 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@](C)(O)C2)[C@H](c2cccc(Cl)c2F)[C@]12c1ccc(Cl)cc1NC2=O ZINC000169701396 562867988 /nfs/dbraw/zinc/86/79/88/562867988.db2.gz MZBOZBMARIQZGX-YPZCAFDDSA-N 0 3 548.486 4.912 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000169701397 562868050 /nfs/dbraw/zinc/86/80/50/562868050.db2.gz CPVLFAPAIXRGNV-FJEPLBHZSA-N 0 3 564.048 4.927 1 0 KJAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)ccc12 ZINC000169701398 562868041 /nfs/dbraw/zinc/86/80/41/562868041.db2.gz WOBLKIIJUYHOLE-YJRDPZTCSA-N 0 3 546.058 4.788 1 0 KJAFHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(F)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000169701408 562868057 /nfs/dbraw/zinc/86/80/57/562868057.db2.gz YRDPNDOUYALHLI-AEPXTFJPSA-N 0 3 546.058 4.788 1 0 KJAFHN O=C(NC1CCC(O)CC1)[C@@H]1N[C@@H](c2ccccc2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1Cc1ccccc1 ZINC000169701413 562868066 /nfs/dbraw/zinc/86/80/66/562868066.db2.gz AYTRBAIVAGROLH-YUQYGQRHSA-N 0 3 530.068 4.522 1 0 KJAFHN CC(=O)Oc1cccc(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000169702053 562868137 /nfs/dbraw/zinc/86/81/37/562868137.db2.gz MIWWOUVUSPKSIQ-QHCPKHFHSA-N 0 3 515.050 4.933 1 0 KJAFHN CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(OC(C)(C)CN6CCC6)cn5)n4)c3CO)c2=O)c1 ZINC000169702088 562868165 /nfs/dbraw/zinc/86/81/65/562868165.db2.gz HODCAZYFXOTWNJ-UHFFFAOYSA-N 0 3 654.747 4.601 1 0 KJAFHN COc1ccc(Cc2c3c(nn2C)CCc2cnc(Nc4ccc(OCCN5CCCC5)cc4OC)nc2-3)cc1 ZINC000169702178 562868236 /nfs/dbraw/zinc/86/82/36/562868236.db2.gz MXPMEQZGCQSSAS-UHFFFAOYSA-N 0 3 540.668 4.802 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000169702189 562868288 /nfs/dbraw/zinc/86/82/88/562868288.db2.gz MYBWTFZFTXGPPN-UHFFFAOYSA-N 0 3 537.668 4.527 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702215 562868282 /nfs/dbraw/zinc/86/82/82/562868282.db2.gz ZTIPBSQJJXHPJD-UHFFFAOYSA-N 0 3 558.086 4.872 1 0 KJAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1CCc1ccccc1)CC2 ZINC000169702237 562868252 /nfs/dbraw/zinc/86/82/52/562868252.db2.gz SLRBLHYMKLTJNU-UHFFFAOYSA-N 0 3 524.669 4.988 1 0 KJAFHN COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccsc1)CC2 ZINC000169702294 562868325 /nfs/dbraw/zinc/86/83/25/562868325.db2.gz VVSOAAJBVBRVHC-UHFFFAOYSA-N 0 3 502.644 4.931 1 0 KJAFHN CCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)c(OC)c2)CC1 ZINC000169702368 562868340 /nfs/dbraw/zinc/86/83/40/562868340.db2.gz JAYCAJCVTCUERI-UHFFFAOYSA-N 0 3 537.668 4.609 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000169702371 562868330 /nfs/dbraw/zinc/86/83/30/562868330.db2.gz QKSPNSFOVCHSQS-UHFFFAOYSA-N 0 3 549.679 4.752 1 0 KJAFHN COc1cc(C(=O)NC2CC(N3CCN(C)CC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702402 562868308 /nfs/dbraw/zinc/86/83/08/562868308.db2.gz CWDNDGUIDCUMLW-UHFFFAOYSA-N 0 3 613.166 4.557 1 0 KJAFHN COc1cc(C(=O)NC2CCN(CCO)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702416 562868370 /nfs/dbraw/zinc/86/83/70/562868370.db2.gz WBTVURVTIMVIFX-IBGZPJMESA-N 0 3 602.139 4.796 1 0 KJAFHN COc1cc(C(=O)NC2CCN(CCO)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702417 562868393 /nfs/dbraw/zinc/86/83/93/562868393.db2.gz WBTVURVTIMVIFX-LJQANCHMSA-N 0 3 602.139 4.796 1 0 KJAFHN CN(C)CCNC(=O)c1cc2cccc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3ccccc3)CC4)c2s1 ZINC000169702433 562868400 /nfs/dbraw/zinc/86/84/00/562868400.db2.gz BBYBNRAEMZBSDI-UHFFFAOYSA-N 0 3 537.693 4.816 1 0 KJAFHN Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3C)nc1-2 ZINC000169702434 562868402 /nfs/dbraw/zinc/86/84/02/562868402.db2.gz VTWJLGPRGDZLLA-UHFFFAOYSA-N 0 3 521.669 4.827 1 0 KJAFHN COc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3C)nc1-2 ZINC000169702435 562868379 /nfs/dbraw/zinc/86/83/79/562868379.db2.gz VDHXGVKVHXVZBW-UHFFFAOYSA-N 0 3 537.668 4.527 1 0 KJAFHN COCCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3C)CC4)c(OC)c2)CC1 ZINC000169702442 562868365 /nfs/dbraw/zinc/86/83/65/562868365.db2.gz BMJFNGADMOIRNX-UHFFFAOYSA-N 0 3 581.721 4.544 1 0 KJAFHN Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CCN(CCO)CC4)cc3Cl)nc1-2 ZINC000169702460 562868377 /nfs/dbraw/zinc/86/83/77/562868377.db2.gz MRSLMMOKNFWTGL-UHFFFAOYSA-N 0 3 572.113 4.535 1 0 KJAFHN CCCn1nc2c(c1C(C)C)-c1nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc1CC2 ZINC000169702469 562868389 /nfs/dbraw/zinc/86/83/89/562868389.db2.gz BKRPVLNOVYQAPK-UHFFFAOYSA-N 0 3 517.678 4.548 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1sccc1Cl)CC2 ZINC000169702472 562868391 /nfs/dbraw/zinc/86/83/91/562868391.db2.gz OBTIDNGOTJPIQD-UHFFFAOYSA-N 0 3 564.115 4.934 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1Cl)CC2 ZINC000169702474 562868386 /nfs/dbraw/zinc/86/83/86/562868386.db2.gz MIQGCLFTFBPPDY-UHFFFAOYSA-N 0 3 572.113 4.796 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1sccc1C)CC2 ZINC000169702476 562868431 /nfs/dbraw/zinc/86/84/31/562868431.db2.gz GCYGBZNCJTWRFX-UHFFFAOYSA-N 0 3 543.697 4.589 1 0 KJAFHN COCCOc1cc(CC2CCN(CCc3ccc4occ(O)c(=O)c4c3)CC2)ccc1Br ZINC000169703931 562868889 /nfs/dbraw/zinc/86/88/89/562868889.db2.gz RYTARPUUWKIZPO-UHFFFAOYSA-N 0 3 516.432 4.784 1 0 KJAFHN CCN(c1ccccc1Oc1nc(Nc2cc(F)c(C(=O)NC3CCN(C)CC3)cc2OC)ncc1C(F)(F)F)S(C)(=O)=O ZINC000169703985 562868927 /nfs/dbraw/zinc/86/89/27/562868927.db2.gz XLKPLMDUGLTRAC-UHFFFAOYSA-N 0 3 640.660 4.789 1 0 KJAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)NC(C)(C)CO3)n1 ZINC000169707557 562870040 /nfs/dbraw/zinc/87/00/40/562870040.db2.gz WFKSQWCTSBEPMJ-UHFFFAOYSA-N 0 3 632.615 4.904 1 0 KJAFHN Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711424 562870920 /nfs/dbraw/zinc/87/09/20/562870920.db2.gz GWNNRGKGVWBTPA-UHFFFAOYSA-N 0 3 510.432 4.762 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc([C@@H]5CCNC[C@@H]5F)cc4)c3)c(OC)cc21 ZINC000169711493 562870910 /nfs/dbraw/zinc/87/09/10/562870910.db2.gz KXHGAMISYFRADR-VXKWHMMOSA-N 0 3 517.561 4.692 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc([C@H]5CCNC[C@@H]5F)cc4)c3)c(OC)cc21 ZINC000169711494 562870908 /nfs/dbraw/zinc/87/09/08/562870908.db2.gz KXHGAMISYFRADR-YADHBBJMSA-N 0 3 517.561 4.692 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc([C@@H]5CCNC[C@H]5F)cc4)c3)c(OC)cc21 ZINC000169711495 562870961 /nfs/dbraw/zinc/87/09/61/562870961.db2.gz KXHGAMISYFRADR-FCHUYYIVSA-N 0 3 517.561 4.692 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc([C@H]5CCNC[C@H]5F)cc4)c3)c(OC)cc21 ZINC000169711496 562870950 /nfs/dbraw/zinc/87/09/50/562870950.db2.gz KXHGAMISYFRADR-FGZHOGPDSA-N 0 3 517.561 4.692 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)c(OC(F)F)cc21 ZINC000169711509 562870942 /nfs/dbraw/zinc/87/09/42/562870942.db2.gz YDBBVFOJFBRLOV-UHFFFAOYSA-N 0 3 565.577 4.827 1 0 KJAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CCO)CC3)cc2)c1 ZINC000169711515 562870963 /nfs/dbraw/zinc/87/09/63/562870963.db2.gz ZMIXKUDAIPIMBU-UHFFFAOYSA-N 0 3 601.704 4.855 1 0 KJAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC[C@H]3CO)cc2)c1 ZINC000169711520 562870992 /nfs/dbraw/zinc/87/09/92/562870992.db2.gz RKZNMCJGQKIGHN-VWLOTQADSA-N 0 3 587.677 4.640 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(OC5CCN(C[C@H](C)O)CC5)cc4)c3)c(OC)cc21 ZINC000169711531 562871048 /nfs/dbraw/zinc/87/10/48/562871048.db2.gz MPVUUYITNWDIGM-FQEVSTJZSA-N 0 3 573.650 4.501 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(OC5CCN(C[C@@H](C)O)CC5)cc4)c3)c(OC)cc21 ZINC000169711543 562871003 /nfs/dbraw/zinc/87/10/03/562871003.db2.gz MPVUUYITNWDIGM-HXUWFJFHSA-N 0 3 573.650 4.501 1 0 KJAFHN CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CCO)CC3)cc2)c1 ZINC000169711555 562871044 /nfs/dbraw/zinc/87/10/44/562871044.db2.gz IVJUXHAWCBMHRE-UHFFFAOYSA-N 0 3 557.651 4.839 1 0 KJAFHN CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000169711557 562871042 /nfs/dbraw/zinc/87/10/42/562871042.db2.gz HWLAELCIMADXJD-UHFFFAOYSA-N 0 3 543.624 4.624 1 0 KJAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC[C@@H]3CO)cc2)c1 ZINC000169711591 562871076 /nfs/dbraw/zinc/87/10/76/562871076.db2.gz RKZNMCJGQKIGHN-RUZDIDTESA-N 0 3 587.677 4.640 1 0 KJAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCN(CC)CC3)cc2)c1 ZINC000169711602 562871072 /nfs/dbraw/zinc/87/10/72/562871072.db2.gz GZQQOPBZCXQJAS-UHFFFAOYSA-N 0 3 600.720 4.821 1 0 KJAFHN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000169711605 562871087 /nfs/dbraw/zinc/87/10/87/562871087.db2.gz AAWYLDWQSWYFGG-UHFFFAOYSA-N 0 3 587.677 4.640 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC[C@@H]5CO)cc4)c3)c(OCCCOC)cc21 ZINC000169711606 562871090 /nfs/dbraw/zinc/87/10/90/562871090.db2.gz GJLGXSBRASRPQZ-RUZDIDTESA-N 0 3 587.677 4.640 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC[C@H]5CO)cc4)c3)c(OCCCOC)cc21 ZINC000169711607 562871079 /nfs/dbraw/zinc/87/10/79/562871079.db2.gz GJLGXSBRASRPQZ-VWLOTQADSA-N 0 3 587.677 4.640 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711612 562871101 /nfs/dbraw/zinc/87/11/01/562871101.db2.gz OCPSATOVPSJAKW-UHFFFAOYSA-N 0 3 587.677 4.640 1 0 KJAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711618 562871130 /nfs/dbraw/zinc/87/11/30/562871130.db2.gz ALQGFHTZEZDEHV-UHFFFAOYSA-N 0 3 601.704 4.855 1 0 KJAFHN CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000198059730 562872638 /nfs/dbraw/zinc/87/26/38/562872638.db2.gz CDVZHXHORLPPIL-UHFFFAOYSA-N 0 3 679.870 4.698 1 0 KJAFHN CCN1c2ccc(OCCCN(CCc3cccnc3)Cc3ccncc3)cc2N(CC)C(=O)C(C)(C)C1=O ZINC000198468552 562872722 /nfs/dbraw/zinc/87/27/22/562872722.db2.gz ILNOCUPRGROOMO-UHFFFAOYSA-N 0 3 529.685 4.736 1 0 KJAFHN CCCN1c2ccc(OCCCN(CCc3cccnc3)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000198497760 562872753 /nfs/dbraw/zinc/87/27/53/562872753.db2.gz IDYZARHVKIZPOP-UHFFFAOYSA-N 0 3 529.685 4.736 1 0 KJAFHN Cc1ccc(-n2cc(-c3ccc(CN4CCN(C)CC4)cc3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000199413148 562872952 /nfs/dbraw/zinc/87/29/52/562872952.db2.gz HUUXFODVIYBEJN-UHFFFAOYSA-N 0 3 517.641 4.586 1 0 KJAFHN Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCOC2CCN(C)CC2)cc1Cl ZINC000199936765 562873179 /nfs/dbraw/zinc/87/31/79/562873179.db2.gz PGRFAUBJFXTXLR-UHFFFAOYSA-N 0 3 539.476 4.805 1 0 KJAFHN Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)cccc1N1Cc2ccc(C(C)(C)C)cc2C1=O ZINC000199972459 562873186 /nfs/dbraw/zinc/87/31/86/562873186.db2.gz LNTTWCMWTOIRLF-UHFFFAOYSA-N 0 3 523.641 4.589 1 0 KJAFHN CN(C)CCN(C)C(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc32)c(NC2CCOCC2)c1 ZINC000200762705 562873399 /nfs/dbraw/zinc/87/33/99/562873399.db2.gz ZIPMVFDKNBGKAT-UHFFFAOYSA-N 0 3 590.675 4.909 1 0 KJAFHN COc1cc2c(cc1[C@@H](C)N1CCN(C(C)(C)C)CC1)-c1nc(-c3nc(C)nn3C(C)C)cn1CCO2 ZINC000204425205 562874464 /nfs/dbraw/zinc/87/44/64/562874464.db2.gz PGCKRQJTWQLDQT-LJQANCHMSA-N 0 3 507.683 4.576 1 0 KJAFHN COc1cc2c(cc1[C@H](C)N1CCN(C(C)(C)C)CC1)-c1nc(-c3nc(C)nn3C(C)C)cn1CCO2 ZINC000204426326 562874445 /nfs/dbraw/zinc/87/44/45/562874445.db2.gz PGCKRQJTWQLDQT-IBGZPJMESA-N 0 3 507.683 4.576 1 0 KJAFHN Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4CCCCN4CC(C)(C)O)cc2OCC3)n(C(C)C)n1 ZINC000204428231 562874515 /nfs/dbraw/zinc/87/45/15/562874515.db2.gz JHJGKQOZWSRWDP-VWLOTQADSA-N 0 3 544.704 4.789 1 0 KJAFHN Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4CCCCN4CC(C)(C)O)cc2OCC3)n(C(C)C)n1 ZINC000204428243 562874545 /nfs/dbraw/zinc/87/45/45/562874545.db2.gz JHJGKQOZWSRWDP-RUZDIDTESA-N 0 3 544.704 4.789 1 0 KJAFHN CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(OCc2ccccn2)cc1 ZINC000205294749 562875020 /nfs/dbraw/zinc/87/50/20/562875020.db2.gz HOXZIBBLGAMPOL-COIATFDQSA-N 0 3 540.624 4.571 1 0 KJAFHN COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12 ZINC000205492237 562875441 /nfs/dbraw/zinc/87/54/41/562875441.db2.gz NCEHBUWMPOLOKS-UHFFFAOYSA-N 0 3 578.583 4.908 1 0 KJAFHN CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5cccc(C)n5)n4)C3)cc2)nc2nc(C)nn21 ZINC000205498113 562875522 /nfs/dbraw/zinc/87/55/22/562875522.db2.gz INERYAOKFWMZAQ-UHFFFAOYSA-N 0 3 542.651 4.896 1 0 KJAFHN CCN(c1cc(-c2ccc(CN3CC(CN4CCOCC4)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205715158 562875767 /nfs/dbraw/zinc/87/57/67/562875767.db2.gz VAYPWGSWMNZJRR-UHFFFAOYSA-N 0 3 641.857 4.666 1 0 KJAFHN CCN(c1cc(-c2ccc(CN3CCC[C@@H](O)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205715440 562875798 /nfs/dbraw/zinc/87/57/98/562875798.db2.gz AIQVGFUSSVRXFY-SSEXGKCCSA-N 0 3 586.777 4.859 1 0 KJAFHN CCN(c1cc(-c2ccc(CN3CCN(C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205715844 562875782 /nfs/dbraw/zinc/87/57/82/562875782.db2.gz ABJILWSDTPZUCV-UHFFFAOYSA-N 0 3 585.793 4.650 1 0 KJAFHN CC(C)c1ccc(CO[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2Nc2nc3ccc(F)cc3[nH]2)cc1 ZINC000206740264 562876550 /nfs/dbraw/zinc/87/65/50/562876550.db2.gz MLCCBLUSPKCWEX-UIOOFZCWSA-N 0 3 508.619 4.896 1 0 KJAFHN COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)N)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 ZINC000209610717 562876934 /nfs/dbraw/zinc/87/69/34/562876934.db2.gz OMEYXMRIYJZPAD-AJQTZOPKSA-N 0 3 632.769 4.855 1 0 KJAFHN COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCN1CCCCC1)c2=O ZINC000209653844 562876952 /nfs/dbraw/zinc/87/69/52/562876952.db2.gz MGUJBTOUQWMRGK-UHFFFAOYSA-N 0 3 513.587 4.758 1 0 KJAFHN O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Br)cc3)CC2)cc1 ZINC000213924758 562877257 /nfs/dbraw/zinc/87/72/57/562877257.db2.gz QTCOOXCCPGHCLB-UHFFFAOYSA-N 0 3 504.428 4.610 1 0 KJAFHN COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(N4CCC([C@H](C)[NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000215726978 562877401 /nfs/dbraw/zinc/87/74/01/562877401.db2.gz NWQYAEIPDPFWGB-INIZCTEOSA-N 0 3 518.079 4.839 1 0 KJAFHN COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(N4CCC([C@@H](C)[NH+](C)C)CC4)c3c2)cc(Cl)c1[O-] ZINC000215727026 562877444 /nfs/dbraw/zinc/87/74/44/562877444.db2.gz NWQYAEIPDPFWGB-MRXNPFEDSA-N 0 3 518.079 4.839 1 0 KJAFHN NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(c5nc6ccc(C(F)(F)F)cc6[nH]5)CC4)c3c2)cc1 ZINC000219133320 562877971 /nfs/dbraw/zinc/87/79/71/562877971.db2.gz DOXWHYMZHOVNSW-UHFFFAOYSA-N 0 3 612.634 4.611 1 0 KJAFHN NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(c5nc6cc(C(F)(F)F)ccc6[nH]5)CC4)c3c2)cc1 ZINC000219133320 562877970 /nfs/dbraw/zinc/87/79/70/562877970.db2.gz DOXWHYMZHOVNSW-UHFFFAOYSA-N 0 3 612.634 4.611 1 0 KJAFHN C=CC(=O)Nc1cc(Nc2ncc(C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C ZINC000219427908 562878205 /nfs/dbraw/zinc/87/82/05/562878205.db2.gz FCHHBDZWKNCHCB-UHFFFAOYSA-N 0 3 513.646 4.818 1 0 KJAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5[nH]c(=O)ccc5c4)c3)sc2C1 ZINC000220422015 562878469 /nfs/dbraw/zinc/87/84/69/562878469.db2.gz CAMKYGYFISUSIX-WIOPSUGQSA-N 0 3 541.677 4.633 1 0 KJAFHN N[C@H](C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)[C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000222624903 562879869 /nfs/dbraw/zinc/87/98/69/562879869.db2.gz OUUHZXOSBUCFJO-ZKBLBJRCSA-N 0 3 674.042 4.828 1 0 in-vitro KJAFHN COc1cc(-c2nn([C@H]3CC[C@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OCc1ccccc1 ZINC000253633952 562882150 /nfs/dbraw/zinc/88/21/50/562882150.db2.gz LGMDJFPPNVPECO-RQNOJGIXSA-N 0 3 570.698 4.564 1 0 KJAFHN COc1cc(-c2nn([C@H]3CC[C@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2o1 ZINC000253634472 562882207 /nfs/dbraw/zinc/88/22/07/562882207.db2.gz NYQWECLBSROSIH-YHBQERECSA-N 0 3 580.693 4.814 1 0 KJAFHN Nc1nc(-c2ccc(NC(=O)c3cc(I)c(I)c(I)c3)cc2)c[nH]1 ZINC000299824039 562883144 /nfs/dbraw/zinc/88/31/44/562883144.db2.gz AHOMKFNVBWQOFF-UHFFFAOYSA-N 0 3 656.003 4.725 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299824621 562883338 /nfs/dbraw/zinc/88/33/38/562883338.db2.gz BNPMHIJZHNZZMT-UHFFFAOYSA-N 0 3 554.695 4.889 1 0 KJAFHN CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000299824653 562883297 /nfs/dbraw/zinc/88/32/97/562883297.db2.gz IGVSACHTDTWMFF-UHFFFAOYSA-N 0 3 538.714 4.608 1 0 KJAFHN O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c[nH]c2ccccc12 ZINC000299824713 562883395 /nfs/dbraw/zinc/88/33/95/562883395.db2.gz IPUUUFHWLOIYHC-UHFFFAOYSA-N 0 3 508.688 4.884 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCC[C@@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299825569 562883619 /nfs/dbraw/zinc/88/36/19/562883619.db2.gz CSYLHEUBOVRMNX-AREMUKBSSA-N 0 3 566.706 4.986 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCC[C@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299825575 562883632 /nfs/dbraw/zinc/88/36/32/562883632.db2.gz CSYLHEUBOVRMNX-SANMLTNESA-N 0 3 566.706 4.986 1 0 KJAFHN CN(C)Cc1c2ccccc2[nH]c1C(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1 ZINC000299825980 562883747 /nfs/dbraw/zinc/88/37/47/562883747.db2.gz DKBPQSXNYNGHQK-UHFFFAOYSA-N 0 3 559.681 4.668 1 0 KJAFHN O=C(Nc1cnn(-c2cccc(C(=O)Nc3cnn(CCN4CCCC4)c3)c2)c1)Nc1ccccc1Cl ZINC000299828055 562884346 /nfs/dbraw/zinc/88/43/46/562884346.db2.gz GRSJRAKNDSATJE-UHFFFAOYSA-N 0 3 519.009 4.714 1 0 KJAFHN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1coc2ccccc21)C(C)(C)C ZINC000299829149 562884751 /nfs/dbraw/zinc/88/47/51/562884751.db2.gz TZAVMJGVUGYHSY-DRVLFKHUSA-N 0 3 541.733 4.822 1 0 KJAFHN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](NC)C(C)(C)c1coc2ccccc21)C(C)(C)C ZINC000299829155 562884731 /nfs/dbraw/zinc/88/47/31/562884731.db2.gz TZAVMJGVUGYHSY-ZAATUOQDSA-N 0 3 541.733 4.822 1 0 KJAFHN O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1NC2(CCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000299829561 562884892 /nfs/dbraw/zinc/88/48/92/562884892.db2.gz HQXQIUHXDOQUSV-XLKFOPSHSA-N 0 3 546.470 4.811 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN4CCCC4)c4ccc(C)cc34)cc2)c1C ZINC000299830213 562885116 /nfs/dbraw/zinc/88/51/16/562885116.db2.gz LQVZQNGIKHQFKD-UHFFFAOYSA-N 0 3 554.695 4.891 1 0 KJAFHN COCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(C)(C)C)c3)cc2)C(=O)NCCN(C)C)ccc1OC ZINC000299830310 562885214 /nfs/dbraw/zinc/88/52/14/562885214.db2.gz IHFLSIHUBSRYQL-GDLZYMKVSA-N 0 3 545.724 4.825 1 0 KJAFHN COCc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(C)(C)C)c3)cc2)C(=O)NCCN(C)C)ccc1OC ZINC000299830314 562885244 /nfs/dbraw/zinc/88/52/44/562885244.db2.gz IHFLSIHUBSRYQL-LJAQVGFWSA-N 0 3 545.724 4.825 1 0 KJAFHN CCN(CC)Cc1ccc(CN[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)o1 ZINC000299831907 562885742 /nfs/dbraw/zinc/88/57/42/562885742.db2.gz OWCXZPQUOUQHDF-VQCLQPKNSA-N 0 3 578.662 4.642 1 0 KJAFHN CN(C)CCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299832756 562885903 /nfs/dbraw/zinc/88/59/03/562885903.db2.gz STBSRJGCECMKQQ-UHFFFAOYSA-N 0 3 569.533 4.896 1 0 KJAFHN O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1)c1c[nH]c2ccccc12 ZINC000299832773 562885937 /nfs/dbraw/zinc/88/59/37/562885937.db2.gz VVFFPDSUQFEWIR-UHFFFAOYSA-N 0 3 516.667 4.752 1 0 KJAFHN CN(C)CCNC(=O)[C@@H](Cc1ccc(-c2cc(C(F)(F)F)nn2C)cc1)NC(=O)c1ccccc1OCc1ccccc1 ZINC000299834286 562886437 /nfs/dbraw/zinc/88/64/37/562886437.db2.gz LEAFRVMELBUZIA-AREMUKBSSA-N 0 3 593.650 4.704 1 0 KJAFHN CN(C)CCNC(=O)[C@H](Cc1ccc(-c2cc(C(F)(F)F)nn2C)cc1)NC(=O)c1ccccc1OCc1ccccc1 ZINC000299834287 562886430 /nfs/dbraw/zinc/88/64/30/562886430.db2.gz LEAFRVMELBUZIA-SANMLTNESA-N 0 3 593.650 4.704 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@H]4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299834730 562886549 /nfs/dbraw/zinc/88/65/49/562886549.db2.gz VHCHHMQCTCIXEB-DEOSSOPVSA-N 0 3 554.695 4.889 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@@H]4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299834735 562886535 /nfs/dbraw/zinc/88/65/35/562886535.db2.gz VHCHHMQCTCIXEB-XMMPIXPASA-N 0 3 554.695 4.889 1 0 KJAFHN CNc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccccc5Cl)CC4)CC3)cc2)cs1 ZINC000299835021 562886725 /nfs/dbraw/zinc/88/67/25/562886725.db2.gz VDHDNMNYXSXPRO-UHFFFAOYSA-N 0 3 539.193 4.878 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@H]5CCN(C)[C@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299835528 562886867 /nfs/dbraw/zinc/88/68/67/562886867.db2.gz WHTRZVJUZVJLBS-DJUQAAIZSA-N 0 3 566.706 4.841 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@H]5[C@@H](CCN5C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299835530 562886889 /nfs/dbraw/zinc/88/68/89/562886889.db2.gz WHTRZVJUZVJLBS-JHOBJCJYSA-N 0 3 566.706 4.841 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@H]5CCN(C)[C@@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299835534 562886896 /nfs/dbraw/zinc/88/68/96/562886896.db2.gz WHTRZVJUZVJLBS-WVXBCFDCSA-N 0 3 566.706 4.841 1 0 KJAFHN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5CCN(C)[C@@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299835537 562886870 /nfs/dbraw/zinc/88/68/70/562886870.db2.gz WHTRZVJUZVJLBS-YUDQIZAISA-N 0 3 566.706 4.841 1 0 KJAFHN CC(C)[C@H](N)C(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1 ZINC000299836195 562887047 /nfs/dbraw/zinc/88/70/47/562887047.db2.gz MVMGHPHRNLHXAW-NRFANRHFSA-N 0 3 517.055 4.721 1 0 KJAFHN COc1cc(/C=C/c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)c(Br)c(OC)c1OC ZINC000299836925 562887316 /nfs/dbraw/zinc/88/73/16/562887316.db2.gz IPSUDDCQZIINEH-BQYQJAHWSA-N 0 3 566.430 4.775 1 0 KJAFHN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)OC3CCCCC3)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)OCOC(=O)OC5CCCCC5)c4)C3)[C@H](C)[C@H]12 ZINC000299837849 562887650 /nfs/dbraw/zinc/88/76/50/562887650.db2.gz SBGYRXNMIJKTOY-XETGTQJKSA-N 0 3 787.885 4.745 1 0 KJAFHN CN(C)CCNC(=O)[C@@H](Cc1ccc(-c2cn3ccccc3n2)cc1)NC(=O)c1ccccc1OCc1ccccc1 ZINC000299838799 562887968 /nfs/dbraw/zinc/88/79/68/562887968.db2.gz RDTXZLWYTGSRKV-GDLZYMKVSA-N 0 3 561.686 4.599 1 0 KJAFHN CN(C)CCNC(=O)[C@H](Cc1ccc(-c2cn3ccccc3n2)cc1)NC(=O)c1ccccc1OCc1ccccc1 ZINC000299838801 562887977 /nfs/dbraw/zinc/88/79/77/562887977.db2.gz RDTXZLWYTGSRKV-LJAQVGFWSA-N 0 3 561.686 4.599 1 0 KJAFHN CCN1CCN(Cc2ccc(NC(=O)Nc3cccc(Cc4nccn4-c4ccnc(NC[C@H](C)O)n4)c3)cc2C(F)(F)F)CC1 ZINC000299838845 562887980 /nfs/dbraw/zinc/88/79/80/562887980.db2.gz OHUARHYNIFTPSL-QFIPXVFZSA-N 0 3 637.711 4.846 1 0 KJAFHN CCOc1cccc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c1 ZINC000299839947 562888378 /nfs/dbraw/zinc/88/83/78/562888378.db2.gz UBXTYMUIQFZANS-AREMUKBSSA-N 0 3 527.587 4.790 1 0 KJAFHN CCOc1cccc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c1 ZINC000299839948 562888376 /nfs/dbraw/zinc/88/83/76/562888376.db2.gz UBXTYMUIQFZANS-SANMLTNESA-N 0 3 527.587 4.790 1 0 KJAFHN N[C@@H](Cc1cnc(C2CCCC2)[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C2CCCC2)n1)C(=O)NCc1ccccc1 ZINC000299840193 562888461 /nfs/dbraw/zinc/88/84/61/562888461.db2.gz VSFRUVBGVOKARX-SYRLMZQMSA-N 0 3 703.892 4.571 1 0 KJAFHN N[C@@H](Cc1c[nH]c(C2CCCC2)n1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(C2CCCC2)[nH]1)C(=O)NCc1ccccc1 ZINC000299840193 562888460 /nfs/dbraw/zinc/88/84/60/562888460.db2.gz VSFRUVBGVOKARX-SYRLMZQMSA-N 0 3 703.892 4.571 1 0 KJAFHN N[C@@H](Cc1c[nH]c(C2CCCC2)n1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C2CCCC2)n1)C(=O)NCc1ccccc1 ZINC000299840193 562888459 /nfs/dbraw/zinc/88/84/59/562888459.db2.gz VSFRUVBGVOKARX-SYRLMZQMSA-N 0 3 703.892 4.571 1 0 KJAFHN CCOc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)ccc1OC ZINC000299840341 562888551 /nfs/dbraw/zinc/88/85/51/562888551.db2.gz VBZLFDDSJUUBFH-RUZDIDTESA-N 0 3 557.613 4.799 1 0 KJAFHN CCOc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)ccc1OC ZINC000299840342 562888546 /nfs/dbraw/zinc/88/85/46/562888546.db2.gz VBZLFDDSJUUBFH-VWLOTQADSA-N 0 3 557.613 4.799 1 0 KJAFHN CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(OC(F)(F)F)c3)nc2)C(=O)NCCN(C)C)sc1C ZINC000299841135 562888757 /nfs/dbraw/zinc/88/87/57/562888757.db2.gz YDGPTQNAUYPLFV-XMMPIXPASA-N 0 3 562.658 4.989 1 0 KJAFHN COCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(C)C)c3)cc2)C(=O)NCCN(C)C)ccc1OC ZINC000299841286 562888785 /nfs/dbraw/zinc/88/87/85/562888785.db2.gz YZGIYVNTXWDDDE-GDLZYMKVSA-N 0 3 531.697 4.651 1 0 KJAFHN COCc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(C)C)c3)cc2)C(=O)NCCN(C)C)ccc1OC ZINC000299841287 562888788 /nfs/dbraw/zinc/88/87/88/562888788.db2.gz YZGIYVNTXWDDDE-LJAQVGFWSA-N 0 3 531.697 4.651 1 0 KJAFHN CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N(C)CCN(C)C)CC1 ZINC000299847881 562890092 /nfs/dbraw/zinc/89/00/92/562890092.db2.gz WBULRRUHINPFLH-QQQBVDEYSA-N 0 3 545.765 4.855 1 0 KJAFHN CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)C1CNC1)C4(C)C)C(C)(C)O ZINC000299849244 562890463 /nfs/dbraw/zinc/89/04/63/562890463.db2.gz CCAZGPVXKADYGB-XZPQSECTSA-N 0 3 615.852 4.634 1 0 KJAFHN CCOc1ccc(-c2nc(NC(=O)[C@@H](N)CCSC)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299852891 562891005 /nfs/dbraw/zinc/89/10/05/562891005.db2.gz YXNNVNCOVLUCCM-SFHVURJKSA-N 0 3 517.673 4.921 1 0 KJAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCCN(Cc3ccc(F)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000299854608 562891449 /nfs/dbraw/zinc/89/14/49/562891449.db2.gz AOCCUSCVPQOIRN-UHFFFAOYSA-N 0 3 543.127 4.977 1 0 KJAFHN O=C(COc1ccc(/C=C2\SC(=O)N(CCN3CCCCC3)C2=O)cc1)Nc1cccc(Cl)c1 ZINC000299855085 562891545 /nfs/dbraw/zinc/89/15/45/562891545.db2.gz AYVVWOIXIPZFEJ-JCMHNJIXSA-N 0 3 500.020 4.880 1 0 KJAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855806 562891748 /nfs/dbraw/zinc/89/17/48/562891748.db2.gz GMHKDASFRJNUHU-DEOSSOPVSA-N 0 3 525.137 4.836 1 0 KJAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855809 562891738 /nfs/dbraw/zinc/89/17/38/562891738.db2.gz GMHKDASFRJNUHU-XMMPIXPASA-N 0 3 525.137 4.836 1 0 KJAFHN O=C(CCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCC[C@H]1C(=O)N1CCCCC1 ZINC000299857443 562892246 /nfs/dbraw/zinc/89/22/46/562892246.db2.gz CWYCYSJSUHLIBI-LJAQVGFWSA-N 0 3 502.703 4.649 1 0 KJAFHN CN(CCNCc1cn(-c2ccnc3cc(Cl)ccc32)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299857516 562892229 /nfs/dbraw/zinc/89/22/29/562892229.db2.gz FHTNNIIWPLWJAH-UHFFFAOYSA-N 0 3 521.456 4.804 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CN3CCCC3)O5)ccc2OC)c1 ZINC000299858298 562892443 /nfs/dbraw/zinc/89/24/43/562892443.db2.gz GHDYQHBPDJIJBZ-AREMUKBSSA-N 0 3 555.587 4.525 1 0 KJAFHN COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CN3CCCC3)O5)ccc2OC)c1 ZINC000299858301 562892425 /nfs/dbraw/zinc/89/24/25/562892425.db2.gz GHDYQHBPDJIJBZ-SANMLTNESA-N 0 3 555.587 4.525 1 0 KJAFHN O=C(NC[C@H]1CN(c2ccc(-n3cccc3CN3CCCC3)cc2F)C(=O)O1)c1ccc(Cl)s1 ZINC000299859089 562892588 /nfs/dbraw/zinc/89/25/88/562892588.db2.gz HLBNMRUJUPXWGI-SFHVURJKSA-N 0 3 502.999 4.682 1 0 KJAFHN NC(=O)c1ccccc1OCCCN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 ZINC000299860609 562892999 /nfs/dbraw/zinc/89/29/99/562892999.db2.gz GUZVTLAJXNRRJR-UHFFFAOYSA-N 0 3 515.635 4.535 1 0 KJAFHN Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)ccc1NC(=O)[C@@H](N)CCc1ccccc1 ZINC000299861422 562893318 /nfs/dbraw/zinc/89/33/18/562893318.db2.gz LIGNPLHIVYWXSV-IUDBTDONSA-N 0 3 589.696 4.733 1 0 KJAFHN CCN(CC)Cc1cccn1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1 ZINC000299862478 562893633 /nfs/dbraw/zinc/89/36/33/562893633.db2.gz NBSSIFMSALDGHQ-SFHVURJKSA-N 0 3 505.015 4.928 1 0 KJAFHN O=C(NC[C@H]1CN(c2c(F)cc(-n3cccc3CN3CCCC3)cc2F)C(=O)O1)c1ccc(Cl)s1 ZINC000299863953 562894006 /nfs/dbraw/zinc/89/40/06/562894006.db2.gz QMRKMAOJPAJBIJ-KRWDZBQOSA-N 0 3 520.989 4.821 1 0 KJAFHN COc1cc2c(cc1OC)CN(CCCCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299868457 562895136 /nfs/dbraw/zinc/89/51/36/562895136.db2.gz RKFNSGYQBUSIRC-UHFFFAOYSA-N 0 3 559.711 4.702 1 0 KJAFHN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(c2ccccc2-c2ccccc2)CC1 ZINC000299871389 562895695 /nfs/dbraw/zinc/89/56/95/562895695.db2.gz YITRPSKRAGRSSH-HKBQPEDESA-N 0 3 524.709 4.865 1 0 KJAFHN O=c1sc2ccccc2n1CCCCCCN1CCN(CCCn2c3ccccc3sc2=O)CC1 ZINC000473081765 562896661 /nfs/dbraw/zinc/89/66/61/562896661.db2.gz DCGNWNPSRQQYKS-UHFFFAOYSA-N 0 3 510.729 4.708 1 0 KJAFHN O=c1sc2ccccc2n1CCCCCN1CCN(CCCCn2c3ccccc3sc2=O)CC1 ZINC000473082026 562896691 /nfs/dbraw/zinc/89/66/91/562896691.db2.gz FIXGPVVBAHZXJS-UHFFFAOYSA-N 0 3 510.729 4.708 1 0 KJAFHN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCN2CCN(C)CC2)COC1=O ZINC000473083227 562896785 /nfs/dbraw/zinc/89/67/85/562896785.db2.gz BCHWQHLSQBJHAS-DEICMYPCSA-N 0 3 722.832 4.881 1 0 KJAFHN CC[C@@H]1C(=O)N(CC(C)C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000473083481 562896815 /nfs/dbraw/zinc/89/68/15/562896815.db2.gz BUKYAUYZJGAKES-RUZDIDTESA-N 0 3 563.747 4.583 1 0 KJAFHN O=c1oc2ccccc2n1CCCCCCN1CCN(CCCCCn2c3ccccc3oc2=O)CC1 ZINC000473084668 562896916 /nfs/dbraw/zinc/89/69/16/562896916.db2.gz TWFDQCONQMAKPA-UHFFFAOYSA-N 0 3 506.647 4.551 1 0 KJAFHN CS(=O)(=O)c1ccc(-c2nc(N3CCNCC3)nc3cc(-c4ccc(C(F)(F)F)cc4)sc32)cc1 ZINC000473087535 562897199 /nfs/dbraw/zinc/89/71/99/562897199.db2.gz KLFNQVMEBGKVHK-UHFFFAOYSA-N 0 3 518.586 4.857 1 0 KJAFHN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCN2CCN(CCO)CC2)COC1=O ZINC000473087630 562897187 /nfs/dbraw/zinc/89/71/87/562897187.db2.gz KZZKVJRADJOHNM-NPQFCROMSA-N 0 3 766.885 4.634 1 0 KJAFHN Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1 ZINC000473088034 562897273 /nfs/dbraw/zinc/89/72/73/562897273.db2.gz HNYALCYKOAVIJH-UHFFFAOYSA-N 0 3 574.151 4.614 1 0 KJAFHN Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(CF)CF)cc1C1CCN(C)CC1 ZINC000473088048 562897278 /nfs/dbraw/zinc/89/72/78/562897278.db2.gz HPIMPDFBQNEJQL-UHFFFAOYSA-N 0 3 612.147 4.759 1 0 KJAFHN Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(F)(F)F)cc1C1CCN(C)CC1 ZINC000473088416 562897327 /nfs/dbraw/zinc/89/73/27/562897327.db2.gz IFGGCOSWGWXXLV-UHFFFAOYSA-N 0 3 602.083 4.971 1 0 KJAFHN CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCCC3)nc2N1C1CCCC1 ZINC000473088536 562897299 /nfs/dbraw/zinc/89/72/99/562897299.db2.gz OTKIKJDBYKBEOE-AREMUKBSSA-N 0 3 575.758 4.870 1 0 KJAFHN Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OCC2CC2)cc1C1CCN(C)CC1 ZINC000473088662 562897344 /nfs/dbraw/zinc/89/73/44/562897344.db2.gz JCMMWGRBWQRXDR-UHFFFAOYSA-N 0 3 588.178 4.861 1 0 KJAFHN CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1Cc1cccc(Br)c1 ZINC000473089324 562897371 /nfs/dbraw/zinc/89/73/71/562897371.db2.gz RCDQFASKGQECOZ-XMMPIXPASA-N 0 3 622.568 4.577 1 0 KJAFHN CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(Cl)c(C3CCN(C)CC3)cc2OC2CC2)ncc1Cl ZINC000473090412 562897534 /nfs/dbraw/zinc/89/75/34/562897534.db2.gz OTBFHRYKQAVIFQ-UHFFFAOYSA-N 0 3 594.569 4.959 1 0 KJAFHN CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OCC(C)C)nc2N1C1CCCC1 ZINC000473091533 562897705 /nfs/dbraw/zinc/89/77/05/562897705.db2.gz ZGZYRKVUCUHVCM-RUZDIDTESA-N 0 3 563.747 4.583 1 0 KJAFHN COc1ccc2ncc(F)c(CCC34CCC(NCc5nc6c(c(C)c5C(C)C)OCC(=O)N6)(CC3)CO4)c2n1 ZINC000473092235 562897721 /nfs/dbraw/zinc/89/77/21/562897721.db2.gz RXGAXXKHFJIDPU-UHFFFAOYSA-N 0 3 549.647 4.739 1 0 KJAFHN O=C1NC[C@@H](Cc2ccccc2)N(C[C@@H]2CCCN2C[C@@H](CC2CCCCC2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000473121606 562899421 /nfs/dbraw/zinc/89/94/21/562899421.db2.gz QABDTPJMJYQBCF-KQQMQGIYSA-N 0 3 717.955 4.884 1 0 KJAFHN CCN1CCCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1 ZINC000473134239 562900513 /nfs/dbraw/zinc/90/05/13/562900513.db2.gz GYKCLKQWDUOGKZ-UHFFFAOYSA-N 0 3 530.094 4.998 1 0 KJAFHN CCN1CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1 ZINC000473135166 562900649 /nfs/dbraw/zinc/90/06/49/562900649.db2.gz LXPOMXGDVJAVRC-UHFFFAOYSA-N 0 3 530.094 4.998 1 0 KJAFHN CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000473135540 562900803 /nfs/dbraw/zinc/90/08/03/562900803.db2.gz JKBBZFHUTWAHKZ-UHFFFAOYSA-N 0 3 537.682 4.709 1 0 KJAFHN COc1ccc(C(=O)OCCN(C)C)cc1NC(=O)Nc1cc(-c2cncnc2)cc(C(F)(F)F)c1 ZINC000473149201 562901516 /nfs/dbraw/zinc/90/15/16/562901516.db2.gz JBEUTRANOFJFIG-UHFFFAOYSA-N 0 3 503.481 4.533 1 0 KJAFHN COc1ccc2nc3c(c(NCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473149623 562901524 /nfs/dbraw/zinc/90/15/24/562901524.db2.gz JMDGGQINMCLMOO-HKBQPEDESA-N 0 3 517.670 4.877 1 0 KJAFHN COc1ccc2nc3c(c(NCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473149624 562901513 /nfs/dbraw/zinc/90/15/13/562901513.db2.gz JMDGGQINMCLMOO-WJOKGBTCSA-N 0 3 517.670 4.877 1 0 KJAFHN CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(C[C@H]3CCc4ccccc43)ccc21 ZINC000473152309 562901785 /nfs/dbraw/zinc/90/17/85/562901785.db2.gz SWFRGHVUTBNYJG-NRSKXHDUSA-N 0 3 511.666 4.765 1 0 KJAFHN CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(C[C@@H]3CCc4ccccc43)ccc21 ZINC000473152318 562901749 /nfs/dbraw/zinc/90/17/49/562901749.db2.gz SWFRGHVUTBNYJG-QZFRTWIZSA-N 0 3 511.666 4.765 1 0 KJAFHN CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473154354 562902109 /nfs/dbraw/zinc/90/21/09/562902109.db2.gz GNFFCOREKIKKBF-DHLKQENFSA-N 0 3 554.478 4.957 1 0 KJAFHN CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])[N-]C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473154354 562902108 /nfs/dbraw/zinc/90/21/08/562902108.db2.gz GNFFCOREKIKKBF-DHLKQENFSA-N 0 3 554.478 4.957 1 0 KJAFHN CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473154355 562902136 /nfs/dbraw/zinc/90/21/36/562902136.db2.gz GNFFCOREKIKKBF-RDGATRHJSA-N 0 3 554.478 4.957 1 0 KJAFHN CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])[N-]C(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473154355 562902135 /nfs/dbraw/zinc/90/21/35/562902135.db2.gz GNFFCOREKIKKBF-RDGATRHJSA-N 0 3 554.478 4.957 1 0 KJAFHN CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2C[C@H](Oc3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473158143 562902564 /nfs/dbraw/zinc/90/25/64/562902564.db2.gz VHNFIXHOLBUZDE-URXFXBBRSA-N 0 3 540.451 4.819 1 0 KJAFHN CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])[N-]C(=O)[C@@H]2C[C@H](Oc3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473158143 562902563 /nfs/dbraw/zinc/90/25/63/562902563.db2.gz VHNFIXHOLBUZDE-URXFXBBRSA-N 0 3 540.451 4.819 1 0 KJAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473164963 562902848 /nfs/dbraw/zinc/90/28/48/562902848.db2.gz IIKSJECAQBIROY-NYVOZVTQSA-N 0 3 524.061 4.931 1 0 KJAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473164963 562902847 /nfs/dbraw/zinc/90/28/47/562902847.db2.gz IIKSJECAQBIROY-NYVOZVTQSA-N 0 3 524.061 4.931 1 0 KJAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473164964 562902902 /nfs/dbraw/zinc/90/29/02/562902902.db2.gz IIKSJECAQBIROY-STZQEDGTSA-N 0 3 524.061 4.931 1 0 KJAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473164964 562902901 /nfs/dbraw/zinc/90/29/01/562902901.db2.gz IIKSJECAQBIROY-STZQEDGTSA-N 0 3 524.061 4.931 1 0 KJAFHN NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(NCCN2CCCCC2)cc1 ZINC000473164991 562902888 /nfs/dbraw/zinc/90/28/88/562902888.db2.gz MKSPZKFAEHWFCN-UHFFFAOYSA-N 0 3 514.655 4.711 1 0 KJAFHN NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCN3CCCC3)ccc21 ZINC000473165254 562902942 /nfs/dbraw/zinc/90/29/42/562902942.db2.gz TZPSLRKOXNGYJU-XYHYBEPMSA-N 0 3 583.064 4.560 1 0 KJAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](CN5CC[C@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473179706 562903396 /nfs/dbraw/zinc/90/33/96/562903396.db2.gz BWAGCDGWJPWYOX-NYVOZVTQSA-N 0 3 523.077 4.898 1 0 KJAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](CN5CC[C@@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473179707 562903404 /nfs/dbraw/zinc/90/34/04/562903404.db2.gz BWAGCDGWJPWYOX-STZQEDGTSA-N 0 3 523.077 4.898 1 0 KJAFHN CC(C)CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCN2CCOCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000473214442 562903980 /nfs/dbraw/zinc/90/39/80/562903980.db2.gz WMMAOMZOXIRAAB-IUIQULDGSA-N 0 3 621.144 4.982 1 0 KJAFHN O=C([O-])CN1CCN(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215304 562903997 /nfs/dbraw/zinc/90/39/97/562903997.db2.gz ICQCOHCCXTZXCR-PVWDLEKUSA-N 0 3 519.734 4.765 1 0 KJAFHN O=C([O-])CN1CCN(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215304 562903996 /nfs/dbraw/zinc/90/39/96/562903996.db2.gz ICQCOHCCXTZXCR-PVWDLEKUSA-N 0 3 519.734 4.765 1 0 KJAFHN O=C([O-])CN1CCN(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215352 562904022 /nfs/dbraw/zinc/90/40/22/562904022.db2.gz JTUOQQKUKUIYJU-OTZCPNHCSA-N 0 3 505.707 4.770 1 0 KJAFHN O=C([O-])CN1CCN(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215352 562904021 /nfs/dbraw/zinc/90/40/21/562904021.db2.gz JTUOQQKUKUIYJU-OTZCPNHCSA-N 0 3 505.707 4.770 1 0 KJAFHN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(F)cc4)C(C)C)ccc3C2)cc1 ZINC000474602219 562905197 /nfs/dbraw/zinc/90/51/97/562905197.db2.gz AROJNSXAIBTZKZ-UHFFFAOYSA-N 0 3 523.674 4.522 1 0 KJAFHN Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccccc4)C(C)C)ccc3C2)c(C)c1 ZINC000474609491 562905589 /nfs/dbraw/zinc/90/55/89/562905589.db2.gz QLOPMFWLQWNBML-UHFFFAOYSA-N 0 3 533.738 4.999 1 0 KJAFHN COc1cc(C(=O)NCCN(C)C)cc(OC)c1-c1cc2c(ncnc2N[C@H](C)c2ccccc2)s1 ZINC000653686948 562906481 /nfs/dbraw/zinc/90/64/81/562906481.db2.gz ZKSWWQOGYYSNIO-QGZVFWFLSA-N 0 3 505.644 4.840 1 0 KJAFHN N[C@@H](CCC(=O)OCc1ccccc1)C(=O)NCCCCCCCCCCCCNC(=O)[C@@H](N)CCC(=O)OCc1ccccc1 ZINC000653689030 562906653 /nfs/dbraw/zinc/90/66/53/562906653.db2.gz ORIFFPVOTUFNDV-ACHIHNKUSA-N 0 3 638.850 4.822 1 0 KJAFHN Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 ZINC000653693445 562906887 /nfs/dbraw/zinc/90/68/87/562906887.db2.gz PBYCSFCOYVZDBM-UHFFFAOYSA-N 0 3 532.689 4.580 1 0 KJAFHN COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 ZINC000653696846 562907012 /nfs/dbraw/zinc/90/70/12/562907012.db2.gz JMDBRPIWAAFYSL-UHFFFAOYSA-N 0 3 546.716 4.796 1 0 KJAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000653707423 562907889 /nfs/dbraw/zinc/90/78/89/562907889.db2.gz ODNMSCZTRWQCLL-UHFFFAOYSA-N 0 3 526.641 4.651 1 0 KJAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000653708701 562908000 /nfs/dbraw/zinc/90/80/00/562908000.db2.gz WDFJVNDHNAPLGF-UHFFFAOYSA-N 0 3 540.668 4.959 1 0 KJAFHN COc1ccc(C(=O)Nc2ccc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)c(OC)cc43)cc2)cc1 ZINC000653712876 562908194 /nfs/dbraw/zinc/90/81/94/562908194.db2.gz YIQIIWTUQHYAID-UHFFFAOYSA-N 0 3 556.667 4.659 1 0 KJAFHN Cc1cc(Nc2ncc(F)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCN(C)CC1 ZINC000653729313 562909333 /nfs/dbraw/zinc/90/93/33/562909333.db2.gz INERIZRTIMJCKA-UHFFFAOYSA-N 0 3 557.696 4.677 1 0 KJAFHN Cc1ncoc1-c1nnc(SCCCN2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4F)[C@H]3C2)n1C ZINC000653730896 562909486 /nfs/dbraw/zinc/90/94/86/562909486.db2.gz YTXILLIRPDSLHZ-BEFAXECRSA-N 0 3 510.561 4.629 1 0 KJAFHN Cc1ncoc1-c1nnc(SCCCN2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4F)[C@@H]3C2)n1C ZINC000653730897 562909476 /nfs/dbraw/zinc/90/94/76/562909476.db2.gz YTXILLIRPDSLHZ-DNVCBOLYSA-N 0 3 510.561 4.629 1 0 KJAFHN Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3CCN(c4ccc(C(F)(F)F)cc4F)[C@@H]3C2)n1C ZINC000653730898 562909483 /nfs/dbraw/zinc/90/94/83/562909483.db2.gz YTXILLIRPDSLHZ-HNAYVOBHSA-N 0 3 510.561 4.629 1 0 KJAFHN Cc1ncoc1-c1nnc(SCCCN2C[C@H]3[C@@H](CCN3c3ccc(C(F)(F)F)cc3F)C2)n1C ZINC000653730899 562909457 /nfs/dbraw/zinc/90/94/57/562909457.db2.gz YTXILLIRPDSLHZ-KXBFYZLASA-N 0 3 510.561 4.629 1 0 KJAFHN Cc1cnc(Nc2cc(C)c(C3CCN(C)CC3)cc2OC2CC2)nc1Nc1cn(C)nc1S(=O)(=O)C(C)C ZINC000653745101 562910325 /nfs/dbraw/zinc/91/03/25/562910325.db2.gz BICQMEAKPHLXHM-UHFFFAOYSA-N 0 3 553.733 4.847 1 0 KJAFHN CCc1nc2c(nc(C)cc2C)n1Cc1ccc(N[C@H]2CC[C@H](C(=O)NCCN3CCCC3)CC2)cc1 ZINC000653769220 562911729 /nfs/dbraw/zinc/91/17/29/562911729.db2.gz KZNJCFSFRXBJOP-YOCNBXQISA-N 0 3 502.707 4.842 1 0 KJAFHN Cc1c(CC(=O)NCCN(C)C)c2cc(NC(=O)OC(C)(C)C)ccc2n1C(=O)c1ccc(Br)cc1 ZINC000653783775 562912310 /nfs/dbraw/zinc/91/23/10/562912310.db2.gz OBLBEBUBYGXGDT-UHFFFAOYSA-N 0 3 557.489 4.968 1 0 KJAFHN Cc1c(CC(=O)NCCN(C)C)c2cc(NC(=O)c3ccccc3)ccc2n1C(=O)c1ccc(Br)cc1 ZINC000653783784 562912273 /nfs/dbraw/zinc/91/22/73/562912273.db2.gz RVBJCBQJIXNVQS-UHFFFAOYSA-N 0 3 561.480 4.873 1 0 KJAFHN COc1ccc(C(=O)Nc2ccc3c(c2)c(CC(=O)NCCN(C)C)c(C)n3C(=O)c2ccc(Br)cc2)cc1 ZINC000653783792 562912271 /nfs/dbraw/zinc/91/22/71/562912271.db2.gz UKWLDQSDXWREHO-UHFFFAOYSA-N 0 3 591.506 4.882 1 0 KJAFHN CN(C)CCNC(=O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)CC1 ZINC000653796412 562913133 /nfs/dbraw/zinc/91/31/33/562913133.db2.gz MWHHLPKNUNSEJT-HZCBDIJESA-N 0 3 505.688 4.723 1 0 KJAFHN Cc1ccc(-c2cn(-c3ccc(CN4CCN(C)CC4)cc3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653802011 562913442 /nfs/dbraw/zinc/91/34/42/562913442.db2.gz CTOUMIKCVOTXBI-UHFFFAOYSA-N 0 3 517.641 4.586 1 0 KJAFHN N[C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)[C@@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000653834583 562914650 /nfs/dbraw/zinc/91/46/50/562914650.db2.gz ZWZPNUQLMSAMMR-NPLHHVMXSA-N 0 3 638.609 4.780 1 0 KJAFHN N[C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837901 562914800 /nfs/dbraw/zinc/91/48/00/562914800.db2.gz LQANTSXWUVNUGR-JWZKTCGFSA-N 0 3 602.629 4.502 1 0 KJAFHN CCN1CCN(c2ccc3c(c2)nc(NCc2cc(C)no2)nc3Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)CC1 ZINC000653842104 562914914 /nfs/dbraw/zinc/91/49/14/562914914.db2.gz FQWFCEMZVYHRRW-UHFFFAOYSA-N 0 3 597.724 4.949 1 0 KJAFHN N=C(NCc1c(Oc2ccccc2Cl)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653842134 562914945 /nfs/dbraw/zinc/91/49/45/562914945.db2.gz OGXYQCYGWXTRGN-QHCPKHFHSA-N 0 3 550.059 4.531 1 0 KJAFHN COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)N)nnc2[C@@H](N)Cc2c[nH]c3ccccc23)cc1 ZINC000653842766 562914929 /nfs/dbraw/zinc/91/49/29/562914929.db2.gz MQLCJXCOIKRMFV-BHBYDHKZSA-N 0 3 590.732 4.677 1 0 KJAFHN N=C(NCc1c(Oc2ccc(Cl)cc2)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653843508 562915008 /nfs/dbraw/zinc/91/50/08/562915008.db2.gz OZTOGMVEZQTUNJ-DEOSSOPVSA-N 0 3 550.059 4.531 1 0 KJAFHN N=C(NCc1c(Oc2ccccc2C(F)(F)F)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653843537 562915039 /nfs/dbraw/zinc/91/50/39/562915039.db2.gz XCTIJGOPOYBSJI-QHCPKHFHSA-N 0 3 583.611 4.897 1 0 KJAFHN N=C(NCc1c(Oc2ccc(C(F)(F)F)cc2)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653846531 562915232 /nfs/dbraw/zinc/91/52/32/562915232.db2.gz LWIXKTAFNPJBQP-DEOSSOPVSA-N 0 3 583.611 4.897 1 0 KJAFHN N=C(NCc1c(Oc2cccc(Cl)c2)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653848290 562915336 /nfs/dbraw/zinc/91/53/36/562915336.db2.gz IMPBUMHKORYABH-DEOSSOPVSA-N 0 3 550.059 4.531 1 0 KJAFHN CCN1CCN(c2ccc3c(c2)nc(Cl)nc3Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)CC1 ZINC000653848928 562915368 /nfs/dbraw/zinc/91/53/68/562915368.db2.gz KLVPBLIMTASWJW-UHFFFAOYSA-N 0 3 522.053 4.694 1 0 KJAFHN N=C(NCc1c(Oc2cccc(C(F)(F)F)c2)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653850179 562915460 /nfs/dbraw/zinc/91/54/60/562915460.db2.gz PBFJOKYKMWOCIY-DEOSSOPVSA-N 0 3 583.611 4.897 1 0 KJAFHN CCc1nc2cc(N3CCN(CC)CC3)ccc2c(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)n1 ZINC000653850682 562915497 /nfs/dbraw/zinc/91/54/97/562915497.db2.gz JZADASHLALTDDI-UHFFFAOYSA-N 0 3 515.662 4.603 1 0 KJAFHN CCCc1nc2cc(N3CCN(CC)CC3)ccc2c(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)n1 ZINC000653850720 562915494 /nfs/dbraw/zinc/91/54/94/562915494.db2.gz ZUJFWAZLOHHIFQ-UHFFFAOYSA-N 0 3 529.689 4.993 1 0 KJAFHN COc1ccc(Cn2c([C@H](N)Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 ZINC000653850985 562915546 /nfs/dbraw/zinc/91/55/46/562915546.db2.gz MQLCJXCOIKRMFV-POURPWNDSA-N 0 3 590.732 4.677 1 0 KJAFHN COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN6CCCC[C@@H]6C5)ccc43)n[nH]2)cc(OC)c1 ZINC000653854010 562915691 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/nfs/dbraw/zinc/91/62/52/562916252.db2.gz HHXONKYVQVDMAS-HXUWFJFHSA-N 0 3 552.123 4.895 1 0 KJAFHN Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CCC2)c2ccc(Cc3ccccc3)cc21 ZINC000653872516 562916487 /nfs/dbraw/zinc/91/64/87/562916487.db2.gz NXRHUNYYQWAEPD-URLMMPGGSA-N 0 3 511.666 4.864 1 0 KJAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(C(C)=O)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000653891191 562917230 /nfs/dbraw/zinc/91/72/30/562917230.db2.gz XHAVFVHOBKRNJP-UHFFFAOYSA-N 0 3 591.697 4.639 1 0 KJAFHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2)n1 ZINC000653913854 562917773 /nfs/dbraw/zinc/91/77/73/562917773.db2.gz DEBFWFAAIWZWSH-UHFFFAOYSA-N 0 3 508.070 4.842 1 0 KJAFHN COc1cc(OC)c([C@@H](CCN2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2oc(=O)ccc12 ZINC000013661025 561723502 /nfs/dbraw/zinc/72/35/02/561723502.db2.gz AIVOVETXHGMDLI-QHCPKHFHSA-N 0 3 528.605 4.883 3 0 KJAFHN COc1cc(OC)c([C@H](CCN2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2oc(=O)ccc12 ZINC000013661027 561723528 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