smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000000781315 551541910 /nfs/dbraw/zinc/54/19/10/551541910.db2.gz LMCNODASOFHEPI-SIBVEZHUSA-N 0 0 506.555 4.845 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000000781316 551542039 /nfs/dbraw/zinc/54/20/39/551542039.db2.gz LMCNODASOFHEPI-AFMDSPMNSA-N 0 0 506.555 4.845 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000000781317 551541992 /nfs/dbraw/zinc/54/19/92/551541992.db2.gz LMCNODASOFHEPI-BCHFMIIMSA-N 0 0 506.555 4.845 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000000781318 551542013 /nfs/dbraw/zinc/54/20/13/551542013.db2.gz LMCNODASOFHEPI-NIYFSFCBSA-N 0 0 506.555 4.845 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000000781363 551542066 /nfs/dbraw/zinc/54/20/66/551542066.db2.gz IXADJXPZANPYNT-OYLFLEFRSA-N 0 0 512.946 4.800 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000000781364 551542028 /nfs/dbraw/zinc/54/20/28/551542028.db2.gz IXADJXPZANPYNT-MYYSRTQBSA-N 0 0 512.946 4.800 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000000781365 551542016 /nfs/dbraw/zinc/54/20/16/551542016.db2.gz IXADJXPZANPYNT-IZHWHUGBSA-N 0 0 512.946 4.800 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000000781366 551542020 /nfs/dbraw/zinc/54/20/20/551542020.db2.gz IXADJXPZANPYNT-OWJWWREXSA-N 0 0 512.946 4.800 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000781371 551542049 /nfs/dbraw/zinc/54/20/49/551542049.db2.gz KMEHLAPSAJMZBM-VOIUYBSRSA-N 0 0 512.946 4.800 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000781372 551542056 /nfs/dbraw/zinc/54/20/56/551542056.db2.gz KMEHLAPSAJMZBM-GYCJOSAFSA-N 0 0 512.946 4.800 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000781373 551542061 /nfs/dbraw/zinc/54/20/61/551542061.db2.gz KMEHLAPSAJMZBM-UPCLLVRISA-N 0 0 512.946 4.800 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000781374 551542391 /nfs/dbraw/zinc/54/23/91/551542391.db2.gz KMEHLAPSAJMZBM-FYSMJZIKSA-N 0 0 512.946 4.800 40 30 KJEBRN CCOC(=O)[C@@H](Cc1ccc(/N=C/c2cc(Br)ccc2O)cc1)N1C(=O)c2ccccc2C1=O ZINC000000825166 551544714 /nfs/dbraw/zinc/54/47/14/551544714.db2.gz JRXHFARYLAYVTG-FEGPCZTRSA-N 0 0 521.367 4.676 40 30 KJEBRN CCOC(=O)[C@H](Cc1ccc(/N=C/c2cc(Br)ccc2O)cc1)N1C(=O)c2ccccc2C1=O ZINC000000825168 551544654 /nfs/dbraw/zinc/54/46/54/551544654.db2.gz JRXHFARYLAYVTG-SQEMJAKJSA-N 0 0 521.367 4.676 40 30 KJEBRN CCOC(=O)[C@@H](Cc1ccc(/N=C/c2ccc(Br)cc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000000825182 551544725 /nfs/dbraw/zinc/54/47/25/551544725.db2.gz OBEOOMAKMSDRFJ-GRIZMQLISA-N 0 0 505.368 4.970 40 30 KJEBRN CCOC(=O)[C@H](Cc1ccc(/N=C/c2ccc(Br)cc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000000825184 551544637 /nfs/dbraw/zinc/54/46/37/551544637.db2.gz OBEOOMAKMSDRFJ-JPJGIZCJSA-N 0 0 505.368 4.970 40 30 KJEBRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)cc1 ZINC000000887866 551560649 /nfs/dbraw/zinc/56/06/49/551560649.db2.gz WSFAZIFNUASBGJ-UHFFFAOYSA-N 0 0 513.579 4.625 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(O)cc2)cc1OC ZINC000001104762 551609508 /nfs/dbraw/zinc/60/95/08/551609508.db2.gz DEEGMUVAWZOPQV-DEOSSOPVSA-N 0 0 538.394 4.993 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(O)cc2)cc1OC ZINC000001104763 551609495 /nfs/dbraw/zinc/60/94/95/551609495.db2.gz DEEGMUVAWZOPQV-XMMPIXPASA-N 0 0 538.394 4.993 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000001104764 551609510 /nfs/dbraw/zinc/60/95/10/551609510.db2.gz BSDMWPWZBFJFGH-DEOSSOPVSA-N 0 0 506.486 4.572 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000001104765 551609497 /nfs/dbraw/zinc/60/94/97/551609497.db2.gz BSDMWPWZBFJFGH-XMMPIXPASA-N 0 0 506.486 4.572 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413514 551666034 /nfs/dbraw/zinc/66/60/34/551666034.db2.gz SQCPLVHXJOHYDO-SANMLTNESA-N 0 0 510.546 4.784 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413515 551665977 /nfs/dbraw/zinc/66/59/77/551665977.db2.gz SQCPLVHXJOHYDO-AREMUKBSSA-N 0 0 510.546 4.784 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000001423013 551668807 /nfs/dbraw/zinc/66/88/07/551668807.db2.gz POHCCALWEPZEKA-AGRHKRQWSA-N 0 0 506.407 4.989 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000001423057 551668810 /nfs/dbraw/zinc/66/88/10/551668810.db2.gz WIVHDWYIXSYMES-CAVYSCNFSA-N 0 0 585.632 4.757 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000001423180 551669085 /nfs/dbraw/zinc/66/90/85/551669085.db2.gz VAYXKSDLAIVAHM-URORMMCBSA-N 0 0 585.632 4.757 40 30 KJEBRN O=C(OCC(Cl)(Cl)Cl)N1[C@@H]2C=C[C@H](N1C(=O)OCC(Cl)(Cl)Cl)[C@]13CCCC[C@]21O3 ZINC000001579315 551684925 /nfs/dbraw/zinc/68/49/25/551684925.db2.gz ISDMNNQXRJZWQM-DHPDLVEQSA-N 0 0 529.031 4.921 40 30 KJEBRN CCOC(=O)C1=C(C(=O)c2ccccc2)C(c2ccccc2[N+](=O)[O-])C(C(=O)c2ccccc2)=C(C(=O)OCC)N1 ZINC000001588798 551685196 /nfs/dbraw/zinc/68/51/96/551685196.db2.gz HIEGZARRQBQQHB-UHFFFAOYSA-N 0 0 554.555 4.682 40 30 KJEBRN CCOC(=O)C1=C(C(=O)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)c2ccccc2)=C(C(=O)OCC)N1 ZINC000001588799 551685256 /nfs/dbraw/zinc/68/52/56/551685256.db2.gz VCBRVZOQWVVNBW-UHFFFAOYSA-N 0 0 554.555 4.682 40 30 KJEBRN CCOC(=O)C1=C(C(=O)c2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccccc2)=C(C(=O)OCC)N1 ZINC000001588800 551685231 /nfs/dbraw/zinc/68/52/31/551685231.db2.gz BOWKGPDYAPWTQV-UHFFFAOYSA-N 0 0 554.555 4.682 40 30 KJEBRN O=C(OC1=C(OC(=O)c2ccccc2)C(=O)C(OC(=O)c2ccccc2)=C(OC(=O)c2ccccc2)C1=O)c1ccccc1 ZINC000001592717 551685499 /nfs/dbraw/zinc/68/54/99/551685499.db2.gz PCIDLICVSLTLTR-UHFFFAOYSA-N 0 0 588.524 4.989 40 30 KJEBRN COc1ccc(N2C(=O)C(=NNc3ccc(Br)cc3)C(=O)N(c3ccc(C)cc3)C2=S)cc1 ZINC000001619494 551686537 /nfs/dbraw/zinc/68/65/37/551686537.db2.gz PVZSVOHAJWGTMM-MEFGMAGPSA-N 0 0 523.412 4.899 40 30 KJEBRN C=C(c1nc2ccc(Cl)cc2[nH]c1=O)[C@@H](O)c1ccc([C@H](O)C(=O)c2nc3ccc(Cl)cc3[nH]c2=O)cc1 ZINC000001627763 551686760 /nfs/dbraw/zinc/68/67/60/551686760.db2.gz BQTSHKGFVYSUCO-RPWUZVMVSA-N 0 0 549.370 4.542 40 30 KJEBRN N#CCCN(CCC#N)c1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)N(S(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000001628508 551686765 /nfs/dbraw/zinc/68/67/65/551686765.db2.gz QWKSIPIXHVKNIR-NLRVBDNBSA-N 0 0 589.033 4.901 40 30 KJEBRN Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1/N=C(/C=C/c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C1=O ZINC000001629740 551686754 /nfs/dbraw/zinc/68/67/54/551686754.db2.gz OGQPJIGUPZYTLI-CHBBBDKJSA-N 0 0 564.671 4.776 40 30 KJEBRN Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1\N=C(/C=C/c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C1=O ZINC000001629741 551687085 /nfs/dbraw/zinc/68/70/85/551687085.db2.gz OGQPJIGUPZYTLI-FTMGPJKFSA-N 0 0 564.671 4.776 40 30 KJEBRN CC(C)N(C(=O)C12C3(C(=O)C(C)(C)C)C4C5(C#N)C3C1(C(=O)C(C)(C)C)C5C42C(=O)C(C)(C)C)C(C)C ZINC000001647633 551687844 /nfs/dbraw/zinc/68/78/44/551687844.db2.gz HACXXDNMYQPGGH-UHFFFAOYSA-N 0 0 508.703 4.850 40 30 KJEBRN Cc1nc(-c2ccc(/N=C/c3ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc3Cl)cc2)c(C)s1 ZINC000001655577 551688036 /nfs/dbraw/zinc/68/80/36/551688036.db2.gz GEWVCOXNLMXOPG-WGOQTCKBSA-N 0 0 586.157 4.590 40 30 KJEBRN O=C1c2ccccc2C(=O)C(NSCCSNC2=C(Cl)C(=O)c3ccccc3C2=O)=C1Cl ZINC000001677550 551688970 /nfs/dbraw/zinc/68/89/70/551688970.db2.gz IQBCIHXDMODTPN-UHFFFAOYSA-N 0 0 505.404 4.521 40 30 KJEBRN O=C1C=C(Nc2ccc(S(=O)(=O)c3ccc(NC4=CC(=O)C(=O)c5ccccc54)cc3)cc2)c2ccccc2C1=O ZINC000001714466 551690375 /nfs/dbraw/zinc/69/03/75/551690375.db2.gz WMCLNLNJZAMGES-UHFFFAOYSA-N 0 0 560.587 4.956 40 30 KJEBRN C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O ZINC000001875179 551721639 /nfs/dbraw/zinc/72/16/39/551721639.db2.gz SIMMSWNPUHHSHL-OZGJTJQNSA-N 0 0 545.499 4.963 40 30 KJEBRN Cc1cccn2c1nc1c(cc(C#N)/c(=N\C(=O)c3ccc(Cl)cc3Cl)n1CCCOC(C)C)c2=O ZINC000002424544 552116381 /nfs/dbraw/zinc/11/63/81/552116381.db2.gz VELAPHLEWCLRPS-UQRQXUALSA-N 0 0 524.408 4.692 40 30 KJEBRN C[C@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)On1nnc2cccc(O)c21 ZINC000002560734 552129793 /nfs/dbraw/zinc/12/97/93/552129793.db2.gz CJVWTSLEDHBWRL-CQEOPILBSA-N 0 0 530.581 4.630 40 30 KJEBRN COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=O)NOC(=O)c1cc(Cl)nc(Cl)c1 ZINC000002581896 1067206970 /nfs/dbraw/zinc/20/69/70/1067206970.db2.gz QWIZQQFOLORXFZ-UHFFFAOYSA-N 0 0 505.097 4.639 40 30 KJEBRN N#Cc1c2c(sc1NC(=O)CSc1nnc3n1c1ccccc1c(=O)n3-c1ccccc1)CCCCC2 ZINC000002624769 552138646 /nfs/dbraw/zinc/13/86/46/552138646.db2.gz ADHNWNITNSPSRN-UHFFFAOYSA-N 0 0 526.647 4.966 40 30 KJEBRN C=CCn1c2nnc(SCC(=O)Nc3cc4oc5ccccc5c4cc3OC)n2c2ccccc2c1=O ZINC000002645248 552144625 /nfs/dbraw/zinc/14/46/25/552144625.db2.gz DQQMTRANOJVNRK-UHFFFAOYSA-N 0 0 511.563 4.869 40 30 KJEBRN Cc1c(/N=C2\S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000002687846 552157134 /nfs/dbraw/zinc/15/71/34/552157134.db2.gz LXGFIHQPXPQLRA-OFSKZDEQSA-N 0 0 583.586 4.939 40 30 KJEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(I)c1OCC(=O)NCCc1ccccc1 ZINC000002750521 552175485 /nfs/dbraw/zinc/17/54/85/552175485.db2.gz XETZLBLBCWVJDH-UHFFFAOYSA-N 0 0 567.379 4.500 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c(Br)c(Br)c1OCC(N)=O ZINC000002773418 552185813 /nfs/dbraw/zinc/18/58/13/552185813.db2.gz VPHXLIFEBWWZTG-UHFFFAOYSA-N 0 0 569.246 4.602 40 30 KJEBRN COc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)ccc1OCC(=O)Nc1ccccc1C ZINC000002774367 552185977 /nfs/dbraw/zinc/18/59/77/552185977.db2.gz OENQTWFHPXPSJF-MHZLTWQESA-N 0 0 501.608 4.540 40 30 KJEBRN COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)ccc1OCC(=O)Nc1ccccc1C ZINC000002774368 552185944 /nfs/dbraw/zinc/18/59/44/552185944.db2.gz OENQTWFHPXPSJF-HHHXNRCGSA-N 0 0 501.608 4.540 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC(=O)OC)c(OC)c1 ZINC000002799562 552193853 /nfs/dbraw/zinc/19/38/53/552193853.db2.gz RBOHJNSMGMIFNK-RUZDIDTESA-N 0 0 519.594 4.551 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC(=O)OC)c(OC)c1 ZINC000002799563 552193900 /nfs/dbraw/zinc/19/39/00/552193900.db2.gz RBOHJNSMGMIFNK-VWLOTQADSA-N 0 0 519.594 4.551 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002806087 552195836 /nfs/dbraw/zinc/19/58/36/552195836.db2.gz YVYMWGVFJNMZPZ-FOPRYUNUSA-N 0 0 512.455 4.903 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000002806101 552195878 /nfs/dbraw/zinc/19/58/78/552195878.db2.gz MDVYDMKNFOHHPQ-OYYNGEPBSA-N 0 0 512.455 4.903 40 30 KJEBRN N#Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000003059136 552281610 /nfs/dbraw/zinc/28/16/10/552281610.db2.gz HRNIWRXHMULBMC-AGYDLCDTSA-N 0 0 534.207 4.968 40 30 KJEBRN N#Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000003059141 552281646 /nfs/dbraw/zinc/28/16/46/552281646.db2.gz HRNIWRXHMULBMC-SKGAXEKPSA-N 0 0 534.207 4.968 40 30 KJEBRN Cc1nc2ccccc2c(=O)n1/N=C(C(=N/n1c(C)nc2ccccc2c1=O)/c1ccccc1)\c1ccccc1 ZINC000003143566 552296161 /nfs/dbraw/zinc/29/61/61/552296161.db2.gz AFEOSGRKMJGDAG-ZRBLUKEISA-N 0 0 524.584 4.928 40 30 KJEBRN O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)c1cc(F)c(F)c(F)c1F ZINC000003164376 552298017 /nfs/dbraw/zinc/29/80/17/552298017.db2.gz PYICYFNLQGQKFN-DIBXZPPDSA-N 0 0 511.216 4.890 40 30 KJEBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)/N=C1/N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000003165546 552297954 /nfs/dbraw/zinc/29/79/54/552297954.db2.gz ZENHCJMQCSOUSH-GTZRNUIVSA-N 0 0 510.291 4.642 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(OCCSc3nnnn3-c3ccccc3)cc2)cc1 ZINC000003167491 552298297 /nfs/dbraw/zinc/29/82/97/552298297.db2.gz OHCVFVOLTJBCHQ-SJCQXOIGSA-N 0 0 570.700 4.873 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)c2ccc(OCCSc3nnnn3-c3ccccc3)cc2)cc1 ZINC000003167493 552298535 /nfs/dbraw/zinc/29/85/35/552298535.db2.gz OHCVFVOLTJBCHQ-HYOGKJQXSA-N 0 0 570.700 4.873 40 30 KJEBRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=C2\N=C3C=CC(Cl)=CN3Cc3ccccc32)cc1 ZINC000003169165 552298842 /nfs/dbraw/zinc/29/88/42/552298842.db2.gz RGRKZWNRGIRSGT-GNVQSUKOSA-N 0 0 511.047 4.948 40 30 KJEBRN O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003172637 552299391 /nfs/dbraw/zinc/29/93/91/552299391.db2.gz FBYILCRQLXQCPB-COOPMVRXSA-N 0 0 586.455 4.509 40 30 KJEBRN O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000003180124 552300306 /nfs/dbraw/zinc/30/03/06/552300306.db2.gz LCIHCKTVLXGEMH-ZXPTYKNPSA-N 0 0 561.461 4.772 40 30 KJEBRN O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc(I)cc1 ZINC000003184236 552301136 /nfs/dbraw/zinc/30/11/36/552301136.db2.gz XWBGPQQHXNBABE-CLCOLTQESA-N 0 0 518.152 4.898 40 30 KJEBRN O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003187248 552301627 /nfs/dbraw/zinc/30/16/27/552301627.db2.gz LUSIKXSMIMCOEX-CLCOLTQESA-N 0 0 518.698 4.896 40 30 KJEBRN O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003205568 552304605 /nfs/dbraw/zinc/30/46/05/552304605.db2.gz XBJDLHFTEOEAAW-BXVZCJGGSA-N 0 0 558.413 4.671 40 30 KJEBRN CN(C)S(=O)(=O)c1ccc(C(=O)/N=C2\c3ccccc3CN2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003207250 552304834 /nfs/dbraw/zinc/30/48/34/552304834.db2.gz WYOZHUYCSPOUBN-ZTKZIYFRSA-N 0 0 522.936 4.611 40 30 KJEBRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003214235 552306344 /nfs/dbraw/zinc/30/63/44/552306344.db2.gz WVVFFEPMFWFRRM-MFKUBSTISA-N 0 0 511.401 4.623 40 30 KJEBRN CN(C)S(=O)(=O)c1ccc(C(=O)/N=C2\c3ccccc3CN2c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000003217793 552308335 /nfs/dbraw/zinc/30/83/35/552308335.db2.gz JFMOWNWMDJLRTM-OWWNRXNESA-N 0 0 554.676 4.529 40 30 KJEBRN COc1ccccc1/C=N\n1cnnc1S[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003227131 552313396 /nfs/dbraw/zinc/31/33/96/552313396.db2.gz VWEWIAQIMVLCSD-XKCSFVINSA-N 0 0 528.059 4.634 40 30 KJEBRN COc1ccccc1/C=N\n1cnnc1S[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003227133 552313381 /nfs/dbraw/zinc/31/33/81/552313381.db2.gz VWEWIAQIMVLCSD-RWCDGHBOSA-N 0 0 528.059 4.634 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1Cl ZINC000003255944 552324123 /nfs/dbraw/zinc/32/41/23/552324123.db2.gz IIKSPSSJSHMYDV-ZMOGYAJESA-N 0 0 523.792 4.643 40 30 KJEBRN COc1cc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccc(F)cc3F)cc2)cc(OC)c1OC ZINC000003262778 552327361 /nfs/dbraw/zinc/32/73/61/552327361.db2.gz TUAUKGCTXMPCME-UVHMKAGCSA-N 0 0 501.511 4.530 40 30 KJEBRN COc1cc(-c2cs/c(=N/C3CCCCC3)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1OC ZINC000003272816 552332555 /nfs/dbraw/zinc/33/25/55/552332555.db2.gz HRDDUNKSCSYATL-JNLNFTRDSA-N 0 0 540.598 4.995 40 30 KJEBRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000003276672 552334398 /nfs/dbraw/zinc/33/43/98/552334398.db2.gz VQEZAOJVZAKCKL-CVKSISIWSA-N 0 0 541.427 4.631 40 30 KJEBRN CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2ccc(Br)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000003355695 552369061 /nfs/dbraw/zinc/36/90/61/552369061.db2.gz OLTIEGVNPNPAAF-VWKUSBMFSA-N 0 0 535.385 4.799 40 30 KJEBRN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F)N1CCCS/C1=N\c1ccccc1 ZINC000003380339 552378177 /nfs/dbraw/zinc/37/81/77/552378177.db2.gz LXNGEUPFOHPUJD-WNMDNWPKSA-N 0 0 509.628 4.595 40 30 KJEBRN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O ZINC000003383433 552378489 /nfs/dbraw/zinc/37/84/89/552378489.db2.gz SWDGNGLMGDFECE-KDQKKPGHSA-N 0 0 559.529 4.713 40 30 KJEBRN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O ZINC000003383440 552378454 /nfs/dbraw/zinc/37/84/54/552378454.db2.gz SWDGNGLMGDFECE-VRRKWPKRSA-N 0 0 559.529 4.713 40 30 KJEBRN COc1cc(/C=N/N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000003432637 552385801 /nfs/dbraw/zinc/38/58/01/552385801.db2.gz ARONCQRSKLHVGF-FJEPWZHXSA-N 0 0 538.516 4.713 40 30 KJEBRN CCOc1cc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)N(C)C ZINC000003438175 552386889 /nfs/dbraw/zinc/38/68/89/552386889.db2.gz ZITZHZBZTAAKKP-YSURURNPSA-N 0 0 503.839 4.833 40 30 KJEBRN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000003639516 552399653 /nfs/dbraw/zinc/39/96/53/552399653.db2.gz HZOWGJHYGXERNV-NUANOYTQSA-N 0 0 518.566 4.687 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1 ZINC000003639951 552399594 /nfs/dbraw/zinc/39/95/94/552399594.db2.gz CACBVCVOVFJSRH-VPYPWEPUSA-N 0 0 531.605 4.566 40 30 KJEBRN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1coc2ccccc2c1=O ZINC000003639954 552399616 /nfs/dbraw/zinc/39/96/16/552399616.db2.gz RVYAGXBJOFFMNY-IKDMDFKBSA-N 0 0 541.600 4.885 40 30 KJEBRN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000003639973 552399654 /nfs/dbraw/zinc/39/96/54/552399654.db2.gz OQPMVZJCDLBIFH-NUANOYTQSA-N 0 0 518.566 4.687 40 30 KJEBRN COc1cc(/C=C2\N=C(c3cc(I)ccc3Cl)SC2=O)cc(OC)c1OC(C)=O ZINC000003666710 552409223 /nfs/dbraw/zinc/40/92/23/552409223.db2.gz HEOYJEQGKBDJEJ-UUASQNMZSA-N 0 0 543.766 4.948 40 30 KJEBRN COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc(I)c1OCc1ccccc1C#N ZINC000003771155 552416287 /nfs/dbraw/zinc/41/62/87/552416287.db2.gz BJPAQLXQVLYYNZ-UHFFFAOYSA-N 0 0 561.372 4.996 40 30 KJEBRN C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF ZINC000003992105 552425241 /nfs/dbraw/zinc/42/52/41/552425241.db2.gz XTULMSXFIHGYFS-VLSRWLAYSA-N 0 0 538.584 4.927 40 30 fda KJEBRN C=C1C[C@H]2C=Nc3cc(OCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4C=N5)c(OC)cc3C(=O)N2C1 ZINC000003994495 552425143 /nfs/dbraw/zinc/42/51/43/552425143.db2.gz RWZVMMQNDHPRQD-SFTDATJTSA-N 0 0 556.619 4.525 40 30 investigational KJEBRN N#CCN(c1ccc2cc3ccc(N(CC#N)S(=O)(=O)c4ccccc4)cc3nc2c1)S(=O)(=O)c1ccccc1 ZINC000004235191 552451259 /nfs/dbraw/zinc/45/12/59/552451259.db2.gz AHIPJIFBSABVAZ-UHFFFAOYSA-N 0 0 567.652 4.826 40 30 KJEBRN N#Cc1cccc(NC(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccc4ccccc4c3)C2)c1 ZINC000004258888 552453772 /nfs/dbraw/zinc/45/37/72/552453772.db2.gz GHTLFIBIXBWORE-GBXCKJPGSA-N 0 0 503.562 4.777 40 30 biogenic,in-vitro KJEBRN C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000004262463 552454356 /nfs/dbraw/zinc/45/43/56/552454356.db2.gz DSDNAKHZNJAGHN-MXTYGGKSSA-N 0 0 628.718 4.745 40 30 in-vitro KJEBRN NC(=O)C(=NNc1c(Br)cc(Br)cc1Br)c1nc2ccccc2s1 ZINC000004292515 552456664 /nfs/dbraw/zinc/45/66/64/552456664.db2.gz RNZWDLTVVJAKLT-LPYMAVHISA-N 0 0 533.043 4.885 40 30 KJEBRN Cc1c(N/N=C(/C(=O)c2cccc3ccccc32)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000004292670 552456717 /nfs/dbraw/zinc/45/67/17/552456717.db2.gz KXAPKFGOKHBQNR-PNOGMODKSA-N 0 0 524.602 4.720 40 30 KJEBRN CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000004403280 552459254 /nfs/dbraw/zinc/45/92/54/552459254.db2.gz MOUJDHOVWOQOMG-URLVIXDHSA-N 0 0 660.697 4.748 40 30 KJEBRN CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000004403281 552459266 /nfs/dbraw/zinc/45/92/66/552459266.db2.gz MOUJDHOVWOQOMG-GIVCTBMFSA-N 0 0 660.697 4.748 40 30 KJEBRN COc1ccccc1N1C(=O)C(=NNc2ccc(Br)cc2)C(=O)N(c2ccccc2C)C1=S ZINC000004775995 552481471 /nfs/dbraw/zinc/48/14/71/552481471.db2.gz SVQYVKSOYSDNRD-SZXQPVLSSA-N 0 0 523.412 4.899 40 30 KJEBRN CN(C)c1ccc(/C=N\N=c2\[nH][nH]/c(=N\N=C/c3ccc(N(C)C)cc3Cl)c3ccccc32)c(Cl)c1 ZINC000004822441 552487764 /nfs/dbraw/zinc/48/77/64/552487764.db2.gz ZWVSQDOEVLSQBJ-VHUXLRGGSA-N 0 0 521.456 4.804 40 30 KJEBRN CN(C)c1ccc(/C=C\C=N/N=c2/[nH][nH]/c(=N/N=C\C=C/c3ccc(N(C)C)cc3)c3ccccc32)cc1 ZINC000004822467 552487862 /nfs/dbraw/zinc/48/78/62/552487862.db2.gz GYOSEOPFTFHCAW-ITSLAYEYSA-N 0 0 504.642 4.828 40 30 KJEBRN CCOc1ccc(/C=N\N=c2/[nH][nH]/c(=N\N=C/c3ccc(OCC)c(OCC)c3)c3ccccc32)cc1OCC ZINC000004946366 552490041 /nfs/dbraw/zinc/49/00/41/552490041.db2.gz TWIBBTZPAQPSJA-CDSIFPFTSA-N 0 0 542.640 4.960 40 30 KJEBRN Brc1ccc(/C=N\N=c2\[nH][nH]/c(=N\N=C/c3ccc(Br)cc3)c3ccccc32)cc1 ZINC000004946474 552490330 /nfs/dbraw/zinc/49/03/30/552490330.db2.gz DRSZWCPCGXVRLK-WFBNZKAHSA-N 0 0 524.220 4.891 40 30 KJEBRN COc1ccc(S(=O)(=O)/N=C(/[C@@H]2CC3=CC[C@H]4[C@H]5CCC(=O)[C@]5(C)CC(=O)[C@@H]4[C@@]3(C)C2)N2CCCC2)cc1 ZINC000005004918 552491862 /nfs/dbraw/zinc/49/18/62/552491862.db2.gz BZYUSCTZJZVZLI-SEJJDAPLSA-N 0 0 538.710 4.815 40 30 KJEBRN O=S(=O)(N/N=C(\CC/C(=N/NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000005030171 552492509 /nfs/dbraw/zinc/49/25/09/552492509.db2.gz CGANCUHVZPBTQZ-JOKXDOCYSA-N 0 0 546.674 4.532 40 30 KJEBRN S=C(NN=C1c2ccccc2N=C1NNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 ZINC000005048228 552492676 /nfs/dbraw/zinc/49/26/76/552492676.db2.gz ANQCDOTXZMRGJF-UHFFFAOYSA-N 0 0 561.825 4.805 40 30 KJEBRN O=C(/N=C1/O[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O[C@@H]2N1C(=O)c1ccccc1)c1ccccc1 ZINC000005159251 552494265 /nfs/dbraw/zinc/49/42/65/552494265.db2.gz SYIIGXVCTHRWNT-DSUASPSJSA-N 0 0 590.588 4.532 40 30 KJEBRN C=CCNC(=O)[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC=C ZINC000005239398 552495879 /nfs/dbraw/zinc/49/58/79/552495879.db2.gz GCEPSNAJKGQLFQ-UIOOFZCWSA-N 0 0 548.680 4.637 40 30 KJEBRN N#Cc1cccc(NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000005399642 552501036 /nfs/dbraw/zinc/50/10/36/552501036.db2.gz JLQQORTYLNSXMZ-YVHASNINSA-N 0 0 534.645 4.616 40 30 biogenic,in-vitro KJEBRN N#Cc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000005413677 291879640 /nfs/dbraw/zinc/87/96/40/291879640.db2.gz MGRUWWAUMMQHOX-WXVAWEFUSA-N 0 0 514.585 4.899 40 30 biogenic,in-vitro KJEBRN CC(N=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000005943743 552514447 /nfs/dbraw/zinc/51/44/47/552514447.db2.gz PJYMQECIADKBSP-YZSQISJMSA-N 0 0 530.006 4.722 40 30 KJEBRN CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005956100 552516639 /nfs/dbraw/zinc/51/66/39/552516639.db2.gz LKXWCEZCJGQEEH-YOTWPPPCSA-N 0 0 631.103 4.544 40 30 KJEBRN CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005956103 552516732 /nfs/dbraw/zinc/51/67/32/552516732.db2.gz LKXWCEZCJGQEEH-MZCDCCSRSA-N 0 0 631.103 4.544 40 30 KJEBRN CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005956104 552516645 /nfs/dbraw/zinc/51/66/45/552516645.db2.gz LKXWCEZCJGQEEH-XZTKVPSQSA-N 0 0 631.103 4.544 40 30 KJEBRN CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005956106 552516736 /nfs/dbraw/zinc/51/67/36/552516736.db2.gz LKXWCEZCJGQEEH-YKRPGVLCSA-N 0 0 631.103 4.544 40 30 KJEBRN COc1ccc(-c2cc(-c3ccccc3)n([C@H]3OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000006004540 552518055 /nfs/dbraw/zinc/51/80/55/552518055.db2.gz ZAHOVOIQMKUJOL-OLQMUTRHSA-N 0 0 576.627 4.756 40 30 KJEBRN COc1ccc(-c2cc(-c3ccccc3)n([C@H]3OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000006004542 552518079 /nfs/dbraw/zinc/51/80/79/552518079.db2.gz ZAHOVOIQMKUJOL-AUAHOFGGSA-N 0 0 576.627 4.756 40 30 KJEBRN COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000006004544 552518089 /nfs/dbraw/zinc/51/80/89/552518089.db2.gz ZAHOVOIQMKUJOL-CXDXLJMYSA-N 0 0 576.627 4.756 40 30 KJEBRN COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000006004545 552518168 /nfs/dbraw/zinc/51/81/68/552518168.db2.gz ZAHOVOIQMKUJOL-AMSOURPBSA-N 0 0 576.627 4.756 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=C1/N=C(c2ccc(NC(C)=O)cc2)OC1=O ZINC000006073749 552521730 /nfs/dbraw/zinc/52/17/30/552521730.db2.gz HDVADIHCGRPPTK-VCHYOVAHSA-N 0 0 614.177 4.764 40 30 KJEBRN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)o2)c(C#N)c1C ZINC000006088642 552530418 /nfs/dbraw/zinc/53/04/18/552530418.db2.gz WIZBWRNKXNVUFO-UHFFFAOYSA-N 0 0 597.700 4.995 40 30 KJEBRN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C#N)cc1 ZINC000006157113 552552951 /nfs/dbraw/zinc/55/29/51/552552951.db2.gz HUFDBPUNVFSRLR-UHFFFAOYSA-N 0 0 530.631 4.674 40 30 KJEBRN COc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nnc2-c2ccncc2)cc1 ZINC000006157241 552553462 /nfs/dbraw/zinc/55/34/62/552553462.db2.gz JHEQSLCVOCYXBS-UHFFFAOYSA-N 0 0 502.625 4.881 40 30 KJEBRN CCC[C@@H]1S/C(=N/N=C/c2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000006173057 552558646 /nfs/dbraw/zinc/55/86/46/552558646.db2.gz BNPFJTOHLAAJEZ-RSFOSLOZSA-N 0 0 575.304 4.701 40 30 KJEBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000006194284 552565976 /nfs/dbraw/zinc/56/59/76/552565976.db2.gz GEFMQXXLLUBHDC-UHFFFAOYSA-N 0 0 500.540 4.665 40 30 KJEBRN Cc1ccc(Nc2nc(N=NCc3ccc(Br)cc3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000006195193 552567057 /nfs/dbraw/zinc/56/70/57/552567057.db2.gz CRQWUMCHXQJTPI-ZMOGYAJESA-N 0 0 547.255 4.731 40 30 KJEBRN COc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)c2nc3ccccc3[nH]2)cc1OC ZINC000006240065 552573158 /nfs/dbraw/zinc/57/31/58/552573158.db2.gz WBHKXOFECOLNKY-DEDYPNTBSA-N 0 0 506.356 4.996 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000006240069 552573169 /nfs/dbraw/zinc/57/31/69/552573169.db2.gz DPABQDBOYNQJOA-AREMUKBSSA-N 0 0 503.551 4.542 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000006240091 552573122 /nfs/dbraw/zinc/57/31/22/552573122.db2.gz DPABQDBOYNQJOA-SANMLTNESA-N 0 0 503.551 4.542 40 30 KJEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NN=c2nc(Nc3cc(C)ccc3C)[nH]c(N3CCOCC3)n2)o1 ZINC000006244719 193875673 /nfs/dbraw/zinc/87/56/73/193875673.db2.gz AAUIKVVDQJREAC-LQKURTRISA-N 0 0 544.572 4.691 40 30 KJEBRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)/N=C3/N=C4C=CC(Cl)=CN4Cc4ccccc43)c2)cc1 ZINC000006250858 552575508 /nfs/dbraw/zinc/57/55/08/552575508.db2.gz UANBLFJAIZUECW-URGPHPNLSA-N 0 0 533.009 4.947 40 30 KJEBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000006280748 552576723 /nfs/dbraw/zinc/57/67/23/552576723.db2.gz PNCNYQVZAVBMGG-UHFFFAOYSA-N 0 0 500.540 4.665 40 30 KJEBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000006280860 552576981 /nfs/dbraw/zinc/57/69/81/552576981.db2.gz LLLCNVKCLXOOES-UHFFFAOYSA-N 0 0 500.540 4.665 40 30 KJEBRN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2ccc(C)o2)cc1OC ZINC000006407810 552582439 /nfs/dbraw/zinc/58/24/39/552582439.db2.gz GDLLMSDRWKUEDH-MMTVBGGISA-N 0 0 509.599 4.935 40 30 KJEBRN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2ccc(C)o2)cc1OC ZINC000006407834 552582512 /nfs/dbraw/zinc/58/25/12/552582512.db2.gz GDLLMSDRWKUEDH-NGOKVRLYSA-N 0 0 509.599 4.935 40 30 KJEBRN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2ccc(C)o2)cc1OC ZINC000006407875 552582680 /nfs/dbraw/zinc/58/26/80/552582680.db2.gz GDLLMSDRWKUEDH-WTYVLRPYSA-N 0 0 509.599 4.935 40 30 KJEBRN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2ccc(C)o2)cc1OC ZINC000006407914 552582664 /nfs/dbraw/zinc/58/26/64/552582664.db2.gz GDLLMSDRWKUEDH-PIIWDFAUSA-N 0 0 509.599 4.935 40 30 KJEBRN FC(F)(F)c1cccc(Nc2nc(N=NCc3cccc(Br)c3)nc(N3CCOCC3)n2)c1 ZINC000006444528 552586979 /nfs/dbraw/zinc/58/69/79/552586979.db2.gz APEFYYLUTKIODG-LGJNPRDNSA-N 0 0 522.329 4.679 40 30 KJEBRN CCN(CC)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(Cl)cc1Cl ZINC000006511102 552597042 /nfs/dbraw/zinc/59/70/42/552597042.db2.gz WJXSADFACWQMMR-YYHBXHNPSA-N 0 0 556.472 4.759 40 30 KJEBRN CCN(CC)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(Cl)cc1Cl ZINC000006511109 552597110 /nfs/dbraw/zinc/59/71/10/552597110.db2.gz WJXSADFACWQMMR-YNYZQSIGSA-N 0 0 556.472 4.759 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006878314 552975496 /nfs/dbraw/zinc/97/54/96/552975496.db2.gz MQYVEWQCSHKLNB-UHFFFAOYSA-N 0 0 570.766 4.682 40 30 KJEBRN COc1c(Br)cc(Br)cc1CN=Nc1nc(NCc2ccccc2)nc(N(C)C)n1 ZINC000006878714 552975976 /nfs/dbraw/zinc/97/59/76/552975976.db2.gz YLYRNADJWWNJGI-WYMPLXKRSA-N 0 0 535.244 4.529 40 30 KJEBRN COCCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2sc3c(c2c1=O)CCC3 ZINC000006904597 552976656 /nfs/dbraw/zinc/97/66/56/552976656.db2.gz HLCKZJSJITXNHN-UHFFFAOYSA-N 0 0 514.698 4.526 40 30 KJEBRN COc1c(Br)cc(Br)cc1CN=Nc1nc(Nc2ccc(F)cc2)nc(N2CCOCC2)n1 ZINC000006905730 552977678 /nfs/dbraw/zinc/97/76/78/552977678.db2.gz TYNKHAIGEHDLTH-BRJLIKDPSA-N 0 0 581.244 4.571 40 30 KJEBRN COc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000006906584 552978353 /nfs/dbraw/zinc/97/83/53/552978353.db2.gz ZVLKICMTUZHLRH-VFLNYLIXSA-N 0 0 532.582 4.950 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006907002 552978858 /nfs/dbraw/zinc/97/88/58/552978858.db2.gz OESFJFRMWKHSAP-MTDXEUNCSA-N 0 0 577.602 4.916 40 30 KJEBRN O=S(=O)(N/N=C(\CC/C(=N\NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008637344 553106236 /nfs/dbraw/zinc/10/62/36/553106236.db2.gz CGANCUHVZPBTQZ-QAVVBOBSSA-N 0 0 546.674 4.532 40 30 KJEBRN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000008686641 553115647 /nfs/dbraw/zinc/11/56/47/553115647.db2.gz VDKLVZLILONIGN-TURZUDJPSA-N 0 0 545.625 4.936 40 30 KJEBRN COCCCN1C(=O)/C(=C\c2cc(Br)ccc2OCC(=O)OC)S/C1=N\c1ccccc1 ZINC000008722249 553129944 /nfs/dbraw/zinc/12/99/44/553129944.db2.gz WWVSYHFWZRURDS-SQJAOTTLSA-N 0 0 519.417 4.641 40 30 KJEBRN COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000008762144 553137593 /nfs/dbraw/zinc/13/75/93/553137593.db2.gz SEORXHZLSXQMQN-KAWDGSDOSA-N 0 0 522.686 4.583 40 30 KJEBRN C=C(C)Cc1c2c3ccnc4c3n(c2ccc1OCC(=O)Nc1ccccc1C(N)=O)c(=O)c1ccccc14 ZINC000008764478 553138138 /nfs/dbraw/zinc/13/81/38/553138138.db2.gz WZZAZRFTSCYLBI-UHFFFAOYSA-N 0 0 516.557 4.827 40 30 biogenic KJEBRN COC(=O)[C@@H](NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12)c1ccccc1 ZINC000008770079 553140767 /nfs/dbraw/zinc/14/07/67/553140767.db2.gz FZMJVIPEDOROSZ-CTVFKMBTSA-N 0 0 520.670 4.879 40 30 KJEBRN C#CCOc1cc2c(cc1OCOc1cc3c(cc1OCC#C)OC(C)(C)CC3=O)C(=O)CC(C)(C)O2 ZINC000008815589 553151610 /nfs/dbraw/zinc/15/16/10/553151610.db2.gz KINGFKCXJJELNJ-UHFFFAOYSA-N 0 0 504.535 4.614 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OC)c(OCCCC)c2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 ZINC000008834094 553160484 /nfs/dbraw/zinc/16/04/84/553160484.db2.gz NZBHZGMQLDFDQT-SGXAETBLSA-N 0 0 504.605 4.860 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 ZINC000008834105 553160554 /nfs/dbraw/zinc/16/05/54/553160554.db2.gz FBESRXCAOQYEIH-SGXAETBLSA-N 0 0 504.605 4.860 40 30 KJEBRN CCCCOc1cc(/C=C2\S/C(=N/S(=O)(=O)c3ccccc3)N(CCCOC)C2=O)ccc1OC ZINC000008834181 553160882 /nfs/dbraw/zinc/16/08/82/553160882.db2.gz WOEHHKOXXIJAMI-LEGXJBLQSA-N 0 0 518.657 4.572 40 30 KJEBRN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccccc3C)C(=O)N2c2ccccc2)cc1 ZINC000008834245 553160877 /nfs/dbraw/zinc/16/08/77/553160877.db2.gz YCSYIGQFDBTENK-GYRUEZOASA-N 0 0 507.637 4.780 40 30 KJEBRN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccccc3C)C(=O)N2c2ccccc2)cc1 ZINC000008834246 553160870 /nfs/dbraw/zinc/16/08/70/553160870.db2.gz YCSYIGQFDBTENK-ZKZPFDSASA-N 0 0 507.637 4.780 40 30 KJEBRN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 ZINC000008834247 553160822 /nfs/dbraw/zinc/16/08/22/553160822.db2.gz YBNAHTGJNCOSSC-GYRUEZOASA-N 0 0 507.637 4.780 40 30 KJEBRN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 ZINC000008834248 553160853 /nfs/dbraw/zinc/16/08/53/553160853.db2.gz YBNAHTGJNCOSSC-ZKZPFDSASA-N 0 0 507.637 4.780 40 30 KJEBRN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000008834249 553160866 /nfs/dbraw/zinc/16/08/66/553160866.db2.gz ZKTRDIZFSLWIPQ-FPCFPJRVSA-N 0 0 511.600 4.610 40 30 KJEBRN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000008834250 553160842 /nfs/dbraw/zinc/16/08/42/553160842.db2.gz ZKTRDIZFSLWIPQ-ZAROTGLESA-N 0 0 511.600 4.610 40 30 KJEBRN Cc1ccc(Nc2nc(N=NCc3ccc(CN=Nc4nc(Nc5ccc(C)cc5)nc(N5CCOCC5)n4)cc3)nc(N3CCOCC3)n2)cc1 ZINC000008872695 553173777 /nfs/dbraw/zinc/17/37/77/553173777.db2.gz PHFNZHUBJAAJGC-DNJOOXRZSA-N 0 0 700.812 4.726 40 30 KJEBRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1sc(C)c(C)c1C#N ZINC000008896307 553178584 /nfs/dbraw/zinc/17/85/84/553178584.db2.gz NURBUNRYRWALEG-UHFFFAOYSA-N 0 0 503.241 4.897 40 30 KJEBRN CCOC(=O)c1sc(NC(=O)c2cc(Br)cc(Br)c2OC)c(C#N)c1C ZINC000008901318 553182064 /nfs/dbraw/zinc/18/20/64/553182064.db2.gz PIXOUEDEATVRJJ-UHFFFAOYSA-N 0 0 502.184 4.891 40 30 KJEBRN COc1cc(C=NN2C(=S)N=NC2C)cc(Br)c1OCc1ccc(Br)cc1 ZINC000008921102 553189531 /nfs/dbraw/zinc/18/95/31/553189531.db2.gz DBQIHNVJBJTRGB-ZVBGSRNCSA-N 0 0 512.227 4.870 40 30 KJEBRN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC(C)=O)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009009676 553199511 /nfs/dbraw/zinc/19/95/11/553199511.db2.gz KUCUPZPBWTYCCF-LCUIVBHPSA-N 0 0 522.557 4.554 40 30 KJEBRN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC(C)=O)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009009677 553199512 /nfs/dbraw/zinc/19/95/12/553199512.db2.gz KUCUPZPBWTYCCF-PCWGPIHSSA-N 0 0 522.557 4.554 40 30 KJEBRN N#CCCN(C(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)c1ccccc1 ZINC000009030150 553201372 /nfs/dbraw/zinc/20/13/72/553201372.db2.gz ATYOBHLKDFWQSF-CYVLTUHYSA-N 0 0 500.443 4.987 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000009165701 553215718 /nfs/dbraw/zinc/21/57/18/553215718.db2.gz NXADPDOIJIXCOX-ASDGIDEWSA-N 0 0 508.961 4.718 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)cc(Br)c1OCc1ccccc1 ZINC000009194320 553219600 /nfs/dbraw/zinc/21/96/00/553219600.db2.gz DLAWPEOAYPBPOL-FZXLDSQKSA-N 0 0 509.400 4.958 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OCC ZINC000009232944 553224043 /nfs/dbraw/zinc/22/40/43/553224043.db2.gz IQKZXQTXAQHAQB-CPNJWEJPSA-N 0 0 505.017 4.858 40 30 KJEBRN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 ZINC000009313412 553241137 /nfs/dbraw/zinc/24/11/37/553241137.db2.gz HOGUAOHMZSOHRS-GSTLAZBSSA-N 0 0 509.518 4.537 40 30 KJEBRN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 ZINC000009313413 553241082 /nfs/dbraw/zinc/24/10/82/553241082.db2.gz HOGUAOHMZSOHRS-GFQWBHFJSA-N 0 0 509.518 4.537 40 30 KJEBRN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 ZINC000009313415 553241118 /nfs/dbraw/zinc/24/11/18/553241118.db2.gz HOGUAOHMZSOHRS-DAMQTCOWSA-N 0 0 509.518 4.537 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(OC)cc3)NC2=O)cc(I)c1OC ZINC000009323808 553241550 /nfs/dbraw/zinc/24/15/50/553241550.db2.gz BSPKJUYZTALFJK-GZTJUZNOSA-N 0 0 510.353 4.599 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000009672853 553293970 /nfs/dbraw/zinc/29/39/70/553293970.db2.gz METJRGCBJMUFAP-DTNWAODDSA-N 0 0 500.595 4.991 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000009672854 553293926 /nfs/dbraw/zinc/29/39/26/553293926.db2.gz METJRGCBJMUFAP-JRWZBITLSA-N 0 0 500.595 4.991 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000009672855 553293883 /nfs/dbraw/zinc/29/38/83/553293883.db2.gz METJRGCBJMUFAP-GCNYQIMJSA-N 0 0 500.595 4.991 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000009672856 553293972 /nfs/dbraw/zinc/29/39/72/553293972.db2.gz METJRGCBJMUFAP-PNISEAIOSA-N 0 0 500.595 4.991 40 30 KJEBRN C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C#N ZINC000009695107 553300360 /nfs/dbraw/zinc/30/03/60/553300360.db2.gz MMNILTJHWKYXEA-UHFFFAOYSA-N 0 0 510.645 4.615 40 30 KJEBRN C=CCn1c(COc2ccccc2)nnc1SCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C#N ZINC000009695111 553300346 /nfs/dbraw/zinc/30/03/46/553300346.db2.gz ZEKVAQWFOVXZBV-UHFFFAOYSA-N 0 0 511.629 4.582 40 30 KJEBRN CCCOC(=O)CSc1nnc(NN=Cc2ccccc2OCc2cccc(Br)c2)[nH]1 ZINC000009695143 553300323 /nfs/dbraw/zinc/30/03/23/553300323.db2.gz YQIXUVADAGGUPE-FSJBWODESA-N 0 0 504.410 4.638 40 30 KJEBRN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc(Br)c1O ZINC000009968644 553321498 /nfs/dbraw/zinc/32/14/98/553321498.db2.gz VOJBLYMMHSKJRG-VTOVKPRRSA-N 0 0 501.377 4.784 40 30 KJEBRN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc(Br)c1O ZINC000009968646 553321738 /nfs/dbraw/zinc/32/17/38/553321738.db2.gz VOJBLYMMHSKJRG-ZPDQPEGFSA-N 0 0 501.377 4.784 40 30 KJEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cc(OC)c(OC)cc1Br ZINC000009968648 553321746 /nfs/dbraw/zinc/32/17/46/553321746.db2.gz RQRSEQSVLVMJDF-PECPSLTQSA-N 0 0 501.377 4.697 40 30 KJEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cc(OC)c(OC)cc1Br ZINC000009968649 553321713 /nfs/dbraw/zinc/32/17/13/553321713.db2.gz RQRSEQSVLVMJDF-MPEVJZSWSA-N 0 0 501.377 4.697 40 30 KJEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cc(OC)c(OC)cc1Br ZINC000009968650 553321721 /nfs/dbraw/zinc/32/17/21/553321721.db2.gz RQRSEQSVLVMJDF-HBMPAYLNSA-N 0 0 501.377 4.697 40 30 KJEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cc(OC)c(OC)cc1Br ZINC000009968651 553321693 /nfs/dbraw/zinc/32/16/93/553321693.db2.gz RQRSEQSVLVMJDF-IPLWYIACSA-N 0 0 501.377 4.697 40 30 KJEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000009968652 553321686 /nfs/dbraw/zinc/32/16/86/553321686.db2.gz XTLAAAIRTRCNKA-RHZWSATBSA-N 0 0 501.377 4.697 40 30 KJEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000009968653 553321689 /nfs/dbraw/zinc/32/16/89/553321689.db2.gz XTLAAAIRTRCNKA-DKIOLRDMSA-N 0 0 501.377 4.697 40 30 KJEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000009968654 553321731 /nfs/dbraw/zinc/32/17/31/553321731.db2.gz XTLAAAIRTRCNKA-PCFDJQJPSA-N 0 0 501.377 4.697 40 30 KJEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000009968655 553321701 /nfs/dbraw/zinc/32/17/01/553321701.db2.gz XTLAAAIRTRCNKA-VYAXVDJTSA-N 0 0 501.377 4.697 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000009985766 553323578 /nfs/dbraw/zinc/32/35/78/553323578.db2.gz JXWJBPDULVOJNO-DGUDUIIESA-N 0 0 509.624 4.936 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000009985785 553323629 /nfs/dbraw/zinc/32/36/29/553323629.db2.gz JXWJBPDULVOJNO-MVYHEMRASA-N 0 0 509.624 4.936 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000009993440 553323974 /nfs/dbraw/zinc/32/39/74/553323974.db2.gz UZRYBMUHEOUWNY-DFCKQENNSA-N 0 0 503.595 4.718 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000009993443 553323996 /nfs/dbraw/zinc/32/39/96/553323996.db2.gz UZRYBMUHEOUWNY-RCXJIHSJSA-N 0 0 503.595 4.718 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(CC)cc1 ZINC000009993453 553323972 /nfs/dbraw/zinc/32/39/72/553323972.db2.gz SRHXBBFOFIZBJY-ICTDUYRTSA-N 0 0 517.622 4.972 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(CC)cc1 ZINC000009993454 553323998 /nfs/dbraw/zinc/32/39/98/553323998.db2.gz SRHXBBFOFIZBJY-XCRWMPKNSA-N 0 0 517.622 4.972 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(CC)cc1 ZINC000009993456 553323981 /nfs/dbraw/zinc/32/39/81/553323981.db2.gz SRHXBBFOFIZBJY-CAVYSCNFSA-N 0 0 517.622 4.972 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(CC)cc1 ZINC000009993458 553323947 /nfs/dbraw/zinc/32/39/47/553323947.db2.gz SRHXBBFOFIZBJY-FDJWOJMMSA-N 0 0 517.622 4.972 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1sccc1C ZINC000009993461 553323953 /nfs/dbraw/zinc/32/39/53/553323953.db2.gz SRPKLZMSITXYEU-NGYIFUPDSA-N 0 0 509.624 4.779 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1sccc1C ZINC000009993464 553323976 /nfs/dbraw/zinc/32/39/76/553323976.db2.gz SRPKLZMSITXYEU-WNOPAQSVSA-N 0 0 509.624 4.779 40 30 KJEBRN Cc1ccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)n(-c3ccccc3)c2=O)cc1 ZINC000012041988 553350453 /nfs/dbraw/zinc/35/04/53/553350453.db2.gz WPOKQWYHRKAMNN-LZCSZACGSA-N 0 0 506.414 4.656 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000012042554 553350492 /nfs/dbraw/zinc/35/04/92/553350492.db2.gz FFCXSZXBVDEEOP-FXFSXJFASA-N 0 0 500.001 4.562 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000012042555 553350473 /nfs/dbraw/zinc/35/04/73/553350473.db2.gz FFCXSZXBVDEEOP-UAPGPWSHSA-N 0 0 500.001 4.562 40 30 KJEBRN Cc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000012042563 553350722 /nfs/dbraw/zinc/35/07/22/553350722.db2.gz BJZYWGUZJBBBPT-BPMVYWJCSA-N 0 0 514.028 4.871 40 30 KJEBRN Cc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000012042564 553350646 /nfs/dbraw/zinc/35/06/46/553350646.db2.gz BJZYWGUZJBBBPT-RTGZZVAKSA-N 0 0 514.028 4.871 40 30 KJEBRN CCN(Cc1ccccc1)c1ccc(/C=N/NC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000012311293 553357219 /nfs/dbraw/zinc/35/72/19/553357219.db2.gz NTLFIVKDBZOVIU-OVVQPSECSA-N 0 0 509.701 4.592 40 30 KJEBRN CSc1ccc(/C=N/n2c(-c3ccc(OC(F)F)cc3)cs/c2=N\CCN2CCOCC2)cc1 ZINC000012311350 553357156 /nfs/dbraw/zinc/35/71/56/553357156.db2.gz ORNVVKLMKPASCQ-POMQRZDRSA-N 0 0 504.628 4.655 40 30 KJEBRN CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](c2cccs2)C3)cc1 ZINC000012411730 553363558 /nfs/dbraw/zinc/36/35/58/553363558.db2.gz RCBZZVRCAVLPNA-YGOYIFOWSA-N 0 0 508.640 4.528 40 30 KJEBRN CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](c2cccs2)C3)cc1 ZINC000012411734 553363548 /nfs/dbraw/zinc/36/35/48/553363548.db2.gz RCBZZVRCAVLPNA-IGKWTDBASA-N 0 0 508.640 4.528 40 30 KJEBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000012489443 553379888 /nfs/dbraw/zinc/37/98/88/553379888.db2.gz LMWOFGWFEOIPMG-SQKRQBDJSA-N 0 0 510.291 4.642 40 30 KJEBRN CC(=O)OCCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2S(=O)(=O)C(F)(F)F)cc1 ZINC000012524053 553383212 /nfs/dbraw/zinc/38/32/12/553383212.db2.gz AUBOZFNHJJYYDE-OCEACIFDSA-N 0 0 513.454 4.587 40 30 KJEBRN c1ccc(N=NCc2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(CN=Nc4ccccn4)cc3)cc2)nc1 ZINC000012524173 553383204 /nfs/dbraw/zinc/38/32/04/553383204.db2.gz XQPFNEJHABWAAD-PMYDLKCTSA-N 0 0 510.554 4.525 40 30 KJEBRN c1ccc(N=NCc2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(CN=Nc4ccccn4)cc3)cc2)nc1 ZINC000012524174 553383183 /nfs/dbraw/zinc/38/31/83/553383183.db2.gz XQPFNEJHABWAAD-FIVJPWAGSA-N 0 0 510.554 4.525 40 30 KJEBRN c1ccc(N=NCc2ccc(O[C@H]3OCCO[C@H]3Oc3ccc(CN=Nc4ccccn4)cc3)cc2)nc1 ZINC000012524175 553383372 /nfs/dbraw/zinc/38/33/72/553383372.db2.gz XQPFNEJHABWAAD-SOOXXIQNSA-N 0 0 510.554 4.525 40 30 KJEBRN COc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])c(OC)c1OC ZINC000012529229 553385378 /nfs/dbraw/zinc/38/53/78/553385378.db2.gz QWIZNUNDQDWDFB-ZMOGYAJESA-N 0 0 520.951 4.521 40 30 KJEBRN COc1cc(CN=Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000012529339 553385677 /nfs/dbraw/zinc/38/56/77/553385677.db2.gz SADAKRAFIAPBCJ-ZMOGYAJESA-N 0 0 520.951 4.521 40 30 KJEBRN COc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc(Br)c1OCC(=O)N(C)C ZINC000012531510 553386394 /nfs/dbraw/zinc/38/63/94/553386394.db2.gz WJJNCISIOUCXMP-LIYJIWRQSA-N 0 0 522.399 4.631 40 30 KJEBRN COc1cc(OC)c(CN=Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])c(OC)c1 ZINC000012532423 553386574 /nfs/dbraw/zinc/38/65/74/553386574.db2.gz WYFAAIYEBFDMOQ-ZMOGYAJESA-N 0 0 520.951 4.521 40 30 KJEBRN COc1ccc(NC(=O)COc2ccc(/C=N/OCC(=O)Nc3cccc4ccccc43)cc2OC)cc1 ZINC000012540443 553388869 /nfs/dbraw/zinc/38/88/69/553388869.db2.gz QWVZKEFWRVUHEO-OCSSWDANSA-N 0 0 513.550 4.864 40 30 KJEBRN CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)nc1 ZINC000012546692 553391893 /nfs/dbraw/zinc/39/18/93/553391893.db2.gz HBJVMLHTGTYBSF-JFLMPSFJSA-N 0 0 503.024 4.799 40 30 KJEBRN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000012562373 553394938 /nfs/dbraw/zinc/39/49/38/553394938.db2.gz LZULXMSAUGJQIQ-YZSQISJMSA-N 0 0 512.588 4.659 40 30 KJEBRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000012570630 553398267 /nfs/dbraw/zinc/39/82/67/553398267.db2.gz FJSRCPCNAUXOQW-PCLIKHOPSA-N 0 0 516.963 4.507 40 30 KJEBRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012570736 553398318 /nfs/dbraw/zinc/39/83/18/553398318.db2.gz QGHSUTNXHGSZBW-OVVQPSECSA-N 0 0 516.583 4.678 40 30 KJEBRN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3ccc(Br)cc3)c([N+](=O)[O-])c2)cc1 ZINC000012582549 553399271 /nfs/dbraw/zinc/39/92/71/553399271.db2.gz PVTWVTZVAICBHI-LPYMAVHISA-N 0 0 505.350 4.613 40 30 KJEBRN CC(C)(C)P(=NC(=S)N/N=C/c1cccc(Cl)c1Cl)(N1CCOCC1)N1CCOCC1 ZINC000012589502 553399995 /nfs/dbraw/zinc/39/99/95/553399995.db2.gz XEUAHKSYPAYMHD-HZHRSRAPSA-N 0 0 506.440 4.696 40 30 KJEBRN CCc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012617311 553402951 /nfs/dbraw/zinc/40/29/51/553402951.db2.gz UAARTBMIOVTEOJ-UOJOKPEFSA-N 0 0 517.651 4.654 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000012621758 553403684 /nfs/dbraw/zinc/40/36/84/553403684.db2.gz MZKGWQBNFWFENN-FRDMNLSBSA-N 0 0 519.623 4.915 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000012621761 553403706 /nfs/dbraw/zinc/40/37/06/553403706.db2.gz MZKGWQBNFWFENN-WEBDSESRSA-N 0 0 519.623 4.915 40 30 KJEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N/c1ccc(OC(F)F)cc1 ZINC000012623785 553404488 /nfs/dbraw/zinc/40/44/88/553404488.db2.gz GQHVDXGSTVYUMI-JJEKXKKKSA-N 0 0 508.503 4.575 40 30 KJEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N/c1ccc(OC(F)F)cc1 ZINC000012623787 553404505 /nfs/dbraw/zinc/40/45/05/553404505.db2.gz GQHVDXGSTVYUMI-IWZUTMLHSA-N 0 0 508.503 4.575 40 30 KJEBRN N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000012649234 553409347 /nfs/dbraw/zinc/40/93/47/553409347.db2.gz HNMFPNHDZPJJDK-XLVZBRSZSA-N 0 0 504.999 4.603 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC)cc1 ZINC000012650387 553409551 /nfs/dbraw/zinc/40/95/51/553409551.db2.gz CEDYVZXBTXBRFW-XZIWVGPLSA-N 0 0 500.577 4.761 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC)cc1 ZINC000012650393 553409509 /nfs/dbraw/zinc/40/95/09/553409509.db2.gz CEDYVZXBTXBRFW-QAVUCBSXSA-N 0 0 500.577 4.761 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccccc1[N+](=O)[O-] ZINC000012650449 553409603 /nfs/dbraw/zinc/40/96/03/553409603.db2.gz QPDNEINGZGYREL-IAPHPCDNSA-N 0 0 515.548 4.661 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccccc1[N+](=O)[O-] ZINC000012650452 553409518 /nfs/dbraw/zinc/40/95/18/553409518.db2.gz QPDNEINGZGYREL-UMDYENTDSA-N 0 0 515.548 4.661 40 30 KJEBRN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012652488 553410066 /nfs/dbraw/zinc/41/00/66/553410066.db2.gz PGFQBLFLFHBEMB-OVVQPSECSA-N 0 0 518.599 4.924 40 30 KJEBRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000012661332 553412110 /nfs/dbraw/zinc/41/21/10/553412110.db2.gz DDHZWPSFJDFKDR-SNYFXBQVSA-N 0 0 534.697 4.749 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000012924174 553427509 /nfs/dbraw/zinc/42/75/09/553427509.db2.gz SKJNYNLWJAYONR-GEZLPURSSA-N 0 0 522.671 4.765 40 30 KJEBRN COc1cc(/C=N/n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N\C2CC2)ccc1OCc1ccccc1 ZINC000013095891 553446058 /nfs/dbraw/zinc/44/60/58/553446058.db2.gz VOLLFKCOUININK-UKGQMINFSA-N 0 0 514.607 4.554 40 30 KJEBRN CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)CO/N=C(\C)c1ccc2c(c1)OCO2 ZINC000013098441 553447216 /nfs/dbraw/zinc/44/72/16/553447216.db2.gz DKMRVDBXNZICGU-DHRITJCHSA-N 0 0 518.316 4.585 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013134629 553452237 /nfs/dbraw/zinc/45/22/37/553452237.db2.gz BKZWERMYSXCICS-JQVLARKSSA-N 0 0 523.634 4.772 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013134630 553452234 /nfs/dbraw/zinc/45/22/34/553452234.db2.gz BKZWERMYSXCICS-REWXACAPSA-N 0 0 523.634 4.772 40 30 KJEBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000013305270 553458210 /nfs/dbraw/zinc/45/82/10/553458210.db2.gz ZENHCJMQCSOUSH-KPSTZBGQSA-N 0 0 510.291 4.642 40 30 KJEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000013915684 553495776 /nfs/dbraw/zinc/49/57/76/553495776.db2.gz JGIGCKNAACBVMA-VULFUBBASA-N 0 0 513.348 4.507 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1ccc(Br)cc1 ZINC000014081398 553499969 /nfs/dbraw/zinc/49/99/69/553499969.db2.gz QYCLIITYLNNMAK-UHFFFAOYSA-N 0 0 501.406 4.801 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)nnc1-c1ccc(OC)cc1 ZINC000014083165 553499940 /nfs/dbraw/zinc/49/99/40/553499940.db2.gz IRAMTWZAMCZHNC-UHFFFAOYSA-N 0 0 512.657 4.988 40 30 KJEBRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000014087916 553500399 /nfs/dbraw/zinc/50/03/99/553500399.db2.gz KLHHICVQKCYJIP-UHFFFAOYSA-N 0 0 512.657 4.891 40 30 KJEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000014091810 553500514 /nfs/dbraw/zinc/50/05/14/553500514.db2.gz DRCAWQLSSKKWHX-UHFFFAOYSA-N 0 0 526.684 4.911 40 30 KJEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000014133303 553501796 /nfs/dbraw/zinc/50/17/96/553501796.db2.gz OCLHEORJCAATIH-UHFFFAOYSA-N 0 0 520.396 4.687 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000014133340 553501781 /nfs/dbraw/zinc/50/17/81/553501781.db2.gz SFAZKJZXVHLPSZ-UHFFFAOYSA-N 0 0 520.396 4.687 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133849 553502005 /nfs/dbraw/zinc/50/20/05/553502005.db2.gz PNGSUWFAFXJIJN-QFIPXVFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133850 553501973 /nfs/dbraw/zinc/50/19/73/553501973.db2.gz PNGSUWFAFXJIJN-JOCHJYFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133855 553502165 /nfs/dbraw/zinc/50/21/65/553502165.db2.gz MURRLPOADGEHJE-QFIPXVFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133856 553502142 /nfs/dbraw/zinc/50/21/42/553502142.db2.gz MURRLPOADGEHJE-JOCHJYFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133857 553502170 /nfs/dbraw/zinc/50/21/70/553502170.db2.gz UTTQGHLSPYXRDE-QFIPXVFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133858 553502179 /nfs/dbraw/zinc/50/21/79/553502179.db2.gz UTTQGHLSPYXRDE-JOCHJYFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133873 553502174 /nfs/dbraw/zinc/50/21/74/553502174.db2.gz KHRXRQVATVBGRD-GOSISDBHSA-N 0 0 505.069 4.740 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133874 553502188 /nfs/dbraw/zinc/50/21/88/553502188.db2.gz KHRXRQVATVBGRD-SFHVURJKSA-N 0 0 505.069 4.740 40 30 KJEBRN C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133883 553502161 /nfs/dbraw/zinc/50/21/61/553502161.db2.gz OHCAFHGELBZCHS-HSZRJFAPSA-N 0 0 512.079 4.696 40 30 KJEBRN C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133884 553502153 /nfs/dbraw/zinc/50/21/53/553502153.db2.gz OHCAFHGELBZCHS-QHCPKHFHSA-N 0 0 512.079 4.696 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(OCC)cc1 ZINC000014134147 553502300 /nfs/dbraw/zinc/50/23/00/553502300.db2.gz JFNOCHOTZPCMTA-UHFFFAOYSA-N 0 0 520.442 4.830 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccccc1CC ZINC000014134150 553502313 /nfs/dbraw/zinc/50/23/13/553502313.db2.gz XLSQIAKOUWOSBL-UHFFFAOYSA-N 0 0 504.443 4.994 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000014134158 553502324 /nfs/dbraw/zinc/50/23/24/553502324.db2.gz HVYHEFWIIGBKCW-UHFFFAOYSA-N 0 0 508.406 4.879 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000014134195 553502522 /nfs/dbraw/zinc/50/25/22/553502522.db2.gz KFCWITXLHNWPLI-GFCCVEGCSA-N 0 0 511.460 4.758 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000014134196 553502489 /nfs/dbraw/zinc/50/24/89/553502489.db2.gz KFCWITXLHNWPLI-LBPRGKRZSA-N 0 0 511.460 4.758 40 30 KJEBRN C=CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000014134201 553502535 /nfs/dbraw/zinc/50/25/35/553502535.db2.gz CCTGTQFYBVFUFN-OAHLLOKOSA-N 0 0 504.443 4.670 40 30 KJEBRN C=CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000014134202 553502533 /nfs/dbraw/zinc/50/25/33/553502533.db2.gz CCTGTQFYBVFUFN-HNNXBMFYSA-N 0 0 504.443 4.670 40 30 KJEBRN C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000014134203 553502510 /nfs/dbraw/zinc/50/25/10/553502510.db2.gz MQSBACJLOSHUCO-MRXNPFEDSA-N 0 0 518.470 4.713 40 30 KJEBRN C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000014134204 553502501 /nfs/dbraw/zinc/50/25/01/553502501.db2.gz MQSBACJLOSHUCO-INIZCTEOSA-N 0 0 518.470 4.713 40 30 KJEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000014134261 553502660 /nfs/dbraw/zinc/50/26/60/553502660.db2.gz RJGSVWRDFWCUTJ-UHFFFAOYSA-N 0 0 505.688 4.916 40 30 KJEBRN CC(C)C(=O)OCC(=O)[C@@]12O[C@@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C ZINC000014261579 553506690 /nfs/dbraw/zinc/50/66/90/553506690.db2.gz LUKZNWIVRBCLON-MDMPFDFKSA-N 0 0 540.697 4.704 40 30 fda KJEBRN COc1cc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000014361354 553514501 /nfs/dbraw/zinc/51/45/01/553514501.db2.gz YBWVHXDJNMMBFR-IXYNZTCPSA-N 0 0 513.472 4.816 40 30 KJEBRN COc1cc(C=NN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000014361355 553514523 /nfs/dbraw/zinc/51/45/23/553514523.db2.gz YBWVHXDJNMMBFR-VUCPWBMJSA-N 0 0 513.472 4.816 40 30 KJEBRN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000014361356 553514510 /nfs/dbraw/zinc/51/45/10/553514510.db2.gz NRTNDNVPOXPRDA-LPYMAVHISA-N 0 0 509.013 4.925 40 30 KJEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014361364 553514537 /nfs/dbraw/zinc/51/45/37/553514537.db2.gz IPQIPJCSXCPQII-KBKYJPHKSA-N 0 0 510.450 4.539 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=N/N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000014407998 553515775 /nfs/dbraw/zinc/51/57/75/553515775.db2.gz KMULCIQUIWKMRC-ZBGZBDLLSA-N 0 0 511.375 4.687 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000014408001 553515790 /nfs/dbraw/zinc/51/57/90/553515790.db2.gz KMULCIQUIWKMRC-JSHFSGHJSA-N 0 0 511.375 4.687 40 30 KJEBRN CCOC(=O)Cn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000014408265 553515771 /nfs/dbraw/zinc/51/57/71/553515771.db2.gz BFTPIRZQKIJBOM-ATDIIAFSSA-N 0 0 517.585 4.739 40 30 KJEBRN CCOC(=O)Cn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000014408268 553515769 /nfs/dbraw/zinc/51/57/69/553515769.db2.gz BFTPIRZQKIJBOM-MVHVYSHRSA-N 0 0 517.585 4.739 40 30 KJEBRN CCc1ccc(OCC(=O)N=C(NCCc2c[nH]c3ccc(Cl)cc23)Nc2nc(C)cc(C)n2)cc1 ZINC000014730347 553519445 /nfs/dbraw/zinc/51/94/45/553519445.db2.gz KJFSQAAKYLSRDN-UHFFFAOYSA-N 0 0 505.022 4.996 40 30 KJEBRN COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1 ZINC000015057140 553527059 /nfs/dbraw/zinc/52/70/59/553527059.db2.gz KSLDRAYRBFBWSC-XKZIYDEJSA-N 0 0 509.971 4.963 40 30 KJEBRN O=C(Cn1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc21)Nc1ccc(F)cc1 ZINC000015223905 553529146 /nfs/dbraw/zinc/52/91/46/553529146.db2.gz LFWOGDOBSJVNBQ-MWLSYYOVSA-N 0 0 500.555 4.885 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)cc(Br)c1OCc1ccccc1 ZINC000015223927 553529075 /nfs/dbraw/zinc/52/90/75/553529075.db2.gz DLAWPEOAYPBPOL-CNLRXSMUSA-N 0 0 509.400 4.958 40 30 KJEBRN COc1ccc(C/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000015320296 553531931 /nfs/dbraw/zinc/53/19/31/553531931.db2.gz SRPOFZAYZWHRGS-MLNTVTBVSA-N 0 0 507.587 4.872 40 30 KJEBRN COc1ccc(C/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000015320299 553531833 /nfs/dbraw/zinc/53/18/33/553531833.db2.gz SRPOFZAYZWHRGS-HZVWYJMBSA-N 0 0 507.587 4.872 40 30 KJEBRN N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N/C(=O)c1ccc(Cl)cc1Cl ZINC000015906133 553540393 /nfs/dbraw/zinc/54/03/93/553540393.db2.gz VQWXRCHIKGBREV-UQRQXUALSA-N 0 0 500.345 4.617 40 30 KJEBRN C/C(=N\n1c(-c2ccc(C)cc2)cs/c1=N\c1cc(S(=O)(=O)N(C)C)ccc1C)c1ccncc1 ZINC000015910766 553540847 /nfs/dbraw/zinc/54/08/47/553540847.db2.gz SYJVPVPVBNXPFS-JARGOHATSA-N 0 0 505.669 4.983 40 30 KJEBRN COc1cc(/C=N/NC(=S)NCCc2ccccc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000016035571 553552163 /nfs/dbraw/zinc/55/21/63/553552163.db2.gz OSIHGENDKMVKGE-OCSSWDANSA-N 0 0 504.656 4.679 40 30 KJEBRN O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F)N1CCCS/C1=N\c1ccccc1 ZINC000016043481 553553101 /nfs/dbraw/zinc/55/31/01/553553101.db2.gz LXNGEUPFOHPUJD-PQHDRGKASA-N 0 0 509.628 4.595 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000016044893 553554378 /nfs/dbraw/zinc/55/43/78/553554378.db2.gz PIQYCBDBIPKEAK-HFICXTOZSA-N 0 0 505.644 4.633 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000016044894 553554431 /nfs/dbraw/zinc/55/44/31/553554431.db2.gz PIQYCBDBIPKEAK-WAPWSGLKSA-N 0 0 505.644 4.633 40 30 KJEBRN COc1cc(Br)c(Br)c(C=Nc2ccc(NC(=S)NC(C)=O)cc2)c1O ZINC000016139086 553555613 /nfs/dbraw/zinc/55/56/13/553555613.db2.gz LLFZTIRDOUGVGS-DNTJNYDQSA-N 0 0 501.200 4.509 40 30 KJEBRN COC(=O)COc1cc(Cl)c([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1OC ZINC000016194876 553556382 /nfs/dbraw/zinc/55/63/82/553556382.db2.gz OXRMOFVZOIBHJR-VWLOTQADSA-N 0 0 523.010 4.713 40 30 KJEBRN COC(=O)COc1cc(Cl)c([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1OC ZINC000016194878 553556440 /nfs/dbraw/zinc/55/64/40/553556440.db2.gz OXRMOFVZOIBHJR-RUZDIDTESA-N 0 0 523.010 4.713 40 30 KJEBRN COc1ccc(-n2nc(-c3nnc(-c4ccccc4)o3)c3cc(-c4ccco4)c(C#N)c(N)c3c2=O)cc1 ZINC000016217534 553556992 /nfs/dbraw/zinc/55/69/92/553556992.db2.gz NWBXQWMCWJPBGB-UHFFFAOYSA-N 0 0 502.490 4.825 40 30 KJEBRN COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016249087 553557677 /nfs/dbraw/zinc/55/76/77/553557677.db2.gz OAKFJUORJWKVRW-CVKSISIWSA-N 0 0 503.471 4.852 40 30 KJEBRN CNC(=O)COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000016362819 553561327 /nfs/dbraw/zinc/56/13/27/553561327.db2.gz OAQSAABZEDIZJD-UHFFFAOYSA-N 0 0 529.077 4.797 40 30 KJEBRN NC(CC(N)=[NH+][N-]c1cc(Cl)c(Cl)cc1[N+](=O)[O-])=[NH+][N-]c1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000016383070 553561779 /nfs/dbraw/zinc/56/17/79/553561779.db2.gz OONRCQGEWXCFEU-UHFFFAOYSA-N 0 0 510.125 4.575 40 30 KJEBRN N#CC(=NNc1ccc(Br)cc1)C1=NC(=O)/C(=N/Nc2ccc(Br)cc2)S1 ZINC000016427916 553563184 /nfs/dbraw/zinc/56/31/84/553563184.db2.gz ZBZRKWIYIXJERA-MNXXMNJASA-N 0 0 506.183 4.601 40 30 KJEBRN O=C(CN1C(=O)c2ccccc2C1=O)N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000016451085 553565393 /nfs/dbraw/zinc/56/53/93/553565393.db2.gz ATYUGUZJRRGOES-DRFIAWCVSA-N 0 0 501.951 4.767 40 30 KJEBRN O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016524152 553566998 /nfs/dbraw/zinc/56/69/98/553566998.db2.gz ZWTLTTAIGYSROQ-KRUMMXJUSA-N 0 0 509.488 4.861 40 30 KJEBRN CCOc1cc(Br)c(Br)c(C=Nc2ccc(NC(=S)NC(C)=O)cc2)c1O ZINC000016688127 553572887 /nfs/dbraw/zinc/57/28/87/553572887.db2.gz WTLTXBHRFZFJQK-ZVBGSRNCSA-N 0 0 515.227 4.899 40 30 KJEBRN CCCCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016740951 553579574 /nfs/dbraw/zinc/57/95/74/553579574.db2.gz RGSCUDUFCKRUSL-RSZIFIBYSA-N 0 0 502.502 4.906 40 30 KJEBRN CCCCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016740952 553579629 /nfs/dbraw/zinc/57/96/29/553579629.db2.gz RGSCUDUFCKRUSL-XZFYQXKRSA-N 0 0 502.502 4.906 40 30 KJEBRN CCCCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016740953 553579639 /nfs/dbraw/zinc/57/96/39/553579639.db2.gz RGSCUDUFCKRUSL-UQCZPMNVSA-N 0 0 502.502 4.906 40 30 KJEBRN CCCCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016740954 553579647 /nfs/dbraw/zinc/57/96/47/553579647.db2.gz RGSCUDUFCKRUSL-QLUXOIDPSA-N 0 0 502.502 4.906 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nc2sc3c(c2c1=O)CCC3 ZINC000016755243 553581029 /nfs/dbraw/zinc/58/10/29/553581029.db2.gz MOWHIANNSDHZJB-UHFFFAOYSA-N 0 0 503.671 4.719 40 30 KJEBRN Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000016807361 553583424 /nfs/dbraw/zinc/58/34/24/553583424.db2.gz HHGQLINCPARIJI-JOCHJYFZSA-N 0 0 524.042 4.682 40 30 KJEBRN Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000016807363 553583475 /nfs/dbraw/zinc/58/34/75/553583475.db2.gz HHGQLINCPARIJI-QFIPXVFZSA-N 0 0 524.042 4.682 40 30 KJEBRN Cc1nc(Nc2ccc(C)cc2)sc1C(=O)C=C(NNC(N)=S)C(=O)Nc1ccc(Cl)cc1C ZINC000016958330 553585406 /nfs/dbraw/zinc/58/54/06/553585406.db2.gz MTEGJYBTUXWPGT-RDRPBHBLSA-N 0 0 515.064 4.866 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000018061134 553602515 /nfs/dbraw/zinc/60/25/15/553602515.db2.gz NXADPDOIJIXCOX-ROXDYWFKSA-N 0 0 508.961 4.718 40 30 KJEBRN CCOc1ccccc1NC(=S)N=C(NCCc1c[nH]c2ccc(OC)cc12)Nc1nc(C)cc(C)n1 ZINC000018063621 553602829 /nfs/dbraw/zinc/60/28/29/553602829.db2.gz OVADIZHAMMCSFU-UHFFFAOYSA-N 0 0 517.659 4.979 40 30 KJEBRN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000018063642 553602852 /nfs/dbraw/zinc/60/28/52/553602852.db2.gz ZQGRWHVDEIHHFK-UHFFFAOYSA-N 0 0 517.442 4.871 40 30 KJEBRN Cc1cc(C)nc(NC(=NC(=O)c2ccc(Br)cc2)NCCc2c[nH]c3ccc(F)cc23)n1 ZINC000018063784 553602837 /nfs/dbraw/zinc/60/28/37/553602837.db2.gz ZLQNBIDPDWWCQP-UHFFFAOYSA-N 0 0 509.383 4.917 40 30 KJEBRN COc1ccc(C=CC(=O)N=C(NCCc2c[nH]c3ccc(F)cc23)Nc2nc(C)cc(C)n2)cc1OC ZINC000018077245 553603591 /nfs/dbraw/zinc/60/35/91/553603591.db2.gz CAFNXRCRZCLNNQ-UXBLZVDNSA-N 0 0 516.577 4.571 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C2C(=N/NS(=O)(=O)c3ccc(C)cc3)/C3c4ccccc4C/2c2ccccc23)cc1 ZINC000018100331 553604082 /nfs/dbraw/zinc/60/40/82/553604082.db2.gz MGOVAXUZFOMFRS-JWTBXLROSA-N 0 0 570.696 4.563 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=N/N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018268678 553611917 /nfs/dbraw/zinc/61/19/17/553611917.db2.gz KMULCIQUIWKMRC-AGNYOIGNSA-N 0 0 511.375 4.687 40 30 KJEBRN CCOC(=O)Cn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000018270968 553611936 /nfs/dbraw/zinc/61/19/36/553611936.db2.gz BFTPIRZQKIJBOM-WFZAOLQZSA-N 0 0 517.585 4.739 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000019848833 553623899 /nfs/dbraw/zinc/62/38/99/553623899.db2.gz IHNLWQHAPDVLCN-RLSLOFABSA-N 0 0 507.608 4.619 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1OC ZINC000019848851 553623889 /nfs/dbraw/zinc/62/38/89/553623889.db2.gz XQFXPUXDFPXSAK-WURXVLGASA-N 0 0 533.621 4.796 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000019857979 553628911 /nfs/dbraw/zinc/62/89/11/553628911.db2.gz POHCCALWEPZEKA-VMDGZTHMSA-N 0 0 506.407 4.989 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000019892238 553630558 /nfs/dbraw/zinc/63/05/58/553630558.db2.gz OVAAZESDHZPRSU-WTYVLRPYSA-N 0 0 521.610 4.654 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000019892240 553630585 /nfs/dbraw/zinc/63/05/85/553630585.db2.gz OVAAZESDHZPRSU-MMTVBGGISA-N 0 0 521.610 4.654 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000019892242 553630548 /nfs/dbraw/zinc/63/05/48/553630548.db2.gz OVAAZESDHZPRSU-PIIWDFAUSA-N 0 0 521.610 4.654 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000019892245 553630543 /nfs/dbraw/zinc/63/05/43/553630543.db2.gz OVAAZESDHZPRSU-NGOKVRLYSA-N 0 0 521.610 4.654 40 30 KJEBRN O=[N+]([O-])c1ccc(N2CCN(CC#CC[C@](O)(c3ccccc3)c3ccccc3Br)CC2)cc1 ZINC000019972545 553649533 /nfs/dbraw/zinc/64/95/33/553649533.db2.gz SDGZZJGIOUOREY-MHZLTWQESA-N 0 0 520.427 4.809 40 30 KJEBRN O=[N+]([O-])c1ccc(N2CCN(CC#CC[C@@](O)(c3ccccc3)c3ccccc3Br)CC2)cc1 ZINC000019972546 553649438 /nfs/dbraw/zinc/64/94/38/553649438.db2.gz SDGZZJGIOUOREY-HHHXNRCGSA-N 0 0 520.427 4.809 40 30 KJEBRN CCN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000020016031 553659482 /nfs/dbraw/zinc/65/94/82/553659482.db2.gz HCICPOSZYYVXJG-UHFFFAOYSA-N 0 0 502.408 4.521 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000020123450 553591072 /nfs/dbraw/zinc/59/10/72/553591072.db2.gz HPCXPFNJSIBWTH-DGUDUIIESA-N 0 0 509.624 4.849 40 30 KJEBRN COc1cccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000020130379 553591408 /nfs/dbraw/zinc/59/14/08/553591408.db2.gz DRTWVYAWCLDIPI-RPPIVITFSA-N 0 0 509.624 4.849 40 30 KJEBRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(NN=Cc3ccc(Cl)cc3)[nH]1)CCCC2 ZINC000020168353 553600847 /nfs/dbraw/zinc/60/08/47/553600847.db2.gz HUCJBMLSLWIVPX-BHGWPJFGSA-N 0 0 519.052 4.752 40 30 KJEBRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(NN=Cc3ccccc3Cl)[nH]1)CCCC2 ZINC000020168355 553600836 /nfs/dbraw/zinc/60/08/36/553600836.db2.gz VPWLXBGPVXSMFG-BHGWPJFGSA-N 0 0 519.052 4.752 40 30 KJEBRN CCOC(=O)c1ccc(/N=C2\S/C(=C\C(=O)OC)C(=O)N2CCc2ccc(OCC)c(OCC)c2)cc1 ZINC000020177411 553602720 /nfs/dbraw/zinc/60/27/20/553602720.db2.gz WLTOEQJRRWDBGY-KUSDYQRKSA-N 0 0 526.611 4.523 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000020190521 553605553 /nfs/dbraw/zinc/60/55/53/553605553.db2.gz HCPLBKQSEOCQFM-YHJVDBJQSA-N 0 0 511.562 4.615 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000020190650 553605654 /nfs/dbraw/zinc/60/56/54/553605654.db2.gz LRNVPKNWZXOBIX-FOPRYUNUSA-N 0 0 512.455 4.903 40 30 KJEBRN COC(=O)c1ccc(NC(=O)/C=C2\S/C(=N/CCc3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000020220820 553616098 /nfs/dbraw/zinc/61/60/98/553616098.db2.gz KWTYCPAEQKYECH-WZOBCVBHSA-N 0 0 513.619 4.712 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCCc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000020248475 553629083 /nfs/dbraw/zinc/62/90/83/553629083.db2.gz CMZUSHRTYOABFN-PGWWVJEZSA-N 0 0 505.615 4.758 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@H](CC(=O)NCCc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000020248478 553629029 /nfs/dbraw/zinc/62/90/29/553629029.db2.gz CMZUSHRTYOABFN-FZWCJVCJSA-N 0 0 505.615 4.758 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1OC ZINC000020266170 553630362 /nfs/dbraw/zinc/63/03/62/553630362.db2.gz CHYJYNCZKGIVGH-HZHRSRAPSA-N 0 0 500.020 4.729 40 30 KJEBRN CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc(Oc4ccccc4)c3)[nH]2)c1 ZINC000020310210 553637225 /nfs/dbraw/zinc/63/72/25/553637225.db2.gz PXIJLSWFUHFZPX-CVKSISIWSA-N 0 0 501.572 4.732 40 30 KJEBRN COc1ccc(OC)c([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 ZINC000020323897 553638243 /nfs/dbraw/zinc/63/82/43/553638243.db2.gz BDKZTGMDFCJXSS-FGJOCGMUSA-N 0 0 521.585 4.927 40 30 KJEBRN O=C(CSc1nnc(NN=Cc2ccc(COc3ccc(F)cc3)o2)[nH]1)NC1C2CC3CC(C2)CC1C3 ZINC000020478719 553657482 /nfs/dbraw/zinc/65/74/82/553657482.db2.gz PYYIPRRRAFAPMX-KVSWJAHQSA-N 0 0 524.622 4.595 40 30 KJEBRN CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)[nH]2)cc1 ZINC000020608650 553678170 /nfs/dbraw/zinc/67/81/70/553678170.db2.gz MMLOMJXYZUTRFZ-VULFUBBASA-N 0 0 508.677 4.640 40 30 KJEBRN CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCC(=O)Nc3ccc(C)cc3Br)[nH]2)cc1 ZINC000020608651 553678182 /nfs/dbraw/zinc/67/81/82/553678182.db2.gz PBWFHHQYNYCAQO-ZMOGYAJESA-N 0 0 516.469 4.899 40 30 KJEBRN COc1ccccc1[C@@H]1[C@]2(C#N)CN(c3ccccc3)C[C@@]1(C#N)C1=NCN(c3ccccc3)CN1C2=S ZINC000020624671 553680928 /nfs/dbraw/zinc/68/09/28/553680928.db2.gz SIPHZQAELDGGRL-DEIHTGSNSA-N 0 0 518.646 4.796 40 30 KJEBRN COc1ccccc1[C@H]1[C@]2(C#N)CN(c3ccccc3)C[C@@]1(C#N)C1=NCN(c3ccccc3)CN1C2=S ZINC000020624673 553681082 /nfs/dbraw/zinc/68/10/82/553681082.db2.gz SIPHZQAELDGGRL-XUEBXJBISA-N 0 0 518.646 4.796 40 30 KJEBRN COc1cc(C2CC(=O)C(=C3N(Cc4ccccc4)CCN3Cc3ccccc3)C(=O)C2)cc(OC)c1OC ZINC000020800766 553698245 /nfs/dbraw/zinc/69/82/45/553698245.db2.gz LAOCKUVUAZDIJH-UHFFFAOYSA-N 0 0 526.633 4.958 40 30 KJEBRN COc1ccc2[nH]cc(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3ccc(C)cc3)c2c1 ZINC000021122894 553707224 /nfs/dbraw/zinc/70/72/24/553707224.db2.gz ZOPYRWHHMPMTHE-UHFFFAOYSA-N 0 0 502.644 4.811 40 30 KJEBRN O=C(Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC(=O)c2ccco2)c1)c1ccco1 ZINC000021487100 553710152 /nfs/dbraw/zinc/71/01/52/553710152.db2.gz CIVDCKLZRDODPJ-ZMOGYAJESA-N 0 0 506.383 4.573 40 30 KJEBRN C=CCOC(=O)C1=C(NCCc2ccccc2)C[C@@](C)(O)[C@@H](C(=O)OCC=C)[C@@H]1c1ccc(Cl)cc1 ZINC000022172706 553727396 /nfs/dbraw/zinc/72/73/96/553727396.db2.gz DXMXJJFFACEERK-PIRIWWGTSA-N 0 0 510.030 4.739 40 30 KJEBRN C=CCOC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@@H](C(=O)OCC=C)[C@@H]1c1ccc(Cl)cc1 ZINC000022172710 553727334 /nfs/dbraw/zinc/72/73/34/553727334.db2.gz DXMXJJFFACEERK-YPZXTKLSSA-N 0 0 510.030 4.739 40 30 KJEBRN C=CCOC(=O)C1=C(NCCc2ccccc2)C[C@@](C)(O)[C@@H](C(=O)OCC=C)[C@H]1c1ccc(Cl)cc1 ZINC000022172714 553727393 /nfs/dbraw/zinc/72/73/93/553727393.db2.gz DXMXJJFFACEERK-IHTKTJBKSA-N 0 0 510.030 4.739 40 30 KJEBRN C=CCOC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@@H](C(=O)OCC=C)[C@H]1c1ccc(Cl)cc1 ZINC000022172718 553727430 /nfs/dbraw/zinc/72/74/30/553727430.db2.gz DXMXJJFFACEERK-JDBUMTGOSA-N 0 0 510.030 4.739 40 30 KJEBRN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(I)cc1 ZINC000022257854 553733675 /nfs/dbraw/zinc/73/36/75/553733675.db2.gz PTOLYWHDHNQZOH-UHFFFAOYSA-N 0 0 509.731 4.588 40 30 KJEBRN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3nc(C(F)(F)F)nn32)c1 ZINC000022821965 553751690 /nfs/dbraw/zinc/75/16/90/553751690.db2.gz NHVGPJFWHMAIOO-IVZQSRNASA-N 0 0 500.477 4.738 40 30 KJEBRN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3nc(C(F)(F)F)nn32)c1 ZINC000022821971 553751687 /nfs/dbraw/zinc/75/16/87/553751687.db2.gz NHVGPJFWHMAIOO-QRQCRPRQSA-N 0 0 500.477 4.738 40 30 KJEBRN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3nc(C(F)(F)F)nn32)c1 ZINC000022821978 553751712 /nfs/dbraw/zinc/75/17/12/553751712.db2.gz NHVGPJFWHMAIOO-OYHNWAKOSA-N 0 0 500.477 4.738 40 30 KJEBRN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3nc(C(F)(F)F)nn32)c1 ZINC000022821986 553751665 /nfs/dbraw/zinc/75/16/65/553751665.db2.gz NHVGPJFWHMAIOO-NYHFZMIOSA-N 0 0 500.477 4.738 40 30 KJEBRN COc1cc([C@@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3ccccc3)C2)cc(OC)c1OC ZINC000022821993 553751704 /nfs/dbraw/zinc/75/17/04/553751704.db2.gz ZBQVPENSVZGYDU-LHSJRXKWSA-N 0 0 500.477 4.738 40 30 KJEBRN COc1cc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3ccccc3)C2)cc(OC)c1OC ZINC000022822000 553751685 /nfs/dbraw/zinc/75/16/85/553751685.db2.gz ZBQVPENSVZGYDU-SPLOXXLWSA-N 0 0 500.477 4.738 40 30 KJEBRN COc1cc([C@@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@H]3c3ccccc3)C2)cc(OC)c1OC ZINC000022822012 553751674 /nfs/dbraw/zinc/75/16/74/553751674.db2.gz ZBQVPENSVZGYDU-QKKBWIMNSA-N 0 0 500.477 4.738 40 30 KJEBRN COc1cc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@H]3c3ccccc3)C2)cc(OC)c1OC ZINC000022822020 553751663 /nfs/dbraw/zinc/75/16/63/553751663.db2.gz ZBQVPENSVZGYDU-SZNDQCEHSA-N 0 0 500.477 4.738 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cn(CC(=O)NC3CC3)c3ccccc23)C1=O ZINC000022824506 553752218 /nfs/dbraw/zinc/75/22/18/553752218.db2.gz XQNLRZFQXOFESM-UCQKPKSFSA-N 0 0 501.608 4.772 40 30 KJEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@]12c1cccc3c1N(C2=O)C1(CCCCC1)C[C@@H]3C ZINC000022828452 553753879 /nfs/dbraw/zinc/75/38/79/553753879.db2.gz KUCCYHQNGJTULH-NOVUIFNWSA-N 0 0 504.627 4.888 40 30 KJEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@]12c1cccc3c1N(C2=O)C1(CCCCC1)C[C@@H]3C ZINC000022828457 553753811 /nfs/dbraw/zinc/75/38/11/553753811.db2.gz KUCCYHQNGJTULH-ZOKDDAQRSA-N 0 0 504.627 4.888 40 30 KJEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@]12c1cccc3c1N(C2=O)C1(CCCCC1)C[C@H]3C ZINC000022828461 553753892 /nfs/dbraw/zinc/75/38/92/553753892.db2.gz KUCCYHQNGJTULH-BJLXPSRBSA-N 0 0 504.627 4.888 40 30 KJEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@]12c1cccc3c1N(C2=O)C1(CCCCC1)C[C@H]3C ZINC000022828466 553753800 /nfs/dbraw/zinc/75/38/00/553753800.db2.gz KUCCYHQNGJTULH-ZQHDKMAOSA-N 0 0 504.627 4.888 40 30 KJEBRN CCC(=O)NC(=S)Nc1ccc(/N=C/c2c(O)c(OC)cc(Br)c2Br)cc1 ZINC000022839636 553758286 /nfs/dbraw/zinc/75/82/86/553758286.db2.gz MNXMDHUOPWXXEO-ZVBGSRNCSA-N 0 0 515.227 4.899 40 30 KJEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000022839793 553758307 /nfs/dbraw/zinc/75/83/07/553758307.db2.gz NDNKYFVUTZXXSR-LHSJRXKWSA-N 0 0 515.448 4.638 40 30 KJEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000022839798 553758309 /nfs/dbraw/zinc/75/83/09/553758309.db2.gz NDNKYFVUTZXXSR-SPLOXXLWSA-N 0 0 515.448 4.638 40 30 KJEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@H]3c3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000022839803 553758347 /nfs/dbraw/zinc/75/83/47/553758347.db2.gz NDNKYFVUTZXXSR-QKKBWIMNSA-N 0 0 515.448 4.638 40 30 KJEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@H]3c3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000022839807 553758263 /nfs/dbraw/zinc/75/82/63/553758263.db2.gz NDNKYFVUTZXXSR-SZNDQCEHSA-N 0 0 515.448 4.638 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(CC)cc3)N(C)C2=O)cc(Br)c1OCC(N)=O ZINC000022843088 553759297 /nfs/dbraw/zinc/75/92/97/553759297.db2.gz JWKRJKYRAWNZNR-SMDKXQNSSA-N 0 0 518.433 4.508 40 30 KJEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2C1 ZINC000022861034 553762891 /nfs/dbraw/zinc/76/28/91/553762891.db2.gz RUIYYEYXVRWIEN-OAHLLOKOSA-N 0 0 527.672 4.642 40 30 KJEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2C1 ZINC000022861037 553762897 /nfs/dbraw/zinc/76/28/97/553762897.db2.gz RUIYYEYXVRWIEN-HNNXBMFYSA-N 0 0 527.672 4.642 40 30 KJEBRN COc1ccc(-c2nc3sc4c(nc(N)c(C#N)c4-c4ccc(Cl)cc4)n3c(=O)c2C#N)cc1OC ZINC000024718299 553791352 /nfs/dbraw/zinc/79/13/52/553791352.db2.gz KOBLFEUMLHDMSV-UHFFFAOYSA-N 0 0 514.954 4.634 40 30 KJEBRN COc1cc(CN=Nc2nc(Cl)c(Cl)cc2Cl)ccc1OCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000025422861 553808556 /nfs/dbraw/zinc/80/85/56/553808556.db2.gz ZVSHFQAOKNLIOC-WQPBVLBJSA-N 0 0 501.798 4.511 40 30 KJEBRN COc1cc(CN=Nc2nc(Cl)c(Cl)cc2Cl)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000025422866 553808599 /nfs/dbraw/zinc/80/85/99/553808599.db2.gz ZVSHFQAOKNLIOC-VSJYYZJYSA-N 0 0 501.798 4.511 40 30 KJEBRN COc1cc(CN=Nc2nc(Cl)c(Cl)cc2Cl)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000025422871 553808605 /nfs/dbraw/zinc/80/86/05/553808605.db2.gz ZVSHFQAOKNLIOC-CZHUAYJMSA-N 0 0 501.798 4.511 40 30 KJEBRN Cc1ccc(S(=O)(=O)C(=CNNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N=Nc2ccc(Cl)cc2)cc1 ZINC000025500940 553809446 /nfs/dbraw/zinc/80/94/46/553809446.db2.gz COOGTFJWHNGOQG-NINGPYJVSA-N 0 0 516.923 4.762 40 30 KJEBRN C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000025964810 553814342 /nfs/dbraw/zinc/81/43/42/553814342.db2.gz DSDNAKHZNJAGHN-DDGCADMVSA-N 0 0 628.718 4.745 40 30 in-vitro KJEBRN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000026570541 1067208238 /nfs/dbraw/zinc/20/82/38/1067208238.db2.gz WJTQOZAOMHFQIE-CPYLFOLBSA-N 0 0 510.434 4.777 40 30 KJEBRN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000026570545 1067208087 /nfs/dbraw/zinc/20/80/87/1067208087.db2.gz WJTQOZAOMHFQIE-CCPXZDFDSA-N 0 0 510.434 4.777 40 30 KJEBRN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000026570549 553819461 /nfs/dbraw/zinc/81/94/61/553819461.db2.gz OORYINMSCUEYAF-HOSHDJOUSA-N 0 0 506.471 4.947 40 30 KJEBRN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000026570553 553819502 /nfs/dbraw/zinc/81/95/02/553819502.db2.gz OORYINMSCUEYAF-CSYCHJTNSA-N 0 0 506.471 4.947 40 30 KJEBRN CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=Nc3c[nH]c(=O)[nH]c3=O)cc2OC)cc1 ZINC000027902741 553836695 /nfs/dbraw/zinc/83/66/95/553836695.db2.gz MMFGTJHUCVAODL-LQKURTRISA-N 0 0 515.994 4.893 40 30 KJEBRN N#C/C(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)=c1\s/c(=C/c2ccc(Cl)cc2)c(=O)n1-c1ccccc1 ZINC000029501287 553846296 /nfs/dbraw/zinc/84/62/96/553846296.db2.gz OBALUIWKPUGEFW-INHZKVBXSA-N 0 0 617.174 4.989 40 30 KJEBRN N#C/C(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)=c1/s/c(=C\c2ccc(Cl)cc2)c(=O)n1-c1ccccc1 ZINC000029501296 553846338 /nfs/dbraw/zinc/84/63/38/553846338.db2.gz OBALUIWKPUGEFW-IMPKUPCNSA-N 0 0 617.174 4.989 40 30 KJEBRN COc1c(Br)cc(Br)cc1CN=Nc1nc(Nc2ccc(F)cc2)nc(N(C)C)n1 ZINC000030072452 553855215 /nfs/dbraw/zinc/85/52/15/553855215.db2.gz YWJZTZKOOAWDBZ-AUEPDCJTSA-N 0 0 539.207 4.800 40 30 KJEBRN CC(=O)Nc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCc3ccc(C#N)cc3)C[C@H]2C(C)C)cc1 ZINC000030882026 291857676 /nfs/dbraw/zinc/85/76/76/291857676.db2.gz KYDHXXMPZPSSSK-NSVAZKTRSA-N 0 0 500.643 4.808 40 30 biogenic,in-vitro KJEBRN O=[N+]([O-])c1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1SCCO ZINC000032124983 553865874 /nfs/dbraw/zinc/86/58/74/553865874.db2.gz YUNZMRSRIWUDTA-XYGWBWBKSA-N 0 0 502.560 4.797 40 30 KJEBRN Cc1ccc(Sc2ccc(C=NN=c3nc(N4CCCC4)[nH]c(N4CCCC4)n3)cc2[N+](=O)[O-])cc1 ZINC000032125018 553866064 /nfs/dbraw/zinc/86/60/64/553866064.db2.gz UJVVUXKVPPFIDJ-ONUIUJJFSA-N 0 0 504.620 4.886 40 30 KJEBRN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)S2)cc1 ZINC000032138996 553866912 /nfs/dbraw/zinc/86/69/12/553866912.db2.gz GXXHPQJWMXQCDD-GZTJUZNOSA-N 0 0 510.353 4.599 40 30 KJEBRN CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502620 553867325 /nfs/dbraw/zinc/86/73/25/553867325.db2.gz OOMALBKFDZJAAQ-DCBGODGVSA-N 0 0 525.740 4.793 40 30 KJEBRN CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502622 553867256 /nfs/dbraw/zinc/86/72/56/553867256.db2.gz OOMALBKFDZJAAQ-ONHXGZLXSA-N 0 0 525.740 4.793 40 30 KJEBRN CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502624 553867382 /nfs/dbraw/zinc/86/73/82/553867382.db2.gz OOMALBKFDZJAAQ-WZUYCOPKSA-N 0 0 525.740 4.793 40 30 KJEBRN CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502625 553867393 /nfs/dbraw/zinc/86/73/93/553867393.db2.gz OOMALBKFDZJAAQ-GHUTUOLISA-N 0 0 525.740 4.793 40 30 KJEBRN CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502627 553867404 /nfs/dbraw/zinc/86/74/04/553867404.db2.gz FHLAMJWKRDNAAB-DKMLNRGDSA-N 0 0 511.713 4.547 40 30 KJEBRN CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502629 553867366 /nfs/dbraw/zinc/86/73/66/553867366.db2.gz FHLAMJWKRDNAAB-CRBNOVAWSA-N 0 0 511.713 4.547 40 30 KJEBRN CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502631 553867317 /nfs/dbraw/zinc/86/73/17/553867317.db2.gz FHLAMJWKRDNAAB-UEKNMVOQSA-N 0 0 511.713 4.547 40 30 KJEBRN CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502633 553867356 /nfs/dbraw/zinc/86/73/56/553867356.db2.gz FHLAMJWKRDNAAB-AHFSYRQFSA-N 0 0 511.713 4.547 40 30 KJEBRN CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502635 553867270 /nfs/dbraw/zinc/86/72/70/553867270.db2.gz VLEBOKMDBKRGRL-RCFKLSBRSA-N 0 0 525.740 4.937 40 30 KJEBRN CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502637 553867278 /nfs/dbraw/zinc/86/72/78/553867278.db2.gz VLEBOKMDBKRGRL-IOQZQKTPSA-N 0 0 525.740 4.937 40 30 KJEBRN CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502639 553867296 /nfs/dbraw/zinc/86/72/96/553867296.db2.gz VLEBOKMDBKRGRL-DSGJFLEBSA-N 0 0 525.740 4.937 40 30 KJEBRN CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502641 553867304 /nfs/dbraw/zinc/86/73/04/553867304.db2.gz VLEBOKMDBKRGRL-VPMQUISKSA-N 0 0 525.740 4.937 40 30 KJEBRN CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502659 553867398 /nfs/dbraw/zinc/86/73/98/553867398.db2.gz SIFKVZLQKFVFSG-RCFKLSBRSA-N 0 0 525.740 4.793 40 30 KJEBRN CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502661 553867232 /nfs/dbraw/zinc/86/72/32/553867232.db2.gz SIFKVZLQKFVFSG-IOQZQKTPSA-N 0 0 525.740 4.793 40 30 KJEBRN CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502663 553867287 /nfs/dbraw/zinc/86/72/87/553867287.db2.gz SIFKVZLQKFVFSG-DSGJFLEBSA-N 0 0 525.740 4.793 40 30 KJEBRN CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502665 553867377 /nfs/dbraw/zinc/86/73/77/553867377.db2.gz SIFKVZLQKFVFSG-VPMQUISKSA-N 0 0 525.740 4.793 40 30 KJEBRN CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502668 553867412 /nfs/dbraw/zinc/86/74/12/553867412.db2.gz ICOVFACSVIKABY-AJBAMGGISA-N 0 0 525.740 4.793 40 30 KJEBRN CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502670 553867333 /nfs/dbraw/zinc/86/73/33/553867333.db2.gz ICOVFACSVIKABY-UXUULGICSA-N 0 0 525.740 4.793 40 30 KJEBRN CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032502672 553867551 /nfs/dbraw/zinc/86/75/51/553867551.db2.gz ICOVFACSVIKABY-HNILXWAESA-N 0 0 525.740 4.793 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000032506252 553867909 /nfs/dbraw/zinc/86/79/09/553867909.db2.gz JBJYNTVXIPUGHO-JUPIIPBASA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000032506254 553867906 /nfs/dbraw/zinc/86/79/06/553867906.db2.gz JBJYNTVXIPUGHO-SIZOGPLSSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000032506256 553867982 /nfs/dbraw/zinc/86/79/82/553867982.db2.gz JBJYNTVXIPUGHO-UNNKNQQXSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000032506258 553867917 /nfs/dbraw/zinc/86/79/17/553867917.db2.gz JBJYNTVXIPUGHO-BEGJPEKJSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032506260 553867959 /nfs/dbraw/zinc/86/79/59/553867959.db2.gz BRASCGZAUDFIOZ-JUPIIPBASA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032506261 553867979 /nfs/dbraw/zinc/86/79/79/553867979.db2.gz BRASCGZAUDFIOZ-SIZOGPLSSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032506263 553867930 /nfs/dbraw/zinc/86/79/30/553867930.db2.gz BRASCGZAUDFIOZ-UNNKNQQXSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032506265 553867913 /nfs/dbraw/zinc/86/79/13/553867913.db2.gz BRASCGZAUDFIOZ-BEGJPEKJSA-N 0 0 502.967 4.511 40 30 KJEBRN O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000032506517 553868128 /nfs/dbraw/zinc/86/81/28/553868128.db2.gz HQQLCOQEHDXSKX-KAFFQGCSSA-N 0 0 508.465 4.639 40 30 KJEBRN O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000032506519 553868120 /nfs/dbraw/zinc/86/81/20/553868120.db2.gz HQQLCOQEHDXSKX-BABBMTSFSA-N 0 0 508.465 4.639 40 30 KJEBRN O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000032506520 553868131 /nfs/dbraw/zinc/86/81/31/553868131.db2.gz HQQLCOQEHDXSKX-RDELNXGOSA-N 0 0 508.465 4.639 40 30 KJEBRN O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000032506521 553868147 /nfs/dbraw/zinc/86/81/47/553868147.db2.gz HQQLCOQEHDXSKX-NTSPPMLYSA-N 0 0 508.465 4.639 40 30 KJEBRN CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032506557 553868156 /nfs/dbraw/zinc/86/81/56/553868156.db2.gz YDYBABLIXATVNR-SAQHTDILSA-N 0 0 502.502 4.762 40 30 KJEBRN CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032506559 553868103 /nfs/dbraw/zinc/86/81/03/553868103.db2.gz YDYBABLIXATVNR-HZOQXCJJSA-N 0 0 502.502 4.762 40 30 KJEBRN CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032506561 553868144 /nfs/dbraw/zinc/86/81/44/553868144.db2.gz YDYBABLIXATVNR-OQTOFKCSSA-N 0 0 502.502 4.762 40 30 KJEBRN CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032506563 553868094 /nfs/dbraw/zinc/86/80/94/553868094.db2.gz YDYBABLIXATVNR-UVIWCIPMSA-N 0 0 502.502 4.762 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000032508006 553868671 /nfs/dbraw/zinc/86/86/71/553868671.db2.gz ZMYJJAMDEPRJNV-JUPIIPBASA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000032508007 553868659 /nfs/dbraw/zinc/86/86/59/553868659.db2.gz ZMYJJAMDEPRJNV-SIZOGPLSSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000032508008 553868944 /nfs/dbraw/zinc/86/89/44/553868944.db2.gz ZMYJJAMDEPRJNV-UNNKNQQXSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000032508009 553868989 /nfs/dbraw/zinc/86/89/89/553868989.db2.gz ZMYJJAMDEPRJNV-BEGJPEKJSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000032508010 553868901 /nfs/dbraw/zinc/86/89/01/553868901.db2.gz FSQNJLGRIHDTPB-JUPIIPBASA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000032508011 553868981 /nfs/dbraw/zinc/86/89/81/553868981.db2.gz FSQNJLGRIHDTPB-SIZOGPLSSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000032508012 553868894 /nfs/dbraw/zinc/86/88/94/553868894.db2.gz FSQNJLGRIHDTPB-UNNKNQQXSA-N 0 0 502.967 4.511 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000032508013 553868950 /nfs/dbraw/zinc/86/89/50/553868950.db2.gz FSQNJLGRIHDTPB-BEGJPEKJSA-N 0 0 502.967 4.511 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000032634928 553871152 /nfs/dbraw/zinc/87/11/52/553871152.db2.gz RJIAVUWMBWJCPT-BEGJPEKJSA-N 0 0 502.967 4.593 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000032634929 553871149 /nfs/dbraw/zinc/87/11/49/553871149.db2.gz RJIAVUWMBWJCPT-SIZOGPLSSA-N 0 0 502.967 4.593 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000032634930 553871151 /nfs/dbraw/zinc/87/11/51/553871151.db2.gz RJIAVUWMBWJCPT-UNNKNQQXSA-N 0 0 502.967 4.593 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000032634931 553871147 /nfs/dbraw/zinc/87/11/47/553871147.db2.gz RJIAVUWMBWJCPT-JUPIIPBASA-N 0 0 502.967 4.593 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000032639432 553871671 /nfs/dbraw/zinc/87/16/71/553871671.db2.gz NMQBRPAKLKMIRC-BEGJPEKJSA-N 0 0 502.967 4.593 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000032639433 553871692 /nfs/dbraw/zinc/87/16/92/553871692.db2.gz NMQBRPAKLKMIRC-SIZOGPLSSA-N 0 0 502.967 4.593 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000032639434 553871604 /nfs/dbraw/zinc/87/16/04/553871604.db2.gz NMQBRPAKLKMIRC-UNNKNQQXSA-N 0 0 502.967 4.593 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000032639435 553871632 /nfs/dbraw/zinc/87/16/32/553871632.db2.gz NMQBRPAKLKMIRC-JUPIIPBASA-N 0 0 502.967 4.593 40 30 KJEBRN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000033354170 553928657 /nfs/dbraw/zinc/92/86/57/553928657.db2.gz UPMVENFFJFSXEN-YGXLPCTBSA-N 0 0 563.647 4.805 40 30 KJEBRN O=C(OC(F)(F)C(F)F)c1ccc(N2CCN(C(=O)c3ccc(OC(F)(F)C(F)F)cc3)CC2)cc1 ZINC000033354896 553931922 /nfs/dbraw/zinc/93/19/22/553931922.db2.gz XGXFFEHWCJXRQG-UHFFFAOYSA-N 0 0 526.380 4.900 40 30 KJEBRN COc1cc(CN=Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCCCCC3)n2)cc(Br)c1O ZINC000033355013 553932811 /nfs/dbraw/zinc/93/28/11/553932811.db2.gz JJCOSQOVHDLFRP-QFEZKATASA-N 0 0 557.409 4.827 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033374749 553957928 /nfs/dbraw/zinc/95/79/28/553957928.db2.gz RBSXXIOXUALOQF-KRWDZBQOSA-N 0 0 514.051 4.585 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033374750 553957879 /nfs/dbraw/zinc/95/78/79/553957879.db2.gz RBSXXIOXUALOQF-QGZVFWFLSA-N 0 0 514.051 4.585 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033389883 553958133 /nfs/dbraw/zinc/95/81/33/553958133.db2.gz DMYFWOKBMQUQTN-SFHVURJKSA-N 0 0 501.612 4.848 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033389884 553958153 /nfs/dbraw/zinc/95/81/53/553958153.db2.gz DMYFWOKBMQUQTN-GOSISDBHSA-N 0 0 501.612 4.848 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033390488 553958186 /nfs/dbraw/zinc/95/81/86/553958186.db2.gz XBEXABJIOMIBTK-INIZCTEOSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033390489 553958406 /nfs/dbraw/zinc/95/84/06/553958406.db2.gz XBEXABJIOMIBTK-MRXNPFEDSA-N 0 0 500.024 4.656 40 30 KJEBRN O=[N+]([O-])c1ccc(COc2ccc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2)cc1 ZINC000033395377 553958414 /nfs/dbraw/zinc/95/84/14/553958414.db2.gz YPHQFEJTZYRKIU-USHMODERSA-N 0 0 516.606 4.785 40 30 KJEBRN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1 ZINC000033395706 553958460 /nfs/dbraw/zinc/95/84/60/553958460.db2.gz YQCIMBXPHHUPNC-COEJQBHMSA-N 0 0 525.613 4.876 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000033415602 553959188 /nfs/dbraw/zinc/95/91/88/553959188.db2.gz TWNKXYDWXVPCIX-DEOSSOPVSA-N 0 0 509.580 4.604 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000033415603 553959226 /nfs/dbraw/zinc/95/92/26/553959226.db2.gz TWNKXYDWXVPCIX-XMMPIXPASA-N 0 0 509.580 4.604 40 30 KJEBRN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000033483025 553961280 /nfs/dbraw/zinc/96/12/80/553961280.db2.gz MBWWBPGMDDUWGL-UHFFFAOYSA-N 0 0 508.406 4.613 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033497564 553961261 /nfs/dbraw/zinc/96/12/61/553961261.db2.gz RCXIKXWXILOOEP-IBGZPJMESA-N 0 0 507.660 4.747 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033497565 553961186 /nfs/dbraw/zinc/96/11/86/553961186.db2.gz RCXIKXWXILOOEP-LJQANCHMSA-N 0 0 507.660 4.747 40 30 KJEBRN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000033534690 553962084 /nfs/dbraw/zinc/96/20/84/553962084.db2.gz YJAUQRSNTFPWJZ-CQSZACIVSA-N 0 0 503.397 4.832 40 30 KJEBRN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000033534691 553962103 /nfs/dbraw/zinc/96/21/03/553962103.db2.gz YJAUQRSNTFPWJZ-AWEZNQCLSA-N 0 0 503.397 4.832 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033586563 553963502 /nfs/dbraw/zinc/96/35/02/553963502.db2.gz ZWNASQAQRFKTHC-HNNXBMFYSA-N 0 0 519.549 4.713 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033586564 553963398 /nfs/dbraw/zinc/96/33/98/553963398.db2.gz ZWNASQAQRFKTHC-OAHLLOKOSA-N 0 0 519.549 4.713 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000033586814 553963560 /nfs/dbraw/zinc/96/35/60/553963560.db2.gz VAEQFSUPUZPADS-SANMLTNESA-N 0 0 521.541 4.681 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000033586815 553963414 /nfs/dbraw/zinc/96/34/14/553963414.db2.gz VAEQFSUPUZPADS-AREMUKBSSA-N 0 0 521.541 4.681 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033599790 553963834 /nfs/dbraw/zinc/96/38/34/553963834.db2.gz LWZAGMJLDGYSSY-DEOSSOPVSA-N 0 0 523.659 4.729 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033599791 553964099 /nfs/dbraw/zinc/96/40/99/553964099.db2.gz LWZAGMJLDGYSSY-XMMPIXPASA-N 0 0 523.659 4.729 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033619126 553964751 /nfs/dbraw/zinc/96/47/51/553964751.db2.gz VMVJZTAJAJGILH-DEOSSOPVSA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033619129 553964633 /nfs/dbraw/zinc/96/46/33/553964633.db2.gz VMVJZTAJAJGILH-XMMPIXPASA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033626007 553964975 /nfs/dbraw/zinc/96/49/75/553964975.db2.gz PFFZWPSKVAJPOE-INIZCTEOSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033626009 553964883 /nfs/dbraw/zinc/96/48/83/553964883.db2.gz PFFZWPSKVAJPOE-MRXNPFEDSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000033643848 553965741 /nfs/dbraw/zinc/96/57/41/553965741.db2.gz LNKQLULYFBISIM-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033653448 553966261 /nfs/dbraw/zinc/96/62/61/553966261.db2.gz ZNHFBPUCLLDBCA-XMMPIXPASA-N 0 0 507.660 4.893 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033653449 553966320 /nfs/dbraw/zinc/96/63/20/553966320.db2.gz ZNHFBPUCLLDBCA-DEOSSOPVSA-N 0 0 507.660 4.893 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000033658082 553966529 /nfs/dbraw/zinc/96/65/29/553966529.db2.gz XLYQEBQLHXGBMF-AWEZNQCLSA-N 0 0 507.513 4.844 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000033658083 553966484 /nfs/dbraw/zinc/96/64/84/553966484.db2.gz XLYQEBQLHXGBMF-CQSZACIVSA-N 0 0 507.513 4.844 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000033658335 553966469 /nfs/dbraw/zinc/96/64/69/553966469.db2.gz FYCHSZKPHHWEDA-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000033698725 553968844 /nfs/dbraw/zinc/96/88/44/553968844.db2.gz NXADPDOIJIXCOX-FXSWLTOZSA-N 0 0 508.961 4.718 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(Br)cc2)cc1OC ZINC000033715545 553969791 /nfs/dbraw/zinc/96/97/91/553969791.db2.gz XBPAONRUQAUNGJ-JOCHJYFZSA-N 0 0 512.356 4.880 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000033715546 553969722 /nfs/dbraw/zinc/96/97/22/553969722.db2.gz XBPAONRUQAUNGJ-QFIPXVFZSA-N 0 0 512.356 4.880 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033720137 553970400 /nfs/dbraw/zinc/97/04/00/553970400.db2.gz SQIOSXLEDDTQPL-XMMPIXPASA-N 0 0 507.660 4.893 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033720138 553970387 /nfs/dbraw/zinc/97/03/87/553970387.db2.gz SQIOSXLEDDTQPL-DEOSSOPVSA-N 0 0 507.660 4.893 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033724844 553970436 /nfs/dbraw/zinc/97/04/36/553970436.db2.gz KDVBNVSHZGBCCG-QGZVFWFLSA-N 0 0 514.051 4.585 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033724845 553970420 /nfs/dbraw/zinc/97/04/20/553970420.db2.gz KDVBNVSHZGBCCG-KRWDZBQOSA-N 0 0 514.051 4.585 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033729157 553970836 /nfs/dbraw/zinc/97/08/36/553970836.db2.gz PBMIEQAYSGNYHN-IBGZPJMESA-N 0 0 515.639 4.777 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033729158 553970812 /nfs/dbraw/zinc/97/08/12/553970812.db2.gz PBMIEQAYSGNYHN-LJQANCHMSA-N 0 0 515.639 4.777 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033732713 553971042 /nfs/dbraw/zinc/97/10/42/553971042.db2.gz HPDSCQMNVJNPLP-SFHVURJKSA-N 0 0 501.612 4.848 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033732714 553971011 /nfs/dbraw/zinc/97/10/11/553971011.db2.gz HPDSCQMNVJNPLP-GOSISDBHSA-N 0 0 501.612 4.848 40 30 KJEBRN CCCCOc1ccc(/C=C2\S/C(=N/S(=O)(=O)c3ccccc3)N(CCCOC)C2=O)cc1OC ZINC000033735884 553971080 /nfs/dbraw/zinc/97/10/80/553971080.db2.gz FWFTZUVRNFPNBP-LEGXJBLQSA-N 0 0 518.657 4.572 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033737222 553970984 /nfs/dbraw/zinc/97/09/84/553970984.db2.gz SCCNBOOEYFVWKW-XMMPIXPASA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033737223 553971299 /nfs/dbraw/zinc/97/12/99/553971299.db2.gz SCCNBOOEYFVWKW-DEOSSOPVSA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000033739440 553971367 /nfs/dbraw/zinc/97/13/67/553971367.db2.gz GOSYTRMRDHRDRN-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O ZINC000033747136 553971923 /nfs/dbraw/zinc/97/19/23/553971923.db2.gz AKIBHOILNPIBGO-XMMPIXPASA-N 0 0 509.580 4.691 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O ZINC000033747137 553971909 /nfs/dbraw/zinc/97/19/09/553971909.db2.gz AKIBHOILNPIBGO-DEOSSOPVSA-N 0 0 509.580 4.691 40 30 KJEBRN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000033764283 553972622 /nfs/dbraw/zinc/97/26/22/553972622.db2.gz FDJHGUTVVJSEJN-UHFFFAOYSA-N 0 0 508.406 4.613 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1OC ZINC000033784006 553973483 /nfs/dbraw/zinc/97/34/83/553973483.db2.gz XQFXPUXDFPXSAK-CGQTXMLISA-N 0 0 533.621 4.796 40 30 KJEBRN COCCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000033786305 553973502 /nfs/dbraw/zinc/97/35/02/553973502.db2.gz YZRAXSOCZZQLQS-RLPXCPFWSA-N 0 0 503.571 4.765 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033793252 553974067 /nfs/dbraw/zinc/97/40/67/553974067.db2.gz WYUWQZKITLWABV-XMMPIXPASA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033793253 553974132 /nfs/dbraw/zinc/97/41/32/553974132.db2.gz WYUWQZKITLWABV-DEOSSOPVSA-N 0 0 507.660 4.947 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000033834446 553974703 /nfs/dbraw/zinc/97/47/03/553974703.db2.gz HCPLBKQSEOCQFM-ORPRQENYSA-N 0 0 511.562 4.615 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000033834447 553974662 /nfs/dbraw/zinc/97/46/62/553974662.db2.gz HCPLBKQSEOCQFM-MJWYBRSISA-N 0 0 511.562 4.615 40 30 KJEBRN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000033857438 553975245 /nfs/dbraw/zinc/97/52/45/553975245.db2.gz FNYUIIFEFKUZRR-UHFFFAOYSA-N 0 0 508.406 4.613 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000033863210 553975388 /nfs/dbraw/zinc/97/53/88/553975388.db2.gz YVYMWGVFJNMZPZ-CCMJGWDWSA-N 0 0 512.455 4.903 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000033863211 553975409 /nfs/dbraw/zinc/97/54/09/553975409.db2.gz YVYMWGVFJNMZPZ-OACQNMCBSA-N 0 0 512.455 4.903 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000034716304 553995294 /nfs/dbraw/zinc/99/52/94/553995294.db2.gz RPQZWCKIKMWYGM-QFIPXVFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000034716306 553995396 /nfs/dbraw/zinc/99/53/96/553995396.db2.gz RPQZWCKIKMWYGM-JOCHJYFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000034719634 553996158 /nfs/dbraw/zinc/99/61/58/553996158.db2.gz LIHQOAJVJLPZGU-MRXNPFEDSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000034719635 553996193 /nfs/dbraw/zinc/99/61/93/553996193.db2.gz LIHQOAJVJLPZGU-INIZCTEOSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000034746587 553998754 /nfs/dbraw/zinc/99/87/54/553998754.db2.gz JTBGKYJPELTCHB-QGZVFWFLSA-N 0 0 514.051 4.585 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000034746589 553998855 /nfs/dbraw/zinc/99/88/55/553998855.db2.gz JTBGKYJPELTCHB-KRWDZBQOSA-N 0 0 514.051 4.585 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000034771767 554003722 /nfs/dbraw/zinc/00/37/22/554003722.db2.gz KOLPJJZAGXKRAN-IBGZPJMESA-N 0 0 515.639 4.777 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000034771768 554003742 /nfs/dbraw/zinc/00/37/42/554003742.db2.gz KOLPJJZAGXKRAN-LJQANCHMSA-N 0 0 515.639 4.777 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1OC ZINC000034780627 554003708 /nfs/dbraw/zinc/00/37/08/554003708.db2.gz AWOXVRKHYNOFJG-XMMPIXPASA-N 0 0 506.486 4.572 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1OC ZINC000034780628 554003703 /nfs/dbraw/zinc/00/37/03/554003703.db2.gz AWOXVRKHYNOFJG-DEOSSOPVSA-N 0 0 506.486 4.572 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000034859610 554021781 /nfs/dbraw/zinc/02/17/81/554021781.db2.gz IHNLWQHAPDVLCN-RNHFSVANSA-N 0 0 507.608 4.619 40 30 KJEBRN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)cc1 ZINC000034865365 554022008 /nfs/dbraw/zinc/02/20/08/554022008.db2.gz PSJSABMZJRPSJN-AMKMWETESA-N 0 0 511.365 4.531 40 30 KJEBRN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)cc1 ZINC000034865367 554022045 /nfs/dbraw/zinc/02/20/45/554022045.db2.gz PSJSABMZJRPSJN-PPRLKQFHSA-N 0 0 511.365 4.531 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O ZINC000034871728 554022632 /nfs/dbraw/zinc/02/26/32/554022632.db2.gz BNNICLCJBKCKKW-AREMUKBSSA-N 0 0 521.541 4.768 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O ZINC000034871729 554022652 /nfs/dbraw/zinc/02/26/52/554022652.db2.gz BNNICLCJBKCKKW-SANMLTNESA-N 0 0 521.541 4.768 40 30 KJEBRN COc1cccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000034888308 554023199 /nfs/dbraw/zinc/02/31/99/554023199.db2.gz DRTWVYAWCLDIPI-UZEJHQAJSA-N 0 0 509.624 4.849 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000034888310 554023067 /nfs/dbraw/zinc/02/30/67/554023067.db2.gz HPCXPFNJSIBWTH-MVYHEMRASA-N 0 0 509.624 4.849 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000034895688 554023610 /nfs/dbraw/zinc/02/36/10/554023610.db2.gz WYAFAQAKJSSKFD-MRXNPFEDSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000034895689 554023646 /nfs/dbraw/zinc/02/36/46/554023646.db2.gz WYAFAQAKJSSKFD-INIZCTEOSA-N 0 0 500.024 4.656 40 30 KJEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000035103934 554034604 /nfs/dbraw/zinc/03/46/04/554034604.db2.gz IPQIPJCSXCPQII-RAWMCFOBSA-N 0 0 510.450 4.539 40 30 KJEBRN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000035105034 554034678 /nfs/dbraw/zinc/03/46/78/554034678.db2.gz IFYMSOFYZBEJKW-HNNXBMFYSA-N 0 0 515.433 4.701 40 30 KJEBRN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000035105035 554034618 /nfs/dbraw/zinc/03/46/18/554034618.db2.gz IFYMSOFYZBEJKW-OAHLLOKOSA-N 0 0 515.433 4.701 40 30 KJEBRN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000035105158 554034630 /nfs/dbraw/zinc/03/46/30/554034630.db2.gz XYGRYLBGJVEIFA-UHFFFAOYSA-N 0 0 508.406 4.613 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000035147140 554035462 /nfs/dbraw/zinc/03/54/62/554035462.db2.gz LCYWLYRHRGWXLK-RUZDIDTESA-N 0 0 502.523 4.741 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000035147141 554035568 /nfs/dbraw/zinc/03/55/68/554035568.db2.gz LCYWLYRHRGWXLK-VWLOTQADSA-N 0 0 502.523 4.741 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000035147143 554035592 /nfs/dbraw/zinc/03/55/92/554035592.db2.gz QJILXIPSJBEIRD-RUZDIDTESA-N 0 0 502.523 4.741 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000035147144 554035542 /nfs/dbraw/zinc/03/55/42/554035542.db2.gz QJILXIPSJBEIRD-VWLOTQADSA-N 0 0 502.523 4.741 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000035147169 554035599 /nfs/dbraw/zinc/03/55/99/554035599.db2.gz ZWOAQPXFCJUILL-AREMUKBSSA-N 0 0 515.562 4.620 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000035147171 554035582 /nfs/dbraw/zinc/03/55/82/554035582.db2.gz ZWOAQPXFCJUILL-SANMLTNESA-N 0 0 515.562 4.620 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000035147173 554035472 /nfs/dbraw/zinc/03/54/72/554035472.db2.gz FXMBYXKBVYYYDV-HHHXNRCGSA-N 0 0 517.578 4.850 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000035147175 554035497 /nfs/dbraw/zinc/03/54/97/554035497.db2.gz FXMBYXKBVYYYDV-MHZLTWQESA-N 0 0 517.578 4.850 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000035147177 554035608 /nfs/dbraw/zinc/03/56/08/554035608.db2.gz YFGUWLOZBMBWHN-HHHXNRCGSA-N 0 0 517.578 4.850 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000035147179 554035881 /nfs/dbraw/zinc/03/58/81/554035881.db2.gz YFGUWLOZBMBWHN-MHZLTWQESA-N 0 0 517.578 4.850 40 30 KJEBRN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000035147181 554035896 /nfs/dbraw/zinc/03/58/96/554035896.db2.gz NLDRMSSNXJQVSI-HHHXNRCGSA-N 0 0 517.578 4.850 40 30 KJEBRN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000035147183 554035766 /nfs/dbraw/zinc/03/57/66/554035766.db2.gz NLDRMSSNXJQVSI-MHZLTWQESA-N 0 0 517.578 4.850 40 30 KJEBRN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O ZINC000035147185 554035830 /nfs/dbraw/zinc/03/58/30/554035830.db2.gz NCYIDQZGSYNOEO-AREMUKBSSA-N 0 0 503.551 4.547 40 30 KJEBRN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O ZINC000035147186 554035782 /nfs/dbraw/zinc/03/57/82/554035782.db2.gz NCYIDQZGSYNOEO-SANMLTNESA-N 0 0 503.551 4.547 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O ZINC000035147188 554035763 /nfs/dbraw/zinc/03/57/63/554035763.db2.gz XJEMMMOPDXKGHK-HHHXNRCGSA-N 0 0 517.578 4.938 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O ZINC000035147190 554035777 /nfs/dbraw/zinc/03/57/77/554035777.db2.gz XJEMMMOPDXKGHK-MHZLTWQESA-N 0 0 517.578 4.938 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC ZINC000035147192 554035845 /nfs/dbraw/zinc/03/58/45/554035845.db2.gz SDCPSNIFGZCXQC-HHHXNRCGSA-N 0 0 500.595 4.899 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC ZINC000035147194 554035817 /nfs/dbraw/zinc/03/58/17/554035817.db2.gz SDCPSNIFGZCXQC-MHZLTWQESA-N 0 0 500.595 4.899 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1OC ZINC000035147195 554035743 /nfs/dbraw/zinc/03/57/43/554035743.db2.gz FNBNDJQOHCKYIX-RUZDIDTESA-N 0 0 502.523 4.741 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1OC ZINC000035147197 554035861 /nfs/dbraw/zinc/03/58/61/554035861.db2.gz FNBNDJQOHCKYIX-VWLOTQADSA-N 0 0 502.523 4.741 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000035147235 554035752 /nfs/dbraw/zinc/03/57/52/554035752.db2.gz AOGOFQCIFTWSTO-OAJCAZATSA-N 0 0 514.534 4.833 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000035147237 554035842 /nfs/dbraw/zinc/03/58/42/554035842.db2.gz AOGOFQCIFTWSTO-FZTGKGDASA-N 0 0 514.534 4.833 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000035147239 554035828 /nfs/dbraw/zinc/03/58/28/554035828.db2.gz LSJWLOVMRINPHB-RVSJASMMSA-N 0 0 514.534 4.833 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000035147241 554035857 /nfs/dbraw/zinc/03/58/57/554035857.db2.gz LSJWLOVMRINPHB-OTQLOIIPSA-N 0 0 514.534 4.833 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000035147271 554035794 /nfs/dbraw/zinc/03/57/94/554035794.db2.gz GCPXTLIBVNDMFG-OZQZAAJESA-N 0 0 527.573 4.711 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000035147273 554035758 /nfs/dbraw/zinc/03/57/58/554035758.db2.gz GCPXTLIBVNDMFG-IKJSTBCHSA-N 0 0 527.573 4.711 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000035147274 554035800 /nfs/dbraw/zinc/03/58/00/554035800.db2.gz ZWXKYVMHHCTCTR-RBUXCVQISA-N 0 0 529.589 4.942 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000035147276 554035786 /nfs/dbraw/zinc/03/57/86/554035786.db2.gz ZWXKYVMHHCTCTR-MYLCPLCOSA-N 0 0 529.589 4.942 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000035147278 554035869 /nfs/dbraw/zinc/03/58/69/554035869.db2.gz BDPSXGYLYSSCBB-NMEOXOFNSA-N 0 0 529.589 4.942 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000035147280 554035984 /nfs/dbraw/zinc/03/59/84/554035984.db2.gz BDPSXGYLYSSCBB-LVPXNJDFSA-N 0 0 529.589 4.942 40 30 KJEBRN COc1ccc(OC)c([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000035147281 554036078 /nfs/dbraw/zinc/03/60/78/554036078.db2.gz RRENTURPQIEKCO-RBUXCVQISA-N 0 0 529.589 4.942 40 30 KJEBRN COc1ccc(OC)c([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000035147283 554036050 /nfs/dbraw/zinc/03/60/50/554036050.db2.gz RRENTURPQIEKCO-MYLCPLCOSA-N 0 0 529.589 4.942 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000035147285 554036028 /nfs/dbraw/zinc/03/60/28/554036028.db2.gz MKXXPWFRNJXWDW-DZIAZQJWSA-N 0 0 515.562 4.639 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000035147288 554035973 /nfs/dbraw/zinc/03/59/73/554035973.db2.gz MKXXPWFRNJXWDW-FJVHPZGUSA-N 0 0 515.562 4.639 40 30 KJEBRN COc1ccc(CCN2C(=O)C(=O)C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC ZINC000035147298 554035987 /nfs/dbraw/zinc/03/59/87/554035987.db2.gz OWRWLQIUDMFNEG-YJZYYXGHSA-N 0 0 512.606 4.990 40 30 KJEBRN COc1ccc(CCN2C(=O)C(=O)C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC ZINC000035147299 554036062 /nfs/dbraw/zinc/03/60/62/554036062.db2.gz OWRWLQIUDMFNEG-QFTDAYPPSA-N 0 0 512.606 4.990 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1OC ZINC000035147301 554036149 /nfs/dbraw/zinc/03/61/49/554036149.db2.gz LOVZWPRTXBLJHH-HSBSSIIGSA-N 0 0 514.534 4.833 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1OC ZINC000035147303 554036103 /nfs/dbraw/zinc/03/61/03/554036103.db2.gz LOVZWPRTXBLJHH-ZCUZSRHZSA-N 0 0 514.534 4.833 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000035163890 554036376 /nfs/dbraw/zinc/03/63/76/554036376.db2.gz XQJCRZIVFYXZJC-XMMPIXPASA-N 0 0 509.580 4.604 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000035163892 554036497 /nfs/dbraw/zinc/03/64/97/554036497.db2.gz XQJCRZIVFYXZJC-DEOSSOPVSA-N 0 0 509.580 4.604 40 30 KJEBRN COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000035163894 554036500 /nfs/dbraw/zinc/03/65/00/554036500.db2.gz JPQAWMFWVLWFIK-XMMPIXPASA-N 0 0 509.580 4.604 40 30 KJEBRN COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000035163896 554036406 /nfs/dbraw/zinc/03/64/06/554036406.db2.gz JPQAWMFWVLWFIK-DEOSSOPVSA-N 0 0 509.580 4.604 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000035163912 554036383 /nfs/dbraw/zinc/03/63/83/554036383.db2.gz WVNYMFCPMHLNEG-XMMPIXPASA-N 0 0 506.486 4.572 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000035163914 554036447 /nfs/dbraw/zinc/03/64/47/554036447.db2.gz WVNYMFCPMHLNEG-DEOSSOPVSA-N 0 0 506.486 4.572 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000035163929 554036768 /nfs/dbraw/zinc/03/67/68/554036768.db2.gz MFKKFLBCGMRXKT-AREMUKBSSA-N 0 0 521.541 4.681 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000035163931 554036641 /nfs/dbraw/zinc/03/66/41/554036641.db2.gz MFKKFLBCGMRXKT-SANMLTNESA-N 0 0 521.541 4.681 40 30 KJEBRN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000035163933 554036636 /nfs/dbraw/zinc/03/66/36/554036636.db2.gz ATTMAPYRYLBLFE-AREMUKBSSA-N 0 0 521.541 4.681 40 30 KJEBRN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000035163935 554036744 /nfs/dbraw/zinc/03/67/44/554036744.db2.gz ATTMAPYRYLBLFE-SANMLTNESA-N 0 0 521.541 4.681 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC ZINC000035163941 554036632 /nfs/dbraw/zinc/03/66/32/554036632.db2.gz HLLSXIYSKISWBN-AREMUKBSSA-N 0 0 504.558 4.730 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC ZINC000035163943 554036719 /nfs/dbraw/zinc/03/67/19/554036719.db2.gz HLLSXIYSKISWBN-SANMLTNESA-N 0 0 504.558 4.730 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@H]3c3ccco3)c2c1 ZINC000035164013 554037071 /nfs/dbraw/zinc/03/70/71/554037071.db2.gz RHCGGWQQALGKGK-RUZDIDTESA-N 0 0 502.523 4.608 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@@H]3c3ccco3)c2c1 ZINC000035164015 554036961 /nfs/dbraw/zinc/03/69/61/554036961.db2.gz RHCGGWQQALGKGK-VWLOTQADSA-N 0 0 502.523 4.608 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)c2c1 ZINC000035164148 554037216 /nfs/dbraw/zinc/03/72/16/554037216.db2.gz MLJNXASPFDOZQX-RUZDIDTESA-N 0 0 502.523 4.608 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)c2c1 ZINC000035164150 554037269 /nfs/dbraw/zinc/03/72/69/554037269.db2.gz MLJNXASPFDOZQX-VWLOTQADSA-N 0 0 502.523 4.608 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)cc3OC)c2c1 ZINC000035164152 554037307 /nfs/dbraw/zinc/03/73/07/554037307.db2.gz JSHCBMHEJSQIKT-RUZDIDTESA-N 0 0 502.523 4.608 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)cc3OC)c2c1 ZINC000035164154 554037253 /nfs/dbraw/zinc/03/72/53/554037253.db2.gz JSHCBMHEJSQIKT-VWLOTQADSA-N 0 0 502.523 4.608 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)c2c1 ZINC000035164156 554037314 /nfs/dbraw/zinc/03/73/14/554037314.db2.gz AYIZZTWJEYOHPU-RUZDIDTESA-N 0 0 502.523 4.608 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)c2c1 ZINC000035164158 554037159 /nfs/dbraw/zinc/03/71/59/554037159.db2.gz AYIZZTWJEYOHPU-VWLOTQADSA-N 0 0 502.523 4.608 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)ccc1O ZINC000035164169 554037318 /nfs/dbraw/zinc/03/73/18/554037318.db2.gz KSLFYRZSTCMCAX-RUZDIDTESA-N 0 0 502.523 4.695 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)ccc1O ZINC000035164171 554037151 /nfs/dbraw/zinc/03/71/51/554037151.db2.gz KSLFYRZSTCMCAX-VWLOTQADSA-N 0 0 502.523 4.695 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000035164187 554037213 /nfs/dbraw/zinc/03/72/13/554037213.db2.gz AZEZJHGAIGAOLP-HSZRJFAPSA-N 0 0 503.536 4.967 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000035164190 554037142 /nfs/dbraw/zinc/03/71/42/554037142.db2.gz AZEZJHGAIGAOLP-QHCPKHFHSA-N 0 0 503.536 4.967 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000035164192 554037303 /nfs/dbraw/zinc/03/73/03/554037303.db2.gz UZWKNOJYLZOJNX-HSZRJFAPSA-N 0 0 503.536 4.967 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000035164194 554037206 /nfs/dbraw/zinc/03/72/06/554037206.db2.gz UZWKNOJYLZOJNX-QHCPKHFHSA-N 0 0 503.536 4.967 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000035164196 554037285 /nfs/dbraw/zinc/03/72/85/554037285.db2.gz XZXJQCMFJMVIHZ-HSZRJFAPSA-N 0 0 503.536 4.967 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000035164198 554037181 /nfs/dbraw/zinc/03/71/81/554037181.db2.gz XZXJQCMFJMVIHZ-QHCPKHFHSA-N 0 0 503.536 4.967 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164231 554037472 /nfs/dbraw/zinc/03/74/72/554037472.db2.gz DFJFGZVCAXTNSA-XMMPIXPASA-N 0 0 516.575 4.846 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164233 554037556 /nfs/dbraw/zinc/03/75/56/554037556.db2.gz DFJFGZVCAXTNSA-DEOSSOPVSA-N 0 0 516.575 4.846 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000035164235 554037569 /nfs/dbraw/zinc/03/75/69/554037569.db2.gz LHCWZODEQQFZER-XMMPIXPASA-N 0 0 504.564 4.773 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000035164237 554037437 /nfs/dbraw/zinc/03/74/37/554037437.db2.gz LHCWZODEQQFZER-DEOSSOPVSA-N 0 0 504.564 4.773 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000035164279 554037512 /nfs/dbraw/zinc/03/75/12/554037512.db2.gz BAAIEWHLFOVGGS-HHHXNRCGSA-N 0 0 511.534 4.835 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000035164281 554037463 /nfs/dbraw/zinc/03/74/63/554037463.db2.gz BAAIEWHLFOVGGS-MHZLTWQESA-N 0 0 511.534 4.835 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000035164283 554037467 /nfs/dbraw/zinc/03/74/67/554037467.db2.gz GHRHABGRLPBXJM-HHHXNRCGSA-N 0 0 511.534 4.835 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000035164286 554037519 /nfs/dbraw/zinc/03/75/19/554037519.db2.gz GHRHABGRLPBXJM-MHZLTWQESA-N 0 0 511.534 4.835 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000035164288 554037525 /nfs/dbraw/zinc/03/75/25/554037525.db2.gz MIYSMOWHTZAODM-HHHXNRCGSA-N 0 0 511.534 4.835 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000035164290 554037430 /nfs/dbraw/zinc/03/74/30/554037430.db2.gz MIYSMOWHTZAODM-MHZLTWQESA-N 0 0 511.534 4.835 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)c2c1 ZINC000035164320 554037582 /nfs/dbraw/zinc/03/75/82/554037582.db2.gz UIIJGMFAMSZPJQ-GDLZYMKVSA-N 0 0 526.589 4.944 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)c2c1 ZINC000035164322 554037818 /nfs/dbraw/zinc/03/78/18/554037818.db2.gz UIIJGMFAMSZPJQ-LJAQVGFWSA-N 0 0 526.589 4.944 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3ccc(OC)cc3OC)c2c1 ZINC000035164325 554037844 /nfs/dbraw/zinc/03/78/44/554037844.db2.gz MSZZLRWJHQJKLR-GDLZYMKVSA-N 0 0 526.589 4.944 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3ccc(OC)cc3OC)c2c1 ZINC000035164327 554037736 /nfs/dbraw/zinc/03/77/36/554037736.db2.gz MSZZLRWJHQJKLR-LJAQVGFWSA-N 0 0 526.589 4.944 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3cc(OC)ccc3OC)c2c1 ZINC000035164329 554037739 /nfs/dbraw/zinc/03/77/39/554037739.db2.gz UCJIJLAUHGQETE-GDLZYMKVSA-N 0 0 526.589 4.944 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3cc(OC)ccc3OC)c2c1 ZINC000035164331 554037715 /nfs/dbraw/zinc/03/77/15/554037715.db2.gz UCJIJLAUHGQETE-LJAQVGFWSA-N 0 0 526.589 4.944 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)Cc3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164333 554037775 /nfs/dbraw/zinc/03/77/75/554037775.db2.gz QOGAAPLLJXWUKW-MUUNZHRXSA-N 0 0 524.573 4.713 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)Cc3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164335 554037729 /nfs/dbraw/zinc/03/77/29/554037729.db2.gz QOGAAPLLJXWUKW-NDEPHWFRSA-N 0 0 524.573 4.713 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000035164337 554037754 /nfs/dbraw/zinc/03/77/54/554037754.db2.gz UKYJAPHNIVYRAI-MUUNZHRXSA-N 0 0 512.562 4.641 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000035164339 554037828 /nfs/dbraw/zinc/03/78/28/554037828.db2.gz UKYJAPHNIVYRAI-NDEPHWFRSA-N 0 0 512.562 4.641 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164925 554038812 /nfs/dbraw/zinc/03/88/12/554038812.db2.gz XYMWVPLEMLVPNI-AREMUKBSSA-N 0 0 510.546 4.784 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164928 554038831 /nfs/dbraw/zinc/03/88/31/554038831.db2.gz XYMWVPLEMLVPNI-SANMLTNESA-N 0 0 510.546 4.784 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000035165142 554039264 /nfs/dbraw/zinc/03/92/64/554039264.db2.gz MYLCYEDPIVNYMA-AREMUKBSSA-N 0 0 516.525 4.851 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000035165144 554039204 /nfs/dbraw/zinc/03/92/04/554039204.db2.gz MYLCYEDPIVNYMA-SANMLTNESA-N 0 0 516.525 4.851 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3cccs3)c2c1 ZINC000035165260 554039450 /nfs/dbraw/zinc/03/94/50/554039450.db2.gz IDPIATMRZLGYLA-HSZRJFAPSA-N 0 0 503.536 4.967 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3cccs3)c2c1 ZINC000035165262 554039422 /nfs/dbraw/zinc/03/94/22/554039422.db2.gz IDPIATMRZLGYLA-QHCPKHFHSA-N 0 0 503.536 4.967 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3cccc(O)c3)c2c1 ZINC000035165273 554039534 /nfs/dbraw/zinc/03/95/34/554039534.db2.gz WCKQXSVYBVFABA-RUZDIDTESA-N 0 0 513.506 4.611 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3cccc(O)c3)c2c1 ZINC000035165275 554039869 /nfs/dbraw/zinc/03/98/69/554039869.db2.gz WCKQXSVYBVFABA-VWLOTQADSA-N 0 0 513.506 4.611 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(O)cc3)c2c1 ZINC000035165277 554039896 /nfs/dbraw/zinc/03/98/96/554039896.db2.gz KTZFGUHYZGEBMG-RUZDIDTESA-N 0 0 513.506 4.611 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(O)cc3)c2c1 ZINC000035165279 554039880 /nfs/dbraw/zinc/03/98/80/554039880.db2.gz KTZFGUHYZGEBMG-VWLOTQADSA-N 0 0 513.506 4.611 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3cccs3)c2c1 ZINC000035165378 554040208 /nfs/dbraw/zinc/04/02/08/554040208.db2.gz DOHYMWBFFYRWHQ-HSZRJFAPSA-N 0 0 503.536 4.967 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3cccs3)c2c1 ZINC000035165380 554040158 /nfs/dbraw/zinc/04/01/58/554040158.db2.gz DOHYMWBFFYRWHQ-QHCPKHFHSA-N 0 0 503.536 4.967 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3cccc(O)c3)c2c1 ZINC000035165392 554040066 /nfs/dbraw/zinc/04/00/66/554040066.db2.gz YKFYBKXYHSUQFH-RUZDIDTESA-N 0 0 513.506 4.611 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3cccc(O)c3)c2c1 ZINC000035165394 554040058 /nfs/dbraw/zinc/04/00/58/554040058.db2.gz YKFYBKXYHSUQFH-VWLOTQADSA-N 0 0 513.506 4.611 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3ccc(O)cc3)c2c1 ZINC000035165396 554040234 /nfs/dbraw/zinc/04/02/34/554040234.db2.gz ASHGAZZWBOXEPM-RUZDIDTESA-N 0 0 513.506 4.611 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3ccc(O)cc3)c2c1 ZINC000035165398 554040080 /nfs/dbraw/zinc/04/00/80/554040080.db2.gz ASHGAZZWBOXEPM-VWLOTQADSA-N 0 0 513.506 4.611 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000035199482 554041704 /nfs/dbraw/zinc/04/17/04/554041704.db2.gz XBMOJEWUNICFNB-LJQANCHMSA-N 0 0 507.660 4.747 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000035199487 554041676 /nfs/dbraw/zinc/04/16/76/554041676.db2.gz XBMOJEWUNICFNB-IBGZPJMESA-N 0 0 507.660 4.747 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000035251648 554042207 /nfs/dbraw/zinc/04/22/07/554042207.db2.gz QLMDFQOXVSPTTK-XMMPIXPASA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000035251651 554042167 /nfs/dbraw/zinc/04/21/67/554042167.db2.gz QLMDFQOXVSPTTK-DEOSSOPVSA-N 0 0 507.660 4.947 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000035329201 554043647 /nfs/dbraw/zinc/04/36/47/554043647.db2.gz MDVYDMKNFOHHPQ-JLBUNGTFSA-N 0 0 512.455 4.903 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000035329205 554043696 /nfs/dbraw/zinc/04/36/96/554043696.db2.gz MDVYDMKNFOHHPQ-LWLIDHTLSA-N 0 0 512.455 4.903 40 30 KJEBRN CC(=O)NC[C@H](C)C[C@@H]1C(=O)C(C)=C2[C@@]3(C)CC[C@H]4[C@@H](CC=C5C[C@@H](OC(C)=O)CC[C@@]54C)[C@@H]3C[C@@]21O ZINC000035361112 554044203 /nfs/dbraw/zinc/04/42/03/554044203.db2.gz NDJRZSBYTALTDY-RCJAFCKDSA-N 0 0 511.703 4.900 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000035362062 554044638 /nfs/dbraw/zinc/04/46/38/554044638.db2.gz JVILWLCBMWENEF-QFIPXVFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000035362063 554044593 /nfs/dbraw/zinc/04/45/93/554044593.db2.gz JVILWLCBMWENEF-JOCHJYFZSA-N 0 0 514.051 4.984 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000035877317 554088257 /nfs/dbraw/zinc/08/82/57/554088257.db2.gz LRNVPKNWZXOBIX-CCMJGWDWSA-N 0 0 512.455 4.903 40 30 KJEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000035877318 554088198 /nfs/dbraw/zinc/08/81/98/554088198.db2.gz LRNVPKNWZXOBIX-OACQNMCBSA-N 0 0 512.455 4.903 40 30 KJEBRN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000035961648 554109863 /nfs/dbraw/zinc/10/98/63/554109863.db2.gz HZOWGJHYGXERNV-WXJXEWBDSA-N 0 0 518.566 4.687 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1 ZINC000035961661 554109874 /nfs/dbraw/zinc/10/98/74/554109874.db2.gz CACBVCVOVFJSRH-WENCSYSZSA-N 0 0 531.605 4.566 40 30 KJEBRN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000035961677 554110147 /nfs/dbraw/zinc/11/01/47/554110147.db2.gz OQPMVZJCDLBIFH-WXJXEWBDSA-N 0 0 518.566 4.687 40 30 KJEBRN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000036011647 554132797 /nfs/dbraw/zinc/13/27/97/554132797.db2.gz SXMDNLGPIURYOA-CRPGXEFLSA-N 0 0 513.801 4.618 40 30 KJEBRN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000036011650 554132774 /nfs/dbraw/zinc/13/27/74/554132774.db2.gz SXMDNLGPIURYOA-AJAPIDPKSA-N 0 0 513.801 4.618 40 30 KJEBRN COc1ccc(OC)c([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 ZINC000036011702 554132964 /nfs/dbraw/zinc/13/29/64/554132964.db2.gz BDKZTGMDFCJXSS-IMXIINTDSA-N 0 0 521.585 4.927 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000036037281 554146251 /nfs/dbraw/zinc/14/62/51/554146251.db2.gz MOQVADOVDSQPPX-HVCNVCAESA-N 0 0 526.564 4.573 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000036037286 554146306 /nfs/dbraw/zinc/14/63/06/554146306.db2.gz MOQVADOVDSQPPX-VJTSUQJLSA-N 0 0 526.564 4.573 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000036037294 554146296 /nfs/dbraw/zinc/14/62/96/554146296.db2.gz WKRWKHPPMGDBCF-TUSQITKMSA-N 0 0 526.564 4.573 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000036037299 554146261 /nfs/dbraw/zinc/14/62/61/554146261.db2.gz WKRWKHPPMGDBCF-ZODMCCGTSA-N 0 0 526.564 4.573 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000036037551 554146500 /nfs/dbraw/zinc/14/65/00/554146500.db2.gz POHCCALWEPZEKA-ZNOIYHFQSA-N 0 0 506.407 4.989 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000036037554 554146519 /nfs/dbraw/zinc/14/65/19/554146519.db2.gz POHCCALWEPZEKA-BKTGTZMESA-N 0 0 506.407 4.989 40 30 KJEBRN CCOc1ccc(NC(=O)COc2ccc(/C=C3\C(C)=NN(c4ccc(C#N)cc4)C3=O)cc2OC)cc1 ZINC000036612749 554226124 /nfs/dbraw/zinc/22/61/24/554226124.db2.gz DQNWXSJPJVMFOS-MFKUBSTISA-N 0 0 510.550 4.789 40 30 KJEBRN N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)oc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000036627760 554227858 /nfs/dbraw/zinc/22/78/58/554227858.db2.gz HQJCCLHEMGAOAL-UHFFFAOYSA-N 0 0 526.062 4.758 40 30 KJEBRN CC1CCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(N4CCN(c5cccc(Cl)c5)CC4)o3)cc2)CC1 ZINC000036627808 554227830 /nfs/dbraw/zinc/22/78/30/554227830.db2.gz ZRNLRSHTNIMMMR-UHFFFAOYSA-N 0 0 526.062 4.614 40 30 KJEBRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(N4CCN(c5cccc(Cl)c5)CC4)o3)cc2)C1 ZINC000036627881 554227836 /nfs/dbraw/zinc/22/78/36/554227836.db2.gz AVBDBFSBKBFNIG-LJQANCHMSA-N 0 0 526.062 4.614 40 30 KJEBRN C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(N4CCN(c5cccc(Cl)c5)CC4)o3)cc2)C1 ZINC000036627883 554227826 /nfs/dbraw/zinc/22/78/26/554227826.db2.gz AVBDBFSBKBFNIG-IBGZPJMESA-N 0 0 526.062 4.614 40 30 KJEBRN COc1ccc(CCNc2oc(-c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc2C#N)cc1 ZINC000036628023 554227854 /nfs/dbraw/zinc/22/78/54/554227854.db2.gz GFBWIHKTARKLKN-UHFFFAOYSA-N 0 0 514.607 4.623 40 30 KJEBRN COc1ccc(CNc2oc(-c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc2C#N)cc1 ZINC000036628051 554227892 /nfs/dbraw/zinc/22/78/92/554227892.db2.gz VNHYJXLCJWQCQJ-UHFFFAOYSA-N 0 0 500.580 4.581 40 30 KJEBRN COc1ccc(CCNc2oc(-c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc2C#N)cc1 ZINC000036628092 554228222 /nfs/dbraw/zinc/22/82/22/554228222.db2.gz ZGHHUBRIYHDYQR-UHFFFAOYSA-N 0 0 502.596 4.697 40 30 KJEBRN COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)COc4ccc(Cl)cc4Cl)CC3)o2)cc1 ZINC000036628747 554229546 /nfs/dbraw/zinc/22/95/46/554229546.db2.gz KNGDHPCUGFJFFZ-RUDMXATFSA-N 0 0 513.381 4.760 40 30 KJEBRN CCCCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccc([N+](=O)[O-])cc4)nc3C#N)CC2)cc1 ZINC000036628840 554229556 /nfs/dbraw/zinc/22/95/56/554229556.db2.gz MKWDIAOEYXJOAL-AWNIVKPZSA-N 0 0 501.543 4.766 40 30 KJEBRN COc1ccccc1/C=C/c1nc(C#N)c(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)o1 ZINC000036628946 554229552 /nfs/dbraw/zinc/22/95/52/554229552.db2.gz QVNOPCAZSMWVJS-RMKNXTFCSA-N 0 0 513.381 4.760 40 30 KJEBRN COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)o2)cc1OC ZINC000036628968 554229530 /nfs/dbraw/zinc/22/95/30/554229530.db2.gz DTLGXJMEUZBPQY-NTUHNPAUSA-N 0 0 500.599 4.994 40 30 KJEBRN COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)Cc4cccc5ccccc54)CC3)o2)cc1OC ZINC000036628971 554229488 /nfs/dbraw/zinc/22/94/88/554229488.db2.gz ACKNCJHQUXXENM-ACCUITESSA-N 0 0 508.578 4.778 40 30 KJEBRN CCCCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccc(OC)c(OC)c4)nc3C#N)CC2)cc1 ZINC000036629005 554229567 /nfs/dbraw/zinc/22/95/67/554229567.db2.gz KSNVTQFATRMYFK-NTUHNPAUSA-N 0 0 516.598 4.875 40 30 KJEBRN N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000036629045 554229540 /nfs/dbraw/zinc/22/95/40/554229540.db2.gz ZHHPBVWMRINSIB-FPYGCLRLSA-N 0 0 501.345 4.890 40 30 KJEBRN CCCCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4cccc([N+](=O)[O-])c4)nc3C#N)CC2)cc1 ZINC000036629134 554229527 /nfs/dbraw/zinc/22/95/27/554229527.db2.gz DWWQQDJHUTUEBJ-KPKJPENVSA-N 0 0 501.543 4.766 40 30 KJEBRN COc1ccccc1OCC(=O)N1CCN(c2oc(/C=C/c3ccc(C(C)(C)C)cc3)nc2C#N)CC1 ZINC000036629240 554229516 /nfs/dbraw/zinc/22/95/16/554229516.db2.gz DGJAMQDCGUHTSO-SDNWHVSQSA-N 0 0 500.599 4.750 40 30 KJEBRN COc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccc(C(C)(C)C)cc4)nc3C#N)CC2)cc1 ZINC000036629242 554229476 /nfs/dbraw/zinc/22/94/76/554229476.db2.gz JLZWUGHTIJBQEF-VGOFMYFVSA-N 0 0 500.599 4.750 40 30 KJEBRN COc1cccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)COc4ccc(Cl)cc4Cl)CC3)o2)c1 ZINC000036629318 554229560 /nfs/dbraw/zinc/22/95/60/554229560.db2.gz KRVOCGKICFEFOH-VMPITWQZSA-N 0 0 513.381 4.760 40 30 KJEBRN O=C(C=C1SC(=O)N(CC(=O)Sc2nc3ccccc3s2)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000036633811 554230176 /nfs/dbraw/zinc/23/01/76/554230176.db2.gz KQHSKYZXSJKHDA-DHDCSXOGSA-N 0 0 500.539 4.691 40 30 KJEBRN CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000036638530 554230184 /nfs/dbraw/zinc/23/01/84/554230184.db2.gz ICOVFACSVIKABY-ZYEGCUTMSA-N 0 0 525.740 4.793 40 30 KJEBRN CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000036638532 554230158 /nfs/dbraw/zinc/23/01/58/554230158.db2.gz ICOVFACSVIKABY-JNFCWKCZSA-N 0 0 525.740 4.793 40 30 KJEBRN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000038205372 554274423 /nfs/dbraw/zinc/27/44/23/554274423.db2.gz NIBSGYJSFDSHKX-YNRIFVMWSA-N 0 0 521.610 4.955 40 30 KJEBRN C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C ZINC000038535144 554274913 /nfs/dbraw/zinc/27/49/13/554274913.db2.gz RGEUJFUPRWQDSF-ZDUSSCGKSA-N 0 0 515.064 4.502 40 30 KJEBRN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C ZINC000038535146 554274984 /nfs/dbraw/zinc/27/49/84/554274984.db2.gz RGEUJFUPRWQDSF-CYBMUJFWSA-N 0 0 515.064 4.502 40 30 KJEBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000039556226 554279698 /nfs/dbraw/zinc/27/96/98/554279698.db2.gz MOURNSXQNJCYTO-CVKSISIWSA-N 0 0 503.562 4.710 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000040033080 554282524 /nfs/dbraw/zinc/28/25/24/554282524.db2.gz HVVSJBHNDZHHHY-CVXGXVHTSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000040033081 554282563 /nfs/dbraw/zinc/28/25/63/554282563.db2.gz HVVSJBHNDZHHHY-ZIRCPPMYSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1OC)C1=C(N=2)c2ccccc2CC1 ZINC000040033104 554282460 /nfs/dbraw/zinc/28/24/60/554282460.db2.gz SYTZCWDLCSJWLA-CVXGXVHTSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC)C1=C(N=2)c2ccccc2CC1 ZINC000040033105 554282385 /nfs/dbraw/zinc/28/23/85/554282385.db2.gz SYTZCWDLCSJWLA-ZIRCPPMYSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCc1ccc(OCCOc2c(Br)cc(/C=C3/SC(=N)NC3=O)cc2OC)c(OC)c1 ZINC000041077976 554293765 /nfs/dbraw/zinc/29/37/65/554293765.db2.gz RJTKXZSLPNJLSA-DEDYPNTBSA-N 0 0 519.417 4.791 40 30 KJEBRN C=CCc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c(OC)c1 ZINC000041078501 554294018 /nfs/dbraw/zinc/29/40/18/554294018.db2.gz YLVDREANTLNTJE-WBRYUHFBSA-N 0 0 523.973 4.994 40 30 KJEBRN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OCC)c(OC)c1 ZINC000041082479 554293930 /nfs/dbraw/zinc/29/39/30/554293930.db2.gz FHGSIHZAOPIBLF-OPUMZZFBSA-N 0 0 503.555 4.731 40 30 KJEBRN CNc1nc(N=NCc2cc(I)cc(I)c2OCc2ccccc2)ncc1F ZINC000044459980 554302199 /nfs/dbraw/zinc/30/21/99/554302199.db2.gz XKMBDEFGMZOZEB-MWYAZZEHSA-N 0 0 603.177 4.892 40 30 KJEBRN CC(C)(C#N)c1cc(Cn2cncn2)cc(C[C@@](C)(C#N)c2cc(Cn3cncn3)cc(C(C)(C)C#N)c2)c1 ZINC000044699361 554302697 /nfs/dbraw/zinc/30/26/97/554302697.db2.gz XOBTYKNGXUMRQU-PMERELPUSA-N 0 0 517.641 4.593 40 30 in-vitro KJEBRN CC(C)(C#N)c1cc(Cn2cncn2)cc(C[C@](C)(C#N)c2cc(Cn3cncn3)cc(C(C)(C)C#N)c2)c1 ZINC000044699362 554302846 /nfs/dbraw/zinc/30/28/46/554302846.db2.gz XOBTYKNGXUMRQU-SSEXGKCCSA-N 0 0 517.641 4.593 40 30 in-vitro KJEBRN C=C(C)[C@@]1(O)CC[C@@]2(C)[C@@H](CC=C(C)[C@]23Cc2c(cc(-c4cccnc4)oc2=O)O3)[C@]12CCC(=O)OC2 ZINC000049181318 291855609 /nfs/dbraw/zinc/85/56/09/291855609.db2.gz FIWRZQROYVDBSG-LXJMSAHPSA-N 0 0 503.595 4.772 40 30 biogenic,in-vitro KJEBRN CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C ZINC000053230645 554330138 /nfs/dbraw/zinc/33/01/38/554330138.db2.gz LUKZNWIVRBCLON-BACZTASJSA-N 0 0 540.697 4.704 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c1 ZINC000058856275 554369972 /nfs/dbraw/zinc/36/99/72/554369972.db2.gz XVHDQWCHYACCMF-ACJNQYEBSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c1 ZINC000058856281 554369997 /nfs/dbraw/zinc/36/99/97/554369997.db2.gz XVHDQWCHYACCMF-HSUOJCLFSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000058856739 554370340 /nfs/dbraw/zinc/37/03/40/554370340.db2.gz XSCOXRVPTONEPJ-CVXGXVHTSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000058856744 554370372 /nfs/dbraw/zinc/37/03/72/554370372.db2.gz XSCOXRVPTONEPJ-ZIRCPPMYSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000058856749 554370343 /nfs/dbraw/zinc/37/03/43/554370343.db2.gz WHYWCLZVHJPQBJ-ACJNQYEBSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000058856753 554370286 /nfs/dbraw/zinc/37/02/86/554370286.db2.gz WHYWCLZVHJPQBJ-HSUOJCLFSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000058856757 554370276 /nfs/dbraw/zinc/37/02/76/554370276.db2.gz WWHKXGYESGHPHB-CVXGXVHTSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000058856762 554370311 /nfs/dbraw/zinc/37/03/11/554370311.db2.gz WWHKXGYESGHPHB-ZIRCPPMYSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000058865205 554370504 /nfs/dbraw/zinc/37/05/04/554370504.db2.gz DNFCKVWRBFPQLN-HSUOJCLFSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000058865207 554370571 /nfs/dbraw/zinc/37/05/71/554370571.db2.gz DNFCKVWRBFPQLN-ACJNQYEBSA-N 0 0 506.627 4.892 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)C1=O ZINC000058882525 554371074 /nfs/dbraw/zinc/37/10/74/554371074.db2.gz CBWDBHIEOGEEOC-VPBNWZFVSA-N 0 0 514.553 4.959 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)C1=O ZINC000058882529 554371053 /nfs/dbraw/zinc/37/10/53/554371053.db2.gz CBWDBHIEOGEEOC-FDRCZSESSA-N 0 0 514.553 4.959 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O ZINC000058882539 554371011 /nfs/dbraw/zinc/37/10/11/554371011.db2.gz UDVVLUDVMBVGPW-IWIPYMOSSA-N 0 0 504.489 4.860 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(OCC(=O)NCc3ccco3)cc2)C1=O ZINC000058882565 554371213 /nfs/dbraw/zinc/37/12/13/554371213.db2.gz KYIGOSCLTIDUKH-UCQKPKSFSA-N 0 0 506.942 4.505 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccc(O)c2)cc1OC ZINC000059090190 554372678 /nfs/dbraw/zinc/37/26/78/554372678.db2.gz OMJZVODTLWICTB-XMMPIXPASA-N 0 0 538.394 4.993 40 30 KJEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc(O)c2)cc1OC ZINC000059090192 554372692 /nfs/dbraw/zinc/37/26/92/554372692.db2.gz OMJZVODTLWICTB-DEOSSOPVSA-N 0 0 538.394 4.993 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000059090267 554372656 /nfs/dbraw/zinc/37/26/56/554372656.db2.gz PJONBMPSQAEFRT-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000059090269 554372641 /nfs/dbraw/zinc/37/26/41/554372641.db2.gz PJONBMPSQAEFRT-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000059090270 554372628 /nfs/dbraw/zinc/37/26/28/554372628.db2.gz KNHOICLVIFPTTB-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000059090272 554372654 /nfs/dbraw/zinc/37/26/54/554372654.db2.gz KNHOICLVIFPTTB-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000059090275 554372622 /nfs/dbraw/zinc/37/26/22/554372622.db2.gz UCZMPFUHJNZHLB-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000059090276 554372630 /nfs/dbraw/zinc/37/26/30/554372630.db2.gz UCZMPFUHJNZHLB-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059090306 554372955 /nfs/dbraw/zinc/37/29/55/554372955.db2.gz HKLLWQKCHOPSDI-MHZLTWQESA-N 0 0 540.572 4.793 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059090308 554372823 /nfs/dbraw/zinc/37/28/23/554372823.db2.gz HKLLWQKCHOPSDI-HHHXNRCGSA-N 0 0 540.572 4.793 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000059090309 554372799 /nfs/dbraw/zinc/37/27/99/554372799.db2.gz PMGPVFYRMKDWNU-MHZLTWQESA-N 0 0 528.561 4.720 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000059090310 554372898 /nfs/dbraw/zinc/37/28/98/554372898.db2.gz PMGPVFYRMKDWNU-HHHXNRCGSA-N 0 0 528.561 4.720 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000059090363 554372893 /nfs/dbraw/zinc/37/28/93/554372893.db2.gz YOHNJNQOSNQPLK-HHHXNRCGSA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000059090368 554372847 /nfs/dbraw/zinc/37/28/47/554372847.db2.gz YOHNJNQOSNQPLK-MHZLTWQESA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000059090370 554372963 /nfs/dbraw/zinc/37/29/63/554372963.db2.gz IQJPATJRXJLULT-HHHXNRCGSA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000059090373 554372986 /nfs/dbraw/zinc/37/29/86/554372986.db2.gz IQJPATJRXJLULT-MHZLTWQESA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000059090374 554372832 /nfs/dbraw/zinc/37/28/32/554372832.db2.gz XGMCTBLCSAMCSS-HHHXNRCGSA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000059090376 554373256 /nfs/dbraw/zinc/37/32/56/554373256.db2.gz XGMCTBLCSAMCSS-MHZLTWQESA-N 0 0 557.559 4.923 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059090424 554373251 /nfs/dbraw/zinc/37/32/51/554373251.db2.gz BRZUNHZHUVPUMX-MUUNZHRXSA-N 0 0 570.598 4.801 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059090427 554373299 /nfs/dbraw/zinc/37/32/99/554373299.db2.gz BRZUNHZHUVPUMX-NDEPHWFRSA-N 0 0 570.598 4.801 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000059090429 554373246 /nfs/dbraw/zinc/37/32/46/554373246.db2.gz GZBNQYLTHRCLEQ-MUUNZHRXSA-N 0 0 558.587 4.729 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000059090432 554373178 /nfs/dbraw/zinc/37/31/78/554373178.db2.gz GZBNQYLTHRCLEQ-NDEPHWFRSA-N 0 0 558.587 4.729 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@H]3c3cccc(O)c3)c2c1 ZINC000059090453 554373625 /nfs/dbraw/zinc/37/36/25/554373625.db2.gz FYDZLMMHBZFPQQ-HHHXNRCGSA-N 0 0 528.561 4.720 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@@H]3c3cccc(O)c3)c2c1 ZINC000059090454 554373444 /nfs/dbraw/zinc/37/34/44/554373444.db2.gz FYDZLMMHBZFPQQ-MHZLTWQESA-N 0 0 528.561 4.720 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@H]3c3ccc(O)cc3)c2c1 ZINC000059090455 554373485 /nfs/dbraw/zinc/37/34/85/554373485.db2.gz VCHFAVZYZNVPLN-HHHXNRCGSA-N 0 0 528.561 4.720 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(OC)c(OC)c4)[C@@H]3c3ccc(O)cc3)c2c1 ZINC000059090457 554373548 /nfs/dbraw/zinc/37/35/48/554373548.db2.gz VCHFAVZYZNVPLN-MHZLTWQESA-N 0 0 528.561 4.720 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091295 554375515 /nfs/dbraw/zinc/37/55/15/554375515.db2.gz SMOUKUIHJZEQDU-AREMUKBSSA-N 0 0 528.536 4.923 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091296 554375468 /nfs/dbraw/zinc/37/54/68/554375468.db2.gz SMOUKUIHJZEQDU-SANMLTNESA-N 0 0 528.536 4.923 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091337 554376098 /nfs/dbraw/zinc/37/60/98/554376098.db2.gz NGAPZNYZVGVZOH-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091338 554376217 /nfs/dbraw/zinc/37/62/17/554376217.db2.gz NGAPZNYZVGVZOH-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3cccc(OC)c3)c2c1 ZINC000059091339 554376123 /nfs/dbraw/zinc/37/61/23/554376123.db2.gz GAIKPPQGRAZPOA-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3cccc(OC)c3)c2c1 ZINC000059091340 554376127 /nfs/dbraw/zinc/37/61/27/554376127.db2.gz GAIKPPQGRAZPOA-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3ccccc3OC)c2c1 ZINC000059091341 554376115 /nfs/dbraw/zinc/37/61/15/554376115.db2.gz RAUAWKFXROYEOG-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccccc3OC)c2c1 ZINC000059091342 554376213 /nfs/dbraw/zinc/37/62/13/554376213.db2.gz RAUAWKFXROYEOG-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000059091347 554376080 /nfs/dbraw/zinc/37/60/80/554376080.db2.gz YSHWNMDMRIJXLK-RUZDIDTESA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000059091348 554376085 /nfs/dbraw/zinc/37/60/85/554376085.db2.gz YSHWNMDMRIJXLK-VWLOTQADSA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000059091349 554376129 /nfs/dbraw/zinc/37/61/29/554376129.db2.gz MRPNAFVQAUHDMU-RUZDIDTESA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000059091350 554376208 /nfs/dbraw/zinc/37/62/08/554376208.db2.gz MRPNAFVQAUHDMU-VWLOTQADSA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000059091352 554376193 /nfs/dbraw/zinc/37/61/93/554376193.db2.gz RRQVJCXNJAXDMW-RUZDIDTESA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000059091354 554376173 /nfs/dbraw/zinc/37/61/73/554376173.db2.gz RRQVJCXNJAXDMW-VWLOTQADSA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC)c(OC)c3)c2c1 ZINC000059091366 554376201 /nfs/dbraw/zinc/37/62/01/554376201.db2.gz WFXVGEHVMURYRR-HHHXNRCGSA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC)c(OC)c3)c2c1 ZINC000059091367 554376140 /nfs/dbraw/zinc/37/61/40/554376140.db2.gz WFXVGEHVMURYRR-MHZLTWQESA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC)cc3OC)c2c1 ZINC000059091368 554376095 /nfs/dbraw/zinc/37/60/95/554376095.db2.gz BMNQJIOJSFIETB-HHHXNRCGSA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC)cc3OC)c2c1 ZINC000059091370 554376119 /nfs/dbraw/zinc/37/61/19/554376119.db2.gz BMNQJIOJSFIETB-MHZLTWQESA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3cc(OC)ccc3OC)c2c1 ZINC000059091372 554376137 /nfs/dbraw/zinc/37/61/37/554376137.db2.gz UZEKYZFFNSHQFA-HHHXNRCGSA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3cc(OC)ccc3OC)c2c1 ZINC000059091373 554376523 /nfs/dbraw/zinc/37/65/23/554376523.db2.gz UZEKYZFFNSHQFA-MHZLTWQESA-N 0 0 557.559 4.923 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091374 554376389 /nfs/dbraw/zinc/37/63/89/554376389.db2.gz FTPVCSQTTOTULV-AREMUKBSSA-N 0 0 555.543 4.692 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091376 554376416 /nfs/dbraw/zinc/37/64/16/554376416.db2.gz FTPVCSQTTOTULV-SANMLTNESA-N 0 0 555.543 4.692 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000059091377 554376366 /nfs/dbraw/zinc/37/63/66/554376366.db2.gz WJZZTBCEDCXYNI-AREMUKBSSA-N 0 0 543.532 4.620 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000059091378 554376349 /nfs/dbraw/zinc/37/63/49/554376349.db2.gz WJZZTBCEDCXYNI-SANMLTNESA-N 0 0 543.532 4.620 40 30 KJEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059091392 554376438 /nfs/dbraw/zinc/37/64/38/554376438.db2.gz OLLFTQQOVXUYHI-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059091393 554376395 /nfs/dbraw/zinc/37/63/95/554376395.db2.gz OLLFTQQOVXUYHI-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000059091394 554376342 /nfs/dbraw/zinc/37/63/42/554376342.db2.gz NEBGDAIOONAOFD-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000059091395 554376502 /nfs/dbraw/zinc/37/65/02/554376502.db2.gz NEBGDAIOONAOFD-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000059091396 554376527 /nfs/dbraw/zinc/37/65/27/554376527.db2.gz RMOSRROOMWMAQX-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000059091397 554376327 /nfs/dbraw/zinc/37/63/27/554376327.db2.gz RMOSRROOMWMAQX-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091411 554376378 /nfs/dbraw/zinc/37/63/78/554376378.db2.gz VRLBQFIYDDMPJO-MHZLTWQESA-N 0 0 540.572 4.793 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091412 554376736 /nfs/dbraw/zinc/37/67/36/554376736.db2.gz VRLBQFIYDDMPJO-HHHXNRCGSA-N 0 0 540.572 4.793 40 30 KJEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000059091413 554376709 /nfs/dbraw/zinc/37/67/09/554376709.db2.gz GRIMBIOHGSYROR-MHZLTWQESA-N 0 0 528.561 4.720 40 30 KJEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000059091414 554376619 /nfs/dbraw/zinc/37/66/19/554376619.db2.gz GRIMBIOHGSYROR-HHHXNRCGSA-N 0 0 528.561 4.720 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091421 554376684 /nfs/dbraw/zinc/37/66/84/554376684.db2.gz JAYPYMXFIVYQMJ-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091422 554376760 /nfs/dbraw/zinc/37/67/60/554376760.db2.gz JAYPYMXFIVYQMJ-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3cccc(OC)c3)c2c1 ZINC000059091423 554376669 /nfs/dbraw/zinc/37/66/69/554376669.db2.gz HWBRQHGLEIRWGX-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3cccc(OC)c3)c2c1 ZINC000059091424 554376626 /nfs/dbraw/zinc/37/66/26/554376626.db2.gz HWBRQHGLEIRWGX-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3ccccc3OC)c2c1 ZINC000059091425 554376634 /nfs/dbraw/zinc/37/66/34/554376634.db2.gz NOYZZROFTMCOQN-AREMUKBSSA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3ccccc3OC)c2c1 ZINC000059091427 554376666 /nfs/dbraw/zinc/37/66/66/554376666.db2.gz NOYZZROFTMCOQN-SANMLTNESA-N 0 0 527.533 4.914 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000059091436 554376716 /nfs/dbraw/zinc/37/67/16/554376716.db2.gz XKOGCPFIOVWRLD-RUZDIDTESA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000059091438 554376650 /nfs/dbraw/zinc/37/66/50/554376650.db2.gz XKOGCPFIOVWRLD-VWLOTQADSA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000059091442 554376733 /nfs/dbraw/zinc/37/67/33/554376733.db2.gz IPBSXENLRVAURS-RUZDIDTESA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)c2c1 ZINC000059091444 554376749 /nfs/dbraw/zinc/37/67/49/554376749.db2.gz IPBSXENLRVAURS-VWLOTQADSA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000059091446 554376700 /nfs/dbraw/zinc/37/67/00/554376700.db2.gz HUAOKSXHCQFQAM-RUZDIDTESA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3ccccc3[N+](=O)[O-])c2c1 ZINC000059091447 554376722 /nfs/dbraw/zinc/37/67/22/554376722.db2.gz HUAOKSXHCQFQAM-VWLOTQADSA-N 0 0 542.504 4.814 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3ccc(OC)c(OC)c3)c2c1 ZINC000059091454 554377086 /nfs/dbraw/zinc/37/70/86/554377086.db2.gz KXXRAKGPFGTXFS-HHHXNRCGSA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3ccc(OC)c(OC)c3)c2c1 ZINC000059091455 554377167 /nfs/dbraw/zinc/37/71/67/554377167.db2.gz KXXRAKGPFGTXFS-MHZLTWQESA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3ccc(OC)cc3OC)c2c1 ZINC000059091456 554377151 /nfs/dbraw/zinc/37/71/51/554377151.db2.gz YJQCOGNWXHAGES-HHHXNRCGSA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3ccc(OC)cc3OC)c2c1 ZINC000059091457 554377075 /nfs/dbraw/zinc/37/70/75/554377075.db2.gz YJQCOGNWXHAGES-MHZLTWQESA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3cc(OC)ccc3OC)c2c1 ZINC000059091458 554377052 /nfs/dbraw/zinc/37/70/52/554377052.db2.gz FTGQZXFKHVAHPK-HHHXNRCGSA-N 0 0 557.559 4.923 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3cc(OC)ccc3OC)c2c1 ZINC000059091459 554377047 /nfs/dbraw/zinc/37/70/47/554377047.db2.gz FTGQZXFKHVAHPK-MHZLTWQESA-N 0 0 557.559 4.923 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091460 554377092 /nfs/dbraw/zinc/37/70/92/554377092.db2.gz HDKOTNUJDVUXKV-AREMUKBSSA-N 0 0 555.543 4.692 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000059091461 554377124 /nfs/dbraw/zinc/37/71/24/554377124.db2.gz HDKOTNUJDVUXKV-SANMLTNESA-N 0 0 555.543 4.692 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000059091462 554377155 /nfs/dbraw/zinc/37/71/55/554377155.db2.gz IIPCWURBZPZTAD-AREMUKBSSA-N 0 0 543.532 4.620 40 30 KJEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000059091463 554377194 /nfs/dbraw/zinc/37/71/94/554377194.db2.gz IIPCWURBZPZTAD-SANMLTNESA-N 0 0 543.532 4.620 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000059104750 554379711 /nfs/dbraw/zinc/37/97/11/554379711.db2.gz ZDPZHPSFOWEQBI-QPGSGLTOSA-N 0 0 506.378 4.867 40 30 KJEBRN C/N=C1/S/C(=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)C(=O)N1C ZINC000059104881 554380013 /nfs/dbraw/zinc/38/00/13/554380013.db2.gz IISAATZADGGZHH-PQUPTFKKSA-N 0 0 512.344 4.550 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1OC ZINC000059105736 554380430 /nfs/dbraw/zinc/38/04/30/554380430.db2.gz LMPQJBVDHHMRIY-BOPFTXTBSA-N 0 0 510.328 4.895 40 30 KJEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(Br)c(Br)c1O ZINC000059105819 554380404 /nfs/dbraw/zinc/38/04/04/554380404.db2.gz QYLGBKXEIMVOPB-KPKJPENVSA-N 0 0 502.159 4.957 40 30 KJEBRN C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000059139936 554383389 /nfs/dbraw/zinc/38/33/89/554383389.db2.gz SOBGJCOBDSKVHQ-UHFFFAOYSA-N 0 0 505.423 4.908 40 30 KJEBRN C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000059139938 554383452 /nfs/dbraw/zinc/38/34/52/554383452.db2.gz NWVHMABUNXFJBW-UHFFFAOYSA-N 0 0 505.423 4.908 40 30 KJEBRN CC(C)C(=O)OCC(=O)[C@@]12O[C@@H](C3CCCCC3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C ZINC000059201335 193891320 /nfs/dbraw/zinc/89/13/20/193891320.db2.gz LUKZNWIVRBCLON-HWCHWIRGSA-N 0 0 540.697 4.704 40 30 KJEBRN COc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc(I)c1O ZINC000059224272 193892106 /nfs/dbraw/zinc/89/21/06/193892106.db2.gz SDQOWRGGMLHHJI-CHHVJCJISA-N 0 0 500.745 4.859 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000059246149 554386385 /nfs/dbraw/zinc/38/63/85/554386385.db2.gz ULEGVILQFSFJTE-SOEBIRPASA-N 0 0 522.626 4.500 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000059246150 554386293 /nfs/dbraw/zinc/38/62/93/554386293.db2.gz ULEGVILQFSFJTE-OQTDNQPYSA-N 0 0 522.626 4.500 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000059246154 554386403 /nfs/dbraw/zinc/38/64/03/554386403.db2.gz GPGCCPAHWJGTDL-BCBAPRRZSA-N 0 0 522.626 4.500 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000059246155 554386412 /nfs/dbraw/zinc/38/64/12/554386412.db2.gz GPGCCPAHWJGTDL-XZVHRBETSA-N 0 0 522.626 4.500 40 30 KJEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2C1 ZINC000059331666 554390347 /nfs/dbraw/zinc/39/03/47/554390347.db2.gz QAJOZQPZRYSLBK-MRXNPFEDSA-N 0 0 527.672 4.642 40 30 KJEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2C1 ZINC000059331667 554390331 /nfs/dbraw/zinc/39/03/31/554390331.db2.gz QAJOZQPZRYSLBK-INIZCTEOSA-N 0 0 527.672 4.642 40 30 KJEBRN COc1cc(C=C2SC(=NNc3nc(-c4ccc(Br)cc4)cs3)NC2=O)cc(OC)c1OC ZINC000059365240 554393213 /nfs/dbraw/zinc/39/32/13/554393213.db2.gz KVZNQWABIWTQDF-VCHYOVAHSA-N 0 0 547.456 5.185 40 30 KJEBRN COc1cc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)cc(I)c1OC ZINC000059399122 554393202 /nfs/dbraw/zinc/39/32/02/554393202.db2.gz QBZADRYENLTUPS-ZDLGFXPLSA-N 0 0 508.381 4.685 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000059401680 554393194 /nfs/dbraw/zinc/39/31/94/554393194.db2.gz YWLZGCREADRKFD-AFUMVMLFSA-N 0 0 503.418 4.966 40 30 KJEBRN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCc1ccc(F)cc1 ZINC000059418271 193897480 /nfs/dbraw/zinc/89/74/80/193897480.db2.gz WKFQAYYRTNPOQT-RDRPBHBLSA-N 0 0 505.598 4.635 40 30 KJEBRN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCc1ccccc1F ZINC000059418272 554393802 /nfs/dbraw/zinc/39/38/02/554393802.db2.gz UVAFQQITWINBGG-RDRPBHBLSA-N 0 0 505.598 4.635 40 30 KJEBRN COc1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1OCc1ccc(Cl)cc1 ZINC000059418273 554393792 /nfs/dbraw/zinc/39/37/92/554393792.db2.gz PNZVRXOCSKFJBM-OGLMXYFKSA-N 0 0 508.026 4.759 40 30 KJEBRN CCOC(=O)c1ccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCCCC4)n3)o2)cc1 ZINC000059418310 554394137 /nfs/dbraw/zinc/39/41/37/554394137.db2.gz KJLWTZUKOGICCS-TURZUDJPSA-N 0 0 503.607 4.735 40 30 KJEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCOCC4)n3)o2)c1 ZINC000059418328 554394061 /nfs/dbraw/zinc/39/40/61/554394061.db2.gz PVLIPLFCQKGGJC-CVKSISIWSA-N 0 0 520.937 4.719 40 30 KJEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(I)cc1 ZINC000059426246 554395211 /nfs/dbraw/zinc/39/52/11/554395211.db2.gz DQJJHPHPQNLREQ-SRZZPIQSSA-N 0 0 505.272 4.961 40 30 KJEBRN Cc1c(/N=C2\c3cc(Br)ccc3N(CCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000059461531 193899475 /nfs/dbraw/zinc/89/94/75/193899475.db2.gz KBXKDXBGLDFVMS-XLVZBRSZSA-N 0 0 515.411 4.957 40 30 KJEBRN O=C(CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1)NC[C@@H]1CCCO1 ZINC000059474833 554396809 /nfs/dbraw/zinc/39/68/09/554396809.db2.gz MTQIXNFOYVVZDR-VYPBGABDSA-N 0 0 506.447 4.902 40 30 KJEBRN O=C(CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1)NC[C@H]1CCCO1 ZINC000059474834 554396793 /nfs/dbraw/zinc/39/67/93/554396793.db2.gz MTQIXNFOYVVZDR-GENGVREBSA-N 0 0 506.447 4.902 40 30 KJEBRN CCN(CC)C(=O)CSc1nc2ccc(/N=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000059483335 554397383 /nfs/dbraw/zinc/39/73/83/554397383.db2.gz ZBKSMHXWSSEOGZ-MFKUBSTISA-N 0 0 513.645 4.752 40 30 KJEBRN CCCCNC(=O)CSc1nc2ccc(/N=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000059483337 554397428 /nfs/dbraw/zinc/39/74/28/554397428.db2.gz NPGJVHGGQUFPST-CVKSISIWSA-N 0 0 513.645 4.800 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc(I)c1OCC ZINC000059484486 554397639 /nfs/dbraw/zinc/39/76/39/554397639.db2.gz GPSVZRYAEZEHDS-DHRITJCHSA-N 0 0 514.319 4.872 40 30 KJEBRN CCCOc1c(I)cc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc1OC ZINC000059484489 554397663 /nfs/dbraw/zinc/39/76/63/554397663.db2.gz JNGXCMVSRMRCLN-DHRITJCHSA-N 0 0 514.319 4.872 40 30 KJEBRN C=CCOc1c(I)cc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc1OC ZINC000059484494 554397630 /nfs/dbraw/zinc/39/76/30/554397630.db2.gz HWIXGSXVISKZKW-DHRITJCHSA-N 0 0 512.303 4.648 40 30 KJEBRN CCCOc1c(I)cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000059484744 554397886 /nfs/dbraw/zinc/39/78/86/554397886.db2.gz XLOVOCCNUFSMQH-ZVHZXABRSA-N 0 0 505.356 4.637 40 30 KJEBRN C=CCOc1c(I)cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC ZINC000059484751 554397774 /nfs/dbraw/zinc/39/77/74/554397774.db2.gz MZRGPUBOAQVOAC-MFKUBSTISA-N 0 0 517.367 4.803 40 30 KJEBRN O=[N+]([O-])c1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059488831 554398343 /nfs/dbraw/zinc/39/83/43/554398343.db2.gz FMPUKHIITCBARD-JFLMPSFJSA-N 0 0 516.583 4.701 40 30 KJEBRN O=[N+]([O-])c1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000059489962 554398627 /nfs/dbraw/zinc/39/86/27/554398627.db2.gz AFZNGLCCMBDOLQ-RDRPBHBLSA-N 0 0 513.627 4.683 40 30 KJEBRN Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000059489979 554398721 /nfs/dbraw/zinc/39/87/21/554398721.db2.gz RZLQEPNLMOFQBA-VUTHCHCSSA-N 0 0 527.654 4.991 40 30 KJEBRN Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000059489980 554398697 /nfs/dbraw/zinc/39/86/97/554398697.db2.gz NAKHKCRRAGWUON-TURZUDJPSA-N 0 0 513.627 4.996 40 30 KJEBRN CN(C)S(=O)(=O)c1cc(/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCCC2)ccc1N1CCCCC1 ZINC000059490060 554399045 /nfs/dbraw/zinc/39/90/45/554399045.db2.gz SQMSUIZVBCVMTD-NHFJDJAPSA-N 0 0 513.664 4.966 40 30 KJEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000059513084 554400491 /nfs/dbraw/zinc/40/04/91/554400491.db2.gz SJIFXJRYERLASR-IAOUMNOZSA-N 0 0 509.030 4.984 40 30 KJEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000059513085 554400505 /nfs/dbraw/zinc/40/05/05/554400505.db2.gz SJIFXJRYERLASR-RYOBIWAXSA-N 0 0 509.030 4.984 40 30 KJEBRN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccccc1 ZINC000059514482 554401565 /nfs/dbraw/zinc/40/15/65/554401565.db2.gz ADXNRUVRPWVZFW-MWAVMZGNSA-N 0 0 529.645 4.916 40 30 KJEBRN O=[N+]([O-])c1cc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)o2)ccc1Cl ZINC000059514508 554401574 /nfs/dbraw/zinc/40/15/74/554401574.db2.gz AAYMGCCJGNDGLQ-CVKSISIWSA-N 0 0 520.937 4.719 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c(OC)c1OC ZINC000059596029 554408544 /nfs/dbraw/zinc/40/85/44/554408544.db2.gz YXVGCXQYHHTGPS-NJVGLYJLSA-N 0 0 551.611 4.935 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c(OC)c1OC ZINC000059596037 554408572 /nfs/dbraw/zinc/40/85/72/554408572.db2.gz YXVGCXQYHHTGPS-NUANOYTQSA-N 0 0 551.611 4.935 40 30 KJEBRN COc1ccc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3cccc(C)c3C)o2)c([N+](=O)[O-])c1 ZINC000059596900 554409180 /nfs/dbraw/zinc/40/91/80/554409180.db2.gz KDWJYGUNXIUKSL-BRJLIKDPSA-N 0 0 500.475 4.996 40 30 KJEBRN Cc1nc2ccccc2nc1COc1c(I)cc(C#N)cc1I ZINC000059663591 554421551 /nfs/dbraw/zinc/42/15/51/554421551.db2.gz KTFQXSVJWQUKCR-UHFFFAOYSA-N 0 0 527.103 4.598 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N/C(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000059670473 554422012 /nfs/dbraw/zinc/42/20/12/554422012.db2.gz HSBVPJRHUJZEIW-VGTBJGJYSA-N 0 0 559.548 4.818 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N/C(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000059670476 554422027 /nfs/dbraw/zinc/42/20/27/554422027.db2.gz HSBVPJRHUJZEIW-GEAZASOLSA-N 0 0 559.548 4.818 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N/C(=O)CCC3CCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000059670479 554421997 /nfs/dbraw/zinc/42/19/97/554421997.db2.gz HSBVPJRHUJZEIW-NINUTEGDSA-N 0 0 559.548 4.818 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N/C(=O)CCC3CCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000059670481 554422029 /nfs/dbraw/zinc/42/20/29/554422029.db2.gz HSBVPJRHUJZEIW-HILIAIFBSA-N 0 0 559.548 4.818 40 30 KJEBRN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000059735192 554427321 /nfs/dbraw/zinc/42/73/21/554427321.db2.gz UPMVENFFJFSXEN-GZGBDJLISA-N 0 0 563.647 4.805 40 30 KJEBRN Cc1cc(C)nc(N=C(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)Nc2cccc(Cl)c2)n1 ZINC000059735520 554427361 /nfs/dbraw/zinc/42/73/61/554427361.db2.gz RSLZMPBDZBJUMZ-CCDWMCETSA-N 0 0 559.070 4.940 40 30 KJEBRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000059836833 554440764 /nfs/dbraw/zinc/44/07/64/554440764.db2.gz VEDJOTYVJUPILC-UHFFFAOYSA-N 0 0 528.446 4.911 40 30 KJEBRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000059836835 554440780 /nfs/dbraw/zinc/44/07/80/554440780.db2.gz BETWAWZYYVDLBW-LBPRGKRZSA-N 0 0 528.446 4.911 40 30 KJEBRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000059836837 554440752 /nfs/dbraw/zinc/44/07/52/554440752.db2.gz BETWAWZYYVDLBW-GFCCVEGCSA-N 0 0 528.446 4.911 40 30 KJEBRN COc1ccc([C@@H](C(=O)C(=O)CC2N(C)c3ccccc3C2(C)C)N2CCN(c3ccccc3F)CC2)cc1 ZINC000059927374 554476139 /nfs/dbraw/zinc/47/61/39/554476139.db2.gz BFQGCOAYZZVPBB-WBOBDVGOSA-N 0 0 529.656 4.939 40 30 KJEBRN Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccc(Cl)cc4Cl)n(Cc4ccco4)c3nc12 ZINC000062700644 554508017 /nfs/dbraw/zinc/50/80/17/554508017.db2.gz FZYPTCBDCPOJSQ-JBASAIQMSA-N 0 0 504.333 4.519 40 30 KJEBRN COc1ccc(NC(=O)C(=NNc2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)C(C)=O)cc1 ZINC000066128992 554528843 /nfs/dbraw/zinc/52/88/43/554528843.db2.gz XKJGQWHILBFFSC-QUPMIFSKSA-N 0 0 548.593 4.806 40 30 KJEBRN COc1ccccc1N1CCN(C(=O)CC[C@]23CC[C@](C)(O)C[C@H]2C(C)(C)C[C@@H]3NC(=O)c2ccc(C#N)cc2)CC1 ZINC000067889682 1067209807 /nfs/dbraw/zinc/20/98/07/1067209807.db2.gz DWLZQZOTVCXAGD-DTBJPNGVSA-N 0 0 572.750 4.762 40 30 biogenic,in-vitro KJEBRN C[C@H](C(=O)N(C)Cc1ccccc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccc(C#N)cc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898895 554535310 /nfs/dbraw/zinc/53/53/10/554535310.db2.gz XWJOYLZCEAWGBL-PFYXGWJOSA-N 0 0 501.671 4.775 40 30 biogenic,in-vitro KJEBRN C[C@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccc(C#N)cc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898896 554535295 /nfs/dbraw/zinc/53/52/95/554535295.db2.gz XWJOYLZCEAWGBL-TXQRODSSSA-N 0 0 501.671 4.775 40 30 biogenic,in-vitro KJEBRN C[C@H](C(=O)NCc1ccc(F)cc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccc(C#N)cc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898899 554535238 /nfs/dbraw/zinc/53/52/38/554535238.db2.gz MGQKARVIZJSCJP-HDOQKFLFSA-N 0 0 505.634 4.572 40 30 biogenic,in-vitro KJEBRN C[C@H](C(=O)NCc1ccc(F)cc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccc(C#N)cc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898900 554535348 /nfs/dbraw/zinc/53/53/48/554535348.db2.gz MGQKARVIZJSCJP-UMONHOOZSA-N 0 0 505.634 4.572 40 30 biogenic,in-vitro KJEBRN OCC[C@@H](CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068568598 554539231 /nfs/dbraw/zinc/53/92/31/554539231.db2.gz HHXFCKYGOIQRBI-BYPYZUCNSA-N 0 0 508.168 4.987 40 30 KJEBRN OCC[C@H](CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068568600 554539321 /nfs/dbraw/zinc/53/93/21/554539321.db2.gz HHXFCKYGOIQRBI-SCSAIBSYSA-N 0 0 508.168 4.987 40 30 KJEBRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070672196 553601897 /nfs/dbraw/zinc/60/18/97/553601897.db2.gz VOSGUYKLNFVTOE-KPSVHEFUSA-N 0 0 581.706 4.522 40 30 KJEBRN COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070692193 553610166 /nfs/dbraw/zinc/61/01/66/553610166.db2.gz XOXKKMSFKNJTJO-VAARWLFVSA-N 0 0 564.723 4.542 40 30 KJEBRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070692194 553610142 /nfs/dbraw/zinc/61/01/42/553610142.db2.gz XOXKKMSFKNJTJO-KRQIYXQSSA-N 0 0 564.723 4.542 40 30 KJEBRN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)OC)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692222 553610334 /nfs/dbraw/zinc/61/03/34/553610334.db2.gz HVAIVUWZBFGAEB-ZOEHSWIYSA-N 0 0 532.681 4.717 40 30 KJEBRN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)OC)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692223 553610303 /nfs/dbraw/zinc/61/03/03/553610303.db2.gz HVAIVUWZBFGAEB-JWRSXNNDSA-N 0 0 532.681 4.717 40 30 KJEBRN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692239 553610299 /nfs/dbraw/zinc/61/02/99/553610299.db2.gz MXTMUXIRRMPEBU-CFKMBSMWSA-N 0 0 522.686 4.706 40 30 KJEBRN COC(=O)[C@@H](NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)c1ccccc1 ZINC000070698050 553613550 /nfs/dbraw/zinc/61/35/50/553613550.db2.gz PTNIEZIDVYVAQH-YZMUKEPJSA-N 0 0 550.696 4.672 40 30 KJEBRN COC(=O)[C@H](NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)c1ccccc1 ZINC000070698053 553613611 /nfs/dbraw/zinc/61/36/11/553613611.db2.gz PTNIEZIDVYVAQH-UFOCNTKASA-N 0 0 550.696 4.672 40 30 KJEBRN CCOC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](O)c1ccccc1 ZINC000070698505 553614511 /nfs/dbraw/zinc/61/45/11/553614511.db2.gz ZFMANMRQOQBFKO-RCOYCQMDSA-N 0 0 579.734 4.992 40 30 KJEBRN CCOC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H](O)c1ccccc1 ZINC000070698512 553614499 /nfs/dbraw/zinc/61/44/99/553614499.db2.gz ZFMANMRQOQBFKO-RMXXAWGGSA-N 0 0 579.734 4.992 40 30 KJEBRN C/C=C(/C)C(=O)O[C@@H]1C(C)=C2[C@H]3CC(=O)[C@@](C)(O)[C@@]3(O)[C@H](OC(=O)CCC)C[C@@](C)(OC(C)=O)[C@@H]2[C@@H]1OC(=O)CCCCCCC ZINC000071746292 553636137 /nfs/dbraw/zinc/63/61/37/553636137.db2.gz PRHKNPKZVZAKQY-STCOPFLKSA-N 0 0 648.790 4.592 40 30 in-vitro KJEBRN C/C=C(/C)C(=O)O[C@@H]1C(C)=C2[C@H]3CC(=O)[C@@](C)(O)[C@@]3(O)[C@H](OC(=O)CCC)C[C@@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000071746293 553636159 /nfs/dbraw/zinc/63/61/59/553636159.db2.gz PRHKNPKZVZAKQY-MFEAEAMWSA-N 0 0 648.790 4.592 40 30 in-vitro KJEBRN C/C=C(/C)C(=O)O[C@@H]1C(C)=C2[C@@H]3CC(=O)[C@@](C)(O)[C@@]3(O)[C@H](OC(=O)CCC)C[C@@](C)(OC(C)=O)[C@@H]2[C@@H]1OC(=O)CCCCCCC ZINC000071746294 553636065 /nfs/dbraw/zinc/63/60/65/553636065.db2.gz PRHKNPKZVZAKQY-PNHQDIGESA-N 0 0 648.790 4.592 40 30 in-vitro KJEBRN C/C=C(/C)C(=O)O[C@@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@](C)(OC(C)=O)C[C@@H](OC(=O)CCC)[C@@]1(O)[C@H]2CC(=O)[C@@]1(C)O ZINC000071746295 553636331 /nfs/dbraw/zinc/63/63/31/553636331.db2.gz PRHKNPKZVZAKQY-OUIOYZERSA-N 0 0 648.790 4.592 40 30 in-vitro KJEBRN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(=O)CC)C[C@@]21C ZINC000072130417 553641729 /nfs/dbraw/zinc/64/17/29/553641729.db2.gz MWHBGLRGUXAGHT-DGBYXFBUSA-N 0 0 560.659 4.778 40 30 in-vitro KJEBRN C=C(C)c1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)OCc1oc(=O)oc1C ZINC000072131104 553642170 /nfs/dbraw/zinc/64/21/70/553642170.db2.gz PSFJJUXSEHXDFN-UHFFFAOYSA-N 0 0 540.580 4.976 40 30 KJEBRN N#CCCN(CCC#N)c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)N(S(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000073275541 553652558 /nfs/dbraw/zinc/65/25/58/553652558.db2.gz QWKSIPIXHVKNIR-ITYLOYPMSA-N 0 0 589.033 4.901 40 30 KJEBRN CC(N=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000073285445 553652679 /nfs/dbraw/zinc/65/26/79/553652679.db2.gz PJYMQECIADKBSP-ONUIUJJFSA-N 0 0 530.006 4.722 40 30 KJEBRN C=C(O[C@H]1C(C)=C2[C@H]3OC(=O)[C@](C)(O)[C@]3(O)[C@H](OC(=O)CCC)C[C@@](C)(OC(C)=O)[C@@H]2[C@H]1OC(=O)CCCCCCC)/C(C)=C/C ZINC000073298835 553652910 /nfs/dbraw/zinc/65/29/10/553652910.db2.gz WILGDJPLXKHUEY-OVQJUIBZSA-N 0 0 648.790 4.915 40 30 KJEBRN C=C(O[C@H]1C(C)=C2[C@H]3OC(=O)[C@](C)(O)[C@]3(O)[C@H](OC(=O)CCC)C[C@@](C)(OC(C)=O)[C@@H]2[C@@H]1OC(=O)CCCCCCC)/C(C)=C/C ZINC000073298838 553652973 /nfs/dbraw/zinc/65/29/73/553652973.db2.gz WILGDJPLXKHUEY-ZJZPISKMSA-N 0 0 648.790 4.915 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C/c2oc(-c3cccc([N+](=O)[O-])c3)c(-c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 ZINC000073336558 553653376 /nfs/dbraw/zinc/65/33/76/553653376.db2.gz AWAWJBVIRQMQJM-AFUMVMLFSA-N 0 0 551.493 4.959 40 30 KJEBRN CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2ccc(-c3csc(COc4ccccc4)n3)cc2)cc1 ZINC000073371371 553653597 /nfs/dbraw/zinc/65/35/97/553653597.db2.gz XLLDEPOMEUPDBU-TWKHWXDSSA-N 0 0 629.782 4.899 40 30 KJEBRN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C(Br)=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C ZINC000077284763 553657574 /nfs/dbraw/zinc/65/75/74/553657574.db2.gz XPLMMPLHIXHNOX-SZOXAQLHSA-N 0 0 599.946 4.809 40 30 in-vitro KJEBRN CC(=O)Oc1cc2c(cc1Cl)C1(OC(=O)c3ccc(C(=O)ON4C(=O)CCC4=O)cc31)c1cc(Cl)c(OC(C)=O)cc1O2 ZINC000077285301 553657899 /nfs/dbraw/zinc/65/78/99/553657899.db2.gz KDFYPGVRLJRTEF-UHFFFAOYSA-N 0 0 626.357 4.633 40 30 in-vitro KJEBRN CCCCCCCCCCCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000077293270 553660295 /nfs/dbraw/zinc/66/02/95/553660295.db2.gz XDIAFMWEZYIYBM-XLACBCRZSA-N 0 0 591.742 4.700 40 30 in-vitro KJEBRN Cc1cn([C@H]2C[C@@H](OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O ZINC000077312007 553663335 /nfs/dbraw/zinc/66/33/35/553663335.db2.gz KDSFSPCVOCJHID-XWHIBYANSA-N 0 0 669.712 4.824 40 30 in-vitro KJEBRN O=C(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(Cl)cc1 ZINC000082158277 553673855 /nfs/dbraw/zinc/67/38/55/553673855.db2.gz VFALVCAGLMEJLW-UHFFFAOYSA-N 0 0 514.650 4.596 40 30 KJEBRN O=C(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(I)cc1 ZINC000082158280 553673842 /nfs/dbraw/zinc/67/38/42/553673842.db2.gz VQRZUDVUZCFTDO-UHFFFAOYSA-N 0 0 606.101 4.547 40 30 KJEBRN Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1C ZINC000082158281 553673883 /nfs/dbraw/zinc/67/38/83/553673883.db2.gz FDDOLFDMTDIZNX-UHFFFAOYSA-N 0 0 508.259 4.559 40 30 KJEBRN CCc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1 ZINC000082158495 553673872 /nfs/dbraw/zinc/67/38/72/553673872.db2.gz BPSRISCSIVKJDI-UHFFFAOYSA-N 0 0 508.259 4.505 40 30 KJEBRN O=C(Nc1ccccc1)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000082175012 553674089 /nfs/dbraw/zinc/67/40/89/553674089.db2.gz AVTIEDKYBAUKNE-LCUIVBHPSA-N 0 0 662.629 4.725 40 30 KJEBRN O=C(Nc1ccccc1)O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000082175015 553674085 /nfs/dbraw/zinc/67/40/85/553674085.db2.gz AVTIEDKYBAUKNE-KFZSMJGVSA-N 0 0 662.629 4.725 40 30 KJEBRN O=C(Nc1ccccc1)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000082175016 553674063 /nfs/dbraw/zinc/67/40/63/553674063.db2.gz AVTIEDKYBAUKNE-IEVQEWPMSA-N 0 0 662.629 4.725 40 30 KJEBRN O=C(Nc1ccccc1)O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000082175019 553674056 /nfs/dbraw/zinc/67/40/56/553674056.db2.gz AVTIEDKYBAUKNE-NFAPWKBDSA-N 0 0 662.629 4.725 40 30 KJEBRN CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000082178569 553674762 /nfs/dbraw/zinc/67/47/62/553674762.db2.gz JFVOFTLGWNTAFL-FFAUZZGUSA-N 0 0 720.753 4.864 40 30 KJEBRN CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000082178572 553674800 /nfs/dbraw/zinc/67/48/00/553674800.db2.gz JFVOFTLGWNTAFL-VACWBXBNSA-N 0 0 720.753 4.864 40 30 KJEBRN CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000082178575 553674770 /nfs/dbraw/zinc/67/47/70/553674770.db2.gz JFVOFTLGWNTAFL-ATRZHLCISA-N 0 0 720.753 4.864 40 30 KJEBRN CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000082178577 553674748 /nfs/dbraw/zinc/67/47/48/553674748.db2.gz JFVOFTLGWNTAFL-PNJRNSHESA-N 0 0 720.753 4.864 40 30 KJEBRN CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc43)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082185617 553675069 /nfs/dbraw/zinc/67/50/69/553675069.db2.gz KABGLUQHCDXHJE-YTVGYATPSA-N 0 0 648.690 4.676 40 30 KJEBRN CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc43)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082185621 553675121 /nfs/dbraw/zinc/67/51/21/553675121.db2.gz KABGLUQHCDXHJE-QNARPTCLSA-N 0 0 648.690 4.676 40 30 KJEBRN CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc43)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082185625 553675091 /nfs/dbraw/zinc/67/50/91/553675091.db2.gz KABGLUQHCDXHJE-VKXNFCCRSA-N 0 0 648.690 4.676 40 30 KJEBRN CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(C(C)=O)c(-c3cccc4ccccc43)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082185628 553675043 /nfs/dbraw/zinc/67/50/43/553675043.db2.gz KABGLUQHCDXHJE-OTVXFJNRSA-N 0 0 648.690 4.676 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O ZINC000082186747 553675562 /nfs/dbraw/zinc/67/55/62/553675562.db2.gz YWQHQTHSSVXTEK-ACHIHNKUSA-N 0 0 730.815 4.890 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O ZINC000082186749 553675504 /nfs/dbraw/zinc/67/55/04/553675504.db2.gz YWQHQTHSSVXTEK-AJQTZOPKSA-N 0 0 730.815 4.890 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O ZINC000082186756 553675551 /nfs/dbraw/zinc/67/55/51/553675551.db2.gz YWQHQTHSSVXTEK-ZWXJPIIXSA-N 0 0 730.815 4.890 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O ZINC000082186764 553675577 /nfs/dbraw/zinc/67/55/77/553675577.db2.gz YWQHQTHSSVXTEK-ROJLCIKYSA-N 0 0 730.815 4.890 40 30 KJEBRN COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000082191628 553676181 /nfs/dbraw/zinc/67/61/81/553676181.db2.gz CTPGLRSMEZXAFK-GCIGRYLYSA-N 0 0 648.690 4.687 40 30 KJEBRN COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000082191631 553676169 /nfs/dbraw/zinc/67/61/69/553676169.db2.gz CTPGLRSMEZXAFK-QEUNAIBPSA-N 0 0 648.690 4.687 40 30 KJEBRN COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000082191635 553676173 /nfs/dbraw/zinc/67/61/73/553676173.db2.gz CTPGLRSMEZXAFK-DSSMMGBBSA-N 0 0 648.690 4.687 40 30 KJEBRN COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 ZINC000082191638 553676193 /nfs/dbraw/zinc/67/61/93/553676193.db2.gz CTPGLRSMEZXAFK-AXJWHHPRSA-N 0 0 648.690 4.687 40 30 KJEBRN CCOC(=O)c1c(C)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=S)c(C#N)c1-c1cccc2ccccc21 ZINC000082195364 553676206 /nfs/dbraw/zinc/67/62/06/553676206.db2.gz VEHGZWVRQJUION-YTVGYATPSA-N 0 0 678.716 4.650 40 30 KJEBRN CCOC(=O)c1c(C)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=S)c(C#N)c1-c1cccc2ccccc21 ZINC000082195367 553676204 /nfs/dbraw/zinc/67/62/04/553676204.db2.gz VEHGZWVRQJUION-QNARPTCLSA-N 0 0 678.716 4.650 40 30 KJEBRN CCOC(=O)c1c(C)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=S)c(C#N)c1-c1cccc2ccccc21 ZINC000082195369 553676208 /nfs/dbraw/zinc/67/62/08/553676208.db2.gz VEHGZWVRQJUION-VKXNFCCRSA-N 0 0 678.716 4.650 40 30 KJEBRN CCOC(=O)c1c(C)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=S)c(C#N)c1-c1cccc2ccccc21 ZINC000082195371 553676211 /nfs/dbraw/zinc/67/62/11/553676211.db2.gz VEHGZWVRQJUION-OTVXFJNRSA-N 0 0 678.716 4.650 40 30 KJEBRN CC(C)(F)C[C@H](N[C@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 ZINC000083259422 553676322 /nfs/dbraw/zinc/67/63/22/553676322.db2.gz FWIVDMJALNEADT-LEWJYISDSA-N 0 0 525.568 4.629 40 30 in-vitro KJEBRN CC(C)(F)C[C@@H](N[C@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 ZINC000083259423 553676263 /nfs/dbraw/zinc/67/62/63/553676263.db2.gz FWIVDMJALNEADT-NHCUHLMSSA-N 0 0 525.568 4.629 40 30 KJEBRN Cc1ccc(S(=O)(=O)OC[C@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000085897599 553690884 /nfs/dbraw/zinc/69/08/84/553690884.db2.gz DHQKUKUEQIGBNB-LTXXGDHTSA-N 0 0 630.671 4.776 40 30 KJEBRN Cc1ccc(S(=O)(=O)OC[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000085897600 553690880 /nfs/dbraw/zinc/69/08/80/553690880.db2.gz DHQKUKUEQIGBNB-XFBWMNOSSA-N 0 0 630.671 4.776 40 30 KJEBRN Cc1ccc(S(=O)(=O)OC[C@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000085897604 553690951 /nfs/dbraw/zinc/69/09/51/553690951.db2.gz DHQKUKUEQIGBNB-OMRVPHBLSA-N 0 0 630.671 4.776 40 30 KJEBRN Cc1ccc(S(=O)(=O)OC[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000085897607 553690955 /nfs/dbraw/zinc/69/09/55/553690955.db2.gz DHQKUKUEQIGBNB-UJOGNLFBSA-N 0 0 630.671 4.776 40 30 KJEBRN COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000085902378 553691357 /nfs/dbraw/zinc/69/13/57/553691357.db2.gz XOXKKMSFKNJTJO-MIHLUFNDSA-N 0 0 564.723 4.542 40 30 KJEBRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000085902383 553691395 /nfs/dbraw/zinc/69/13/95/553691395.db2.gz XOXKKMSFKNJTJO-ZRXOLXRCSA-N 0 0 564.723 4.542 40 30 KJEBRN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)OC)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000085902394 553691412 /nfs/dbraw/zinc/69/14/12/553691412.db2.gz HVAIVUWZBFGAEB-MSLNWFHGSA-N 0 0 532.681 4.717 40 30 KJEBRN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)OC)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000085902397 553691359 /nfs/dbraw/zinc/69/13/59/553691359.db2.gz HVAIVUWZBFGAEB-ADFGBMJVSA-N 0 0 532.681 4.717 40 30 KJEBRN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000085902412 553691402 /nfs/dbraw/zinc/69/14/02/553691402.db2.gz MXTMUXIRRMPEBU-VQXKAYMLSA-N 0 0 522.686 4.706 40 30 KJEBRN COC(=O)[C@@H](NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12)c1ccccc1 ZINC000085907059 553691657 /nfs/dbraw/zinc/69/16/57/553691657.db2.gz FZMJVIPEDOROSZ-KZEMZETPSA-N 0 0 520.670 4.879 40 30 KJEBRN COC(=O)[C@H](NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12)c1ccccc1 ZINC000085907060 553691742 /nfs/dbraw/zinc/69/17/42/553691742.db2.gz FZMJVIPEDOROSZ-ZDCIWJJOSA-N 0 0 520.670 4.879 40 30 KJEBRN COC(=O)[C@@H](NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)c1ccccc1 ZINC000085907132 553691996 /nfs/dbraw/zinc/69/19/96/553691996.db2.gz PTNIEZIDVYVAQH-ZDTKZBDCSA-N 0 0 550.696 4.672 40 30 KJEBRN COC(=O)[C@H](NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)c1ccccc1 ZINC000085907134 553691967 /nfs/dbraw/zinc/69/19/67/553691967.db2.gz PTNIEZIDVYVAQH-DZMMZSJDSA-N 0 0 550.696 4.672 40 30 KJEBRN FC(F)(F)c1nn(CN2CCN(Cn3nc(C(F)(F)F)n(/N=C\c4ccc5c(c4)OCO5)c3=S)CC2)c(=S)n1/N=C\c1ccc2c(c1)OCO2 ZINC000095100375 553698763 /nfs/dbraw/zinc/69/87/63/553698763.db2.gz NYJNLMJRZLXFPJ-OYUUPXSISA-N 0 0 742.688 4.634 40 30 KJEBRN FC(F)(F)c1nn(CN2CCN(Cn3nc(C(F)(F)F)n(/N=C\c4ccc5c(c4)OCO5)c3=S)CC2)c(=S)n1/N=C/c1ccc2c(c1)OCO2 ZINC000095100376 553698759 /nfs/dbraw/zinc/69/87/59/553698759.db2.gz NYJNLMJRZLXFPJ-OETYMVPYSA-N 0 0 742.688 4.634 40 30 KJEBRN FC(F)(F)c1nn(CN2CCN(Cn3nc(C(F)(F)F)n(/N=C/c4ccc5c(c4)OCO5)c3=S)CC2)c(=S)n1/N=C/c1ccc2c(c1)OCO2 ZINC000095100377 553698697 /nfs/dbraw/zinc/69/86/97/553698697.db2.gz NYJNLMJRZLXFPJ-KSFZRBHCSA-N 0 0 742.688 4.634 40 30 KJEBRN O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000095676432 553707263 /nfs/dbraw/zinc/70/72/63/553707263.db2.gz GYLLYBQBCXMWHG-UHFFFAOYSA-N 0 0 573.261 4.950 40 30 KJEBRN O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095708003 553709627 /nfs/dbraw/zinc/70/96/27/553709627.db2.gz INHUGMSOQLWBTP-UHFFFAOYSA-N 0 0 526.189 4.606 40 30 KJEBRN CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO ZINC000095875934 553714405 /nfs/dbraw/zinc/71/44/05/553714405.db2.gz JEKWNQSRRXIGSA-UHFFFAOYSA-N 0 0 522.764 4.796 40 30 KJEBRN N=C1N=C(c2ccccc2)/C(=N/Nc2cccc(S(=O)(=O)Nc3ccc(I)cc3)c2)S1 ZINC000096021864 553717855 /nfs/dbraw/zinc/71/78/55/553717855.db2.gz CELKOWRLKCPJRD-AHERCDRXSA-N 0 0 561.430 4.988 40 30 KJEBRN COc1cc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000097939615 553759678 /nfs/dbraw/zinc/75/96/78/553759678.db2.gz VIKNSJMYTVRLNG-IAKTWSEQSA-N 0 0 539.650 4.858 40 30 KJEBRN COc1cc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000097939617 553759756 /nfs/dbraw/zinc/75/97/56/553759756.db2.gz VIKNSJMYTVRLNG-LGRWACDXSA-N 0 0 539.650 4.858 40 30 KJEBRN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@H]2c1coc2ccccc2c1=O ZINC000097939756 553761040 /nfs/dbraw/zinc/76/10/40/553761040.db2.gz RVYAGXBJOFFMNY-WAPJKPAKSA-N 0 0 541.600 4.885 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc(Br)c1OC ZINC000097939985 553763023 /nfs/dbraw/zinc/76/30/23/553763023.db2.gz BTFJKAMLACKNDK-FSJXIACGSA-N 0 0 596.540 4.766 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc(Br)c1OC ZINC000097939987 553763067 /nfs/dbraw/zinc/76/30/67/553763067.db2.gz BTFJKAMLACKNDK-XDCJIHQESA-N 0 0 596.540 4.766 40 30 KJEBRN CCOc1cc(/C=C/C(=O)ON2C(=O)CCC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097942961 553768280 /nfs/dbraw/zinc/76/82/80/553768280.db2.gz OJVVKZXJBMONCK-JXMROGBWSA-N 0 0 508.752 4.701 40 30 KJEBRN COc1cc(/C=C/C(=O)ON2C(=O)CCC2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000097942976 553768258 /nfs/dbraw/zinc/76/82/58/553768258.db2.gz BEELCRSROKQNKL-XVNBXDOJSA-N 0 0 529.170 4.964 40 30 KJEBRN COc1cc(NC(=NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)Nc2nc(C)cc(C)n2)c(OC)cc1Cl ZINC000097960485 553871884 /nfs/dbraw/zinc/87/18/84/553871884.db2.gz DIHJYESACICXAY-WRALFONMSA-N 0 0 619.122 4.957 40 30 KJEBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000097961920 553881663 /nfs/dbraw/zinc/88/16/63/553881663.db2.gz AQJYYLSIUCAANR-MFOYZWKCSA-N 0 0 522.389 4.581 40 30 KJEBRN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097965902 553906183 /nfs/dbraw/zinc/90/61/83/553906183.db2.gz HIDOHKBDJZRSNL-NWYRMIJBSA-N 0 0 539.548 4.692 40 30 KJEBRN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097965903 553906187 /nfs/dbraw/zinc/90/61/87/553906187.db2.gz HIDOHKBDJZRSNL-NGTRALNISA-N 0 0 539.548 4.692 40 30 KJEBRN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000097965926 553906212 /nfs/dbraw/zinc/90/62/12/553906212.db2.gz CRJWEEUOQJZPSD-SSEXGKCCSA-N 0 0 548.643 4.840 40 30 KJEBRN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000097965927 553906101 /nfs/dbraw/zinc/90/61/01/553906101.db2.gz CRJWEEUOQJZPSD-PMERELPUSA-N 0 0 548.643 4.840 40 30 KJEBRN CN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccccc2)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000097972268 553966360 /nfs/dbraw/zinc/96/63/60/553966360.db2.gz LPPHIXVNBISVGL-UAQSSNJASA-N 0 0 528.634 4.775 40 30 KJEBRN CC(=O)c1cccc(N2Cc3ccccc3C2=NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 ZINC000097979361 553978437 /nfs/dbraw/zinc/97/84/37/553978437.db2.gz JIGJFMXLCUQOFU-LAPDZXRHSA-N 0 0 607.688 4.787 40 30 KJEBRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1/C(=N/c2cccc(C(F)(F)F)c2)SCC1(C)C ZINC000097980381 553988085 /nfs/dbraw/zinc/98/80/85/553988085.db2.gz GPWHTZTUOZFCKO-SLMZUGIISA-N 0 0 541.617 4.690 40 30 KJEBRN NS(=O)(=O)c1ccc(NN=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 ZINC000097980686 553990275 /nfs/dbraw/zinc/99/02/75/553990275.db2.gz YZKYBXSKSVHVHD-WYMPLXKRSA-N 0 0 539.249 4.884 40 30 KJEBRN CCCCCN1c2ccccc2C(=NNc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])C1=O ZINC000097980690 553990299 /nfs/dbraw/zinc/99/02/99/553990299.db2.gz YEZTVVBYUFSMNZ-AZPGRJICSA-N 0 0 537.598 4.757 40 30 KJEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000097980694 553990277 /nfs/dbraw/zinc/99/02/77/553990277.db2.gz WEPVOIKVFTTZIS-VUTHCHCSSA-N 0 0 564.737 4.771 40 30 KJEBRN CC(N=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 ZINC000097980713 553990603 /nfs/dbraw/zinc/99/06/03/553990603.db2.gz NYTATPVPDYBBDJ-QQXSKIMKSA-N 0 0 525.612 4.660 40 30 KJEBRN CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000097980716 553990685 /nfs/dbraw/zinc/99/06/85/553990685.db2.gz BRHJQBJLWBMCMW-ROTLSHHCSA-N 0 0 522.477 4.664 40 30 KJEBRN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000097980731 553990595 /nfs/dbraw/zinc/99/05/95/553990595.db2.gz QIBLBAYDYPOPJS-ONUIUJJFSA-N 0 0 530.006 4.722 40 30 KJEBRN CC(C)CN1C(=O)C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2Cl)c2ccccc21 ZINC000097980732 553990580 /nfs/dbraw/zinc/99/05/80/553990580.db2.gz IVEQSPWSOUHBRX-SLEBQGDGSA-N 0 0 527.990 4.868 40 30 KJEBRN C/C(=N/NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)Cc1ccccc1-2 ZINC000097980877 553991002 /nfs/dbraw/zinc/99/10/02/553991002.db2.gz UNPFKVKPZARGJS-RHANQZHGSA-N 0 0 541.098 4.643 40 30 KJEBRN COc1ccc(-c2nn(-c3ccccc3)cc2C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1OC ZINC000097980932 553991215 /nfs/dbraw/zinc/99/12/15/553991215.db2.gz VFJMQPAUGOUNRK-VRRKWPKRSA-N 0 0 561.545 4.959 40 30 KJEBRN COc1ccc(-c2nn(-c3ccccc3)cc2C=NN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1OC ZINC000097980933 553991310 /nfs/dbraw/zinc/99/13/10/553991310.db2.gz VFJMQPAUGOUNRK-KDQKKPGHSA-N 0 0 561.545 4.959 40 30 KJEBRN CCN(CC)S(=O)(=O)c1ccc(N=NCc2cc(C)n(-c3ccc(I)cc3)c2C)nc1 ZINC000097980941 553991179 /nfs/dbraw/zinc/99/11/79/553991179.db2.gz PGFVOUUXMFIKID-AFUMVMLFSA-N 0 0 551.454 4.570 40 30 KJEBRN CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)nc1 ZINC000097980942 553991322 /nfs/dbraw/zinc/99/13/22/553991322.db2.gz JOGQZOJMGLGHAG-OKCVXOCRSA-N 0 0 553.685 4.509 40 30 KJEBRN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(Cl)=NNc1ccccc1C(F)(F)F ZINC000097980997 553991667 /nfs/dbraw/zinc/99/16/67/553991667.db2.gz NHXDAMAWXXFLPZ-PKAZHMFMSA-N 0 0 525.336 4.632 40 30 KJEBRN N#C/C(c1nnc2n1CCCCC2)=c1\s/c(=C/c2ccc(-c3ccc(Br)cc3)o2)c(=O)n1-c1ccccc1 ZINC000097981732 553996568 /nfs/dbraw/zinc/99/65/68/553996568.db2.gz IMKXYFWPCTVMTD-SYQJIQKSSA-N 0 0 584.499 4.791 40 30 KJEBRN CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n1-c1ccc(Cl)cc1 ZINC000097981764 553996878 /nfs/dbraw/zinc/99/68/78/553996878.db2.gz NTYFAHIMYVNPBG-WHGIRICVSA-N 0 0 533.993 4.839 40 30 KJEBRN CCCc1ccc(C(=O)/C(C#N)=c2/s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000097981765 553996905 /nfs/dbraw/zinc/99/69/05/553996905.db2.gz LVMXGGCUFGKRRU-HLRVVDGKSA-N 0 0 543.044 4.677 40 30 KJEBRN COc1cc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(CCc3ccccc3)c2=O)ccc1OC(F)F ZINC000097981781 553996926 /nfs/dbraw/zinc/99/69/26/553996926.db2.gz FZZZQHFHJRECRD-PMWRAUDOSA-N 0 0 694.782 4.728 40 30 KJEBRN COc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n(CCc3ccccc3)c2=O)cc1OC ZINC000097981782 553996909 /nfs/dbraw/zinc/99/69/09/553996909.db2.gz NEPUCAAJORMWHD-RINFRFPZSA-N 0 0 670.835 4.607 40 30 KJEBRN COc1ccc(-n2c(=O)/c(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)s/c2=C(/C#N)C(=O)C(C)(C)C)cc1 ZINC000097981792 553997306 /nfs/dbraw/zinc/99/73/06/553997306.db2.gz PIOGZQBSJZMDHZ-CGHAPJCNSA-N 0 0 618.715 4.650 40 30 KJEBRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000097981794 553997278 /nfs/dbraw/zinc/99/72/78/553997278.db2.gz RHWNIHFRZVPFJS-LNJPWEAOSA-N 0 0 590.705 4.887 40 30 KJEBRN COc1ccc(-n2c(=O)/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)s/c2=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000097981800 553997348 /nfs/dbraw/zinc/99/73/48/553997348.db2.gz WTMKGDFEEUUIQC-LGVXSGIGSA-N 0 0 669.203 4.848 40 30 KJEBRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(-c3ccccc3OC)c2=O)cc1OC ZINC000097981806 553997255 /nfs/dbraw/zinc/99/72/55/553997255.db2.gz KUVHEJKNVJRYBT-PTJUAQFZSA-N 0 0 620.731 4.896 40 30 KJEBRN CCOc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n(Cc3ccc(OC)cc3)c2=O)cc1 ZINC000097981833 553997264 /nfs/dbraw/zinc/99/72/64/553997264.db2.gz RAPJIFBPBWIQHE-CCSMJOCUSA-N 0 0 670.835 4.802 40 30 KJEBRN CC(C)(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(Br)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000097981836 553997564 /nfs/dbraw/zinc/99/75/64/553997564.db2.gz OLTIEGVNPNPAAF-QEYQBEGQSA-N 0 0 535.385 4.799 40 30 KJEBRN CC(C)(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C(F)(F)F ZINC000097981857 553997571 /nfs/dbraw/zinc/99/75/71/553997571.db2.gz QYTBOPAGKMYCEE-BFKYXJSMSA-N 0 0 611.627 4.885 40 30 KJEBRN N#C/C(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)=c1/s/c(=C/c2ccccn2)c(=O)n1-c1ccccc1C(F)(F)F ZINC000097981869 553997967 /nfs/dbraw/zinc/99/79/67/553997967.db2.gz APSRRONHJWETFW-HWWDJRFKSA-N 0 0 651.714 4.750 40 30 KJEBRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(-c3ccc(Cl)c(Cl)c3)c2=O)cc1 ZINC000097981892 553998060 /nfs/dbraw/zinc/99/80/60/553998060.db2.gz RBRIDOJRRFETPT-CYYLNVKKSA-N 0 0 697.622 4.958 40 30 KJEBRN COc1cc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(-c3ccccc3F)c2=O)ccc1OC(F)F ZINC000097981921 553998231 /nfs/dbraw/zinc/99/82/31/553998231.db2.gz VUHKPUNKKCJXSE-RMIZRQDGSA-N 0 0 684.718 4.614 40 30 KJEBRN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)n(-c3ccccc3F)c2=O)c(OC)c1OC ZINC000097981934 553998265 /nfs/dbraw/zinc/99/82/65/553998265.db2.gz KBRBCBFKOKICLV-WKTYXOAHSA-N 0 0 599.562 4.874 40 30 KJEBRN CC(C)CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000097981977 553998595 /nfs/dbraw/zinc/99/85/95/553998595.db2.gz XGQWKKVEIXYSLY-VFYDMCDDSA-N 0 0 548.706 4.861 40 30 KJEBRN CC(C)CC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000097981978 553998490 /nfs/dbraw/zinc/99/84/90/553998490.db2.gz XGQWKKVEIXYSLY-CWHVSTADSA-N 0 0 548.706 4.861 40 30 KJEBRN CC(C)CC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000097981979 553998591 /nfs/dbraw/zinc/99/85/91/553998591.db2.gz XGQWKKVEIXYSLY-KERPMIIGSA-N 0 0 548.706 4.861 40 30 KJEBRN CC(C)CC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000097981980 553998598 /nfs/dbraw/zinc/99/85/98/553998598.db2.gz XGQWKKVEIXYSLY-UEDPMERDSA-N 0 0 548.706 4.861 40 30 KJEBRN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(OC)c(OC)c3)S/C2=N\c2ccccc2)cc1OC ZINC000097982022 553999257 /nfs/dbraw/zinc/99/92/57/553999257.db2.gz HKADJGSNIUHGSD-OJEZVBBGSA-N 0 0 535.622 4.882 40 30 KJEBRN COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(OC)c(OC)c3)S/C2=N\c2ccccc2)cc1OC ZINC000097982023 553999136 /nfs/dbraw/zinc/99/91/36/553999136.db2.gz HKADJGSNIUHGSD-DXWCKFLSSA-N 0 0 535.622 4.882 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S/C2=N\c2ccc(F)cc2)cc1 ZINC000097982048 553999231 /nfs/dbraw/zinc/99/92/31/553999231.db2.gz UYZIMNKSUZUDJW-HZVWYJMBSA-N 0 0 552.584 4.954 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S/C2=N\c2ccc(F)cc2)cc1 ZINC000097982049 553999130 /nfs/dbraw/zinc/99/91/30/553999130.db2.gz UYZIMNKSUZUDJW-MLNTVTBVSA-N 0 0 552.584 4.954 40 30 KJEBRN COCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S/C1=N\c1ccc(SC(F)F)cc1 ZINC000097982100 553999866 /nfs/dbraw/zinc/99/98/66/553999866.db2.gz SKQKZRBSCMGLQA-FGGSVNHKSA-N 0 0 540.570 4.525 40 30 KJEBRN COCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S/C1=N\c1ccc(SC(F)F)cc1 ZINC000097982101 553999886 /nfs/dbraw/zinc/99/98/86/553999886.db2.gz SKQKZRBSCMGLQA-UEAMBXKFSA-N 0 0 540.570 4.525 40 30 KJEBRN CC(C)CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982147 554000339 /nfs/dbraw/zinc/00/03/39/554000339.db2.gz BQQYHVBGWUQDFK-DHZAFVTGSA-N 0 0 590.743 4.632 40 30 KJEBRN CC(C)CC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982148 554000311 /nfs/dbraw/zinc/00/03/11/554000311.db2.gz BQQYHVBGWUQDFK-HAFWIRPNSA-N 0 0 590.743 4.632 40 30 KJEBRN CC(C)CC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982149 554000367 /nfs/dbraw/zinc/00/03/67/554000367.db2.gz BQQYHVBGWUQDFK-KIBSWYNISA-N 0 0 590.743 4.632 40 30 KJEBRN CC(C)CC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982150 554000332 /nfs/dbraw/zinc/00/03/32/554000332.db2.gz BQQYHVBGWUQDFK-VSGKJVOYSA-N 0 0 590.743 4.632 40 30 KJEBRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000097982397 554001816 /nfs/dbraw/zinc/00/18/16/554001816.db2.gz LUJVNBRXWVFCFQ-RDRPBHBLSA-N 0 0 537.041 4.973 40 30 KJEBRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000097982399 554001954 /nfs/dbraw/zinc/00/19/54/554001954.db2.gz OLLNNDYMORBBCH-CCVNUDIWSA-N 0 0 526.968 4.933 40 30 KJEBRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000097982400 554001857 /nfs/dbraw/zinc/00/18/57/554001857.db2.gz VPQHFVOWYOQGBB-CCVNUDIWSA-N 0 0 526.968 4.933 40 30 KJEBRN Cc1c(NS(=O)(=O)c2ccc(Cl)c(N/N=C3/SC(=N)N=C3c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000097982650 554004318 /nfs/dbraw/zinc/00/43/18/554004318.db2.gz KGLFILDFUMQCJX-DDQAXIPHSA-N 0 0 580.095 4.835 40 30 KJEBRN Cc1cccn2c(=O)c(/C=N/c3cccc(S(=O)(=O)N4CCOCC4)c3)c(Sc3nc4ccccc4s3)nc12 ZINC000097983634 554010630 /nfs/dbraw/zinc/01/06/30/554010630.db2.gz UWUKDQZBBQODLM-OGLMXYFKSA-N 0 0 577.713 4.535 40 30 KJEBRN CCC[C@H]1S/C(=N/N=C/c2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000097983711 554011044 /nfs/dbraw/zinc/01/10/44/554011044.db2.gz BNPFJTOHLAAJEZ-CNPYVQQSSA-N 0 0 575.304 4.701 40 30 KJEBRN O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)c1ccccc1I ZINC000097983866 554012417 /nfs/dbraw/zinc/01/24/17/554012417.db2.gz DEFZWPVRPHBPGS-CLCOLTQESA-N 0 0 565.152 4.939 40 30 KJEBRN O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000097983870 554012324 /nfs/dbraw/zinc/01/23/24/554012324.db2.gz UDKKEKOUDWQYKB-GNVQSUKOSA-N 0 0 600.482 4.899 40 30 KJEBRN Cc1nn2c(nc(N3CCOCC3)c3ccccc32)c1CN=Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000097984180 554014652 /nfs/dbraw/zinc/01/46/52/554014652.db2.gz MBKTVIMLUYJONG-FDAWAROLSA-N 0 0 614.688 4.799 40 30 KJEBRN O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000097984264 554014976 /nfs/dbraw/zinc/01/49/76/554014976.db2.gz BSQALCKDXMGVSG-VYIQYICTSA-N 0 0 553.360 4.842 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)S/C2=N/c2ccc(OC)cc2)cc1 ZINC000097994065 554031426 /nfs/dbraw/zinc/03/14/26/554031426.db2.gz MZKGWQBNFWFENN-JICWPOMZSA-N 0 0 519.623 4.915 40 30 KJEBRN Oc1c(I)cc(I)cc1CN=Nc1nc(Nc2cccc(Br)c2)nc(N2CCOCC2)n1 ZINC000098001246 554051861 /nfs/dbraw/zinc/05/18/61/554051861.db2.gz VOZFIAFSOIFAED-MYKKPKGFSA-N 0 0 722.123 4.575 40 30 KJEBRN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3[C@@]2(C#N)C(N)=O)cc1OC ZINC000098009062 554069193 /nfs/dbraw/zinc/06/91/93/554069193.db2.gz NXZUBBVKIGIYCG-GFQWBHFJSA-N 0 0 531.971 4.742 40 30 KJEBRN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3[C@@]2(C#N)C(N)=O)cc1OC ZINC000098009063 554069156 /nfs/dbraw/zinc/06/91/56/554069156.db2.gz NXZUBBVKIGIYCG-NANFOGFDSA-N 0 0 531.971 4.742 40 30 KJEBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(F)cc4C=C[C@@H]3[C@@]2(C#N)C(N)=O)cc1OC ZINC000098009064 554069166 /nfs/dbraw/zinc/06/91/66/554069166.db2.gz NXZUBBVKIGIYCG-DAMQTCOWSA-N 0 0 531.971 4.742 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000098045768 554133821 /nfs/dbraw/zinc/13/38/21/554133821.db2.gz JSWREINIRCNZTR-XOYGFPHKSA-N 0 0 650.922 4.630 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000098045769 554133860 /nfs/dbraw/zinc/13/38/60/554133860.db2.gz JSWREINIRCNZTR-YJADQXIJSA-N 0 0 650.922 4.630 40 30 KJEBRN CN(CC1OCCO1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000098045790 554133837 /nfs/dbraw/zinc/13/38/37/554133837.db2.gz CCJLCOXCNYOOEL-UHFFFAOYSA-N 0 0 563.204 4.827 40 30 KJEBRN C[N+](C)(C)CCC[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100022494 554182119 /nfs/dbraw/zinc/18/21/19/554182119.db2.gz FGTDPZOJJFPWCB-UHFFFAOYSA-N 0 0 599.327 4.969 40 30 KJEBRN COc1ccc(C(=O)O/N=C2\CCCc3cc(OC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c(C)cc32)cc1[N+](=O)[O-] ZINC000100025421 554183291 /nfs/dbraw/zinc/18/32/91/554183291.db2.gz ZTYHMKZHHOFWBJ-VFCFBJKWSA-N 0 0 549.492 4.945 40 30 KJEBRN CCOC(=O)C1=C(C)N=C2S/C(=N/Nc3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(OC)cc1 ZINC000100058394 554197321 /nfs/dbraw/zinc/19/73/21/554197321.db2.gz HNEGEOARFDILEE-BQONFIEISA-N 0 0 529.416 4.707 40 30 KJEBRN CCOC(=O)C1=C(C)N=C2S/C(=N/Nc3ccc(Br)cc3)C(=O)N2[C@H]1c1ccc(OC)cc1 ZINC000100058398 554197341 /nfs/dbraw/zinc/19/73/41/554197341.db2.gz HNEGEOARFDILEE-GNOYWZPDSA-N 0 0 529.416 4.707 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC ZINC000100061451 554198684 /nfs/dbraw/zinc/19/86/84/554198684.db2.gz QYAIRPWREVHPHI-NUGSKGIGSA-N 0 0 537.181 4.672 40 30 KJEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(I)c1OCC(=O)OC ZINC000100061572 554198742 /nfs/dbraw/zinc/19/87/42/554198742.db2.gz GHSUQBFQYTUHLZ-NUGSKGIGSA-N 0 0 537.181 4.672 40 30 KJEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cc2c(cc1Br)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000100061889 554198688 /nfs/dbraw/zinc/19/86/88/554198688.db2.gz RRPORCCKRGODTD-VMBKIOOXSA-N 0 0 537.370 4.853 40 30 KJEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cc2c(cc1Br)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000100061895 554198747 /nfs/dbraw/zinc/19/87/47/554198747.db2.gz RRPORCCKRGODTD-YABZZONLSA-N 0 0 537.370 4.853 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100079182 554205767 /nfs/dbraw/zinc/20/57/67/554205767.db2.gz KDNMQGAFDHYYRO-DXUGRCAZSA-N 0 0 601.732 4.739 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000100079184 554205734 /nfs/dbraw/zinc/20/57/34/554205734.db2.gz KDNMQGAFDHYYRO-KOHOJCOXSA-N 0 0 601.732 4.739 40 30 KJEBRN O=C(ON1C(=O)CCC1=O)c1ccc2c(c1)C(=O)OC21c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCCN4CCC3 ZINC000100086235 554208957 /nfs/dbraw/zinc/20/89/57/554208957.db2.gz CMUKTYXAAQXJCU-UHFFFAOYSA-N 0 0 631.685 4.873 40 30 KJEBRN COc1ccc([C@H]2CC(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000100099512 554219509 /nfs/dbraw/zinc/21/95/09/554219509.db2.gz KNBWBVWRLKORGX-ARHRNGFTSA-N 0 0 526.513 4.806 40 30 KJEBRN COc1ccc([C@H]2CC(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000100099515 554219633 /nfs/dbraw/zinc/21/96/33/554219633.db2.gz KNBWBVWRLKORGX-GJNCOHLKSA-N 0 0 526.513 4.806 40 30 KJEBRN COc1ccc([C@@H]2CC(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000100099517 554219499 /nfs/dbraw/zinc/21/94/99/554219499.db2.gz KNBWBVWRLKORGX-HYZJTSFISA-N 0 0 526.513 4.806 40 30 KJEBRN COc1ccc([C@@H]2CC(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000100099520 554219488 /nfs/dbraw/zinc/21/94/88/554219488.db2.gz KNBWBVWRLKORGX-JCTRLGDHSA-N 0 0 526.513 4.806 40 30 KJEBRN Cc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1Br ZINC000100100792 554220000 /nfs/dbraw/zinc/22/00/00/554220000.db2.gz MAUDJOOEISVSLX-FVDSYPCUSA-N 0 0 534.414 4.913 40 30 KJEBRN Cc1cccc(/N=c2\scc(-c3ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc3)n2N2CCN(C)CC2)c1C ZINC000100142221 554228226 /nfs/dbraw/zinc/22/82/26/554228226.db2.gz GRPUUNKGIHUINA-KRUMMXJUSA-N 0 0 572.650 4.555 40 30 KJEBRN Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000100151227 554231500 /nfs/dbraw/zinc/23/15/00/554231500.db2.gz KDJJVFIPUNJMNK-MTDXEUNCSA-N 0 0 558.624 4.904 40 30 KJEBRN Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000100151231 554231577 /nfs/dbraw/zinc/23/15/77/554231577.db2.gz IKDSRYXILPRBOX-OCSSWDANSA-N 0 0 571.663 4.720 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000100151395 554231820 /nfs/dbraw/zinc/23/18/20/554231820.db2.gz XIPFZPFUHVEWEL-URORMMCBSA-N 0 0 567.642 4.617 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000100151398 554231816 /nfs/dbraw/zinc/23/18/16/554231816.db2.gz XIPFZPFUHVEWEL-STXQHDJLSA-N 0 0 567.642 4.617 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100151650 554231824 /nfs/dbraw/zinc/23/18/24/554231824.db2.gz CNVPDKUXRXYBOZ-XWGVYQGASA-N 0 0 577.559 4.847 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100151655 554231826 /nfs/dbraw/zinc/23/18/26/554231826.db2.gz CNVPDKUXRXYBOZ-NHTMILBNSA-N 0 0 577.559 4.847 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100152168 554232045 /nfs/dbraw/zinc/23/20/45/554232045.db2.gz SDYKWOLDWQXINH-HVCNVCAESA-N 0 0 544.554 4.712 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100152173 554231975 /nfs/dbraw/zinc/23/19/75/554231975.db2.gz SDYKWOLDWQXINH-VJTSUQJLSA-N 0 0 544.554 4.712 40 30 KJEBRN C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000100152875 554232283 /nfs/dbraw/zinc/23/22/83/554232283.db2.gz XMUPJLMNEOAPEF-LHZZAWLBSA-N 0 0 573.657 4.643 40 30 KJEBRN C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 ZINC000100152880 554232198 /nfs/dbraw/zinc/23/21/98/554232198.db2.gz XMUPJLMNEOAPEF-UTAHIEMPSA-N 0 0 573.657 4.643 40 30 KJEBRN C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000100152965 554232233 /nfs/dbraw/zinc/23/22/33/554232233.db2.gz QJMBOOLWYLECBB-GEJBHLAJSA-N 0 0 573.657 4.643 40 30 KJEBRN C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000100152977 554232332 /nfs/dbraw/zinc/23/23/32/554232332.db2.gz QJMBOOLWYLECBB-SBOIZKDVSA-N 0 0 573.657 4.643 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100155812 554232544 /nfs/dbraw/zinc/23/25/44/554232544.db2.gz PTBJKMYGZGXNBI-OPXMRZJTSA-N 0 0 544.554 4.712 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100155817 554232521 /nfs/dbraw/zinc/23/25/21/554232521.db2.gz PTBJKMYGZGXNBI-YNJKOYDBSA-N 0 0 544.554 4.712 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100157567 554233171 /nfs/dbraw/zinc/23/31/71/554233171.db2.gz CNLQEXKEXMONMB-XWGVYQGASA-N 0 0 577.559 4.847 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100157572 554233175 /nfs/dbraw/zinc/23/31/75/554233175.db2.gz CNLQEXKEXMONMB-NHTMILBNSA-N 0 0 577.559 4.847 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000100158205 554233487 /nfs/dbraw/zinc/23/34/87/554233487.db2.gz CDGATFOVDDZBPE-LQGLAIQGSA-N 0 0 544.554 4.712 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000100158209 554233496 /nfs/dbraw/zinc/23/34/96/554233496.db2.gz CDGATFOVDDZBPE-NGXZDTIWSA-N 0 0 544.554 4.712 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000100158215 554233475 /nfs/dbraw/zinc/23/34/75/554233475.db2.gz FRHZHFPBLPGINC-TUSQITKMSA-N 0 0 544.554 4.712 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000100158220 554233479 /nfs/dbraw/zinc/23/34/79/554233479.db2.gz FRHZHFPBLPGINC-ZODMCCGTSA-N 0 0 544.554 4.712 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000100158228 554233491 /nfs/dbraw/zinc/23/34/91/554233491.db2.gz URZFWLJSHIHEOM-TUSQITKMSA-N 0 0 544.554 4.712 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000100158232 554233522 /nfs/dbraw/zinc/23/35/22/554233522.db2.gz URZFWLJSHIHEOM-ZODMCCGTSA-N 0 0 544.554 4.712 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(O)c(OC)c2)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100159314 554233772 /nfs/dbraw/zinc/23/37/72/554233772.db2.gz HIYTUUIHZPPPLD-CQLNOVPUSA-N 0 0 539.650 4.956 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(O)c(OC)c2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100159322 554233790 /nfs/dbraw/zinc/23/37/90/554233790.db2.gz HIYTUUIHZPPPLD-DPSWKAHMSA-N 0 0 539.650 4.956 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100159687 554234071 /nfs/dbraw/zinc/23/40/71/554234071.db2.gz MRJUBFYUXAOKTG-OYDLWJJNSA-N 0 0 561.635 4.809 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100159694 554234046 /nfs/dbraw/zinc/23/40/46/554234046.db2.gz MRJUBFYUXAOKTG-QDSKXPNFSA-N 0 0 561.635 4.809 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)CC2)[C@@H]1c1ccc(F)cc1 ZINC000100159890 554234434 /nfs/dbraw/zinc/23/44/34/554234434.db2.gz PRNNFMKYIKMMKJ-CTNGQTDRSA-N 0 0 546.517 4.978 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@@H](C(=O)OCC)CC2)[C@@H]1c1ccc(F)cc1 ZINC000100159894 554234372 /nfs/dbraw/zinc/23/43/72/554234372.db2.gz PRNNFMKYIKMMKJ-FPOVZHCZSA-N 0 0 546.517 4.978 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)CC2)[C@H]1c1ccc(F)cc1 ZINC000100159896 554234409 /nfs/dbraw/zinc/23/44/09/554234409.db2.gz PRNNFMKYIKMMKJ-TZIWHRDSSA-N 0 0 546.517 4.978 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@@H](C(=O)OCC)CC2)[C@H]1c1ccc(F)cc1 ZINC000100159899 554234362 /nfs/dbraw/zinc/23/43/62/554234362.db2.gz PRNNFMKYIKMMKJ-PZJWPPBQSA-N 0 0 546.517 4.978 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000100159944 554234398 /nfs/dbraw/zinc/23/43/98/554234398.db2.gz ZHIKKBHJHWLPKW-APTRMMRNSA-N 0 0 532.593 4.634 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000100159949 554234375 /nfs/dbraw/zinc/23/43/75/554234375.db2.gz ZHIKKBHJHWLPKW-UCFCWBNQSA-N 0 0 532.593 4.634 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100160275 554234444 /nfs/dbraw/zinc/23/44/44/554234444.db2.gz LACOWOPSHRCENE-CQLNOVPUSA-N 0 0 537.634 4.971 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100160278 554234476 /nfs/dbraw/zinc/23/44/76/554234476.db2.gz LACOWOPSHRCENE-DPSWKAHMSA-N 0 0 537.634 4.971 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000100160709 554234918 /nfs/dbraw/zinc/23/49/18/554234918.db2.gz WIVHDWYIXSYMES-ICTDUYRTSA-N 0 0 585.632 4.757 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000100161069 554234979 /nfs/dbraw/zinc/23/49/79/554234979.db2.gz VAYXKSDLAIVAHM-STXQHDJLSA-N 0 0 585.632 4.757 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100161075 554234955 /nfs/dbraw/zinc/23/49/55/554234955.db2.gz PJPLXPMSFFGWMV-MZBJOSPHSA-N 0 0 555.606 4.748 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100161078 554234965 /nfs/dbraw/zinc/23/49/65/554234965.db2.gz PJPLXPMSFFGWMV-NYMACZPPSA-N 0 0 555.606 4.748 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100171881 554238277 /nfs/dbraw/zinc/23/82/77/554238277.db2.gz NHHJQWSBYPECPF-OYDLWJJNSA-N 0 0 543.645 4.670 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100171884 554238410 /nfs/dbraw/zinc/23/84/10/554238410.db2.gz NHHJQWSBYPECPF-QDSKXPNFSA-N 0 0 543.645 4.670 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100172136 554238803 /nfs/dbraw/zinc/23/88/03/554238803.db2.gz YIVMRIZADFHHHX-OYDLWJJNSA-N 0 0 561.635 4.809 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100172139 554238824 /nfs/dbraw/zinc/23/88/24/554238824.db2.gz YIVMRIZADFHHHX-QDSKXPNFSA-N 0 0 561.635 4.809 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100173574 554239602 /nfs/dbraw/zinc/23/96/02/554239602.db2.gz KMDBGTVUTBBXCC-OPXMRZJTSA-N 0 0 602.669 4.887 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100173577 554239629 /nfs/dbraw/zinc/23/96/29/554239629.db2.gz KMDBGTVUTBBXCC-YNJKOYDBSA-N 0 0 602.669 4.887 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccsc1 ZINC000100173672 554239815 /nfs/dbraw/zinc/23/98/15/554239815.db2.gz OFSDVRCUTGJGQG-PMVMPFDFSA-N 0 0 532.593 4.634 40 30 KJEBRN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccsc1 ZINC000100173679 554239804 /nfs/dbraw/zinc/23/98/04/554239804.db2.gz OFSDVRCUTGJGQG-PUHATCMVSA-N 0 0 532.593 4.634 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2C)C2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100174256 554239879 /nfs/dbraw/zinc/23/98/79/554239879.db2.gz VQAXEJIQHVFPNY-OPXMRZJTSA-N 0 0 602.669 4.887 40 30 KJEBRN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2C)C2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100174260 554239849 /nfs/dbraw/zinc/23/98/49/554239849.db2.gz VQAXEJIQHVFPNY-YNJKOYDBSA-N 0 0 602.669 4.887 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000100179053 554241467 /nfs/dbraw/zinc/24/14/67/554241467.db2.gz CYAOFIASOHSVFH-OWSXEPHWSA-N 0 0 532.593 4.634 40 30 KJEBRN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000100179062 554241444 /nfs/dbraw/zinc/24/14/44/554241444.db2.gz CYAOFIASOHSVFH-UWSIMGETSA-N 0 0 532.593 4.634 40 30 KJEBRN CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 ZINC000100180338 554241653 /nfs/dbraw/zinc/24/16/53/554241653.db2.gz LEZAYQZMMWKCHU-PCLIKHOPSA-N 0 0 561.646 4.644 40 30 KJEBRN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N(C)C)c2)C1 ZINC000100187189 554243019 /nfs/dbraw/zinc/24/30/19/554243019.db2.gz ZKPYAUHQYKIHBS-WSEOLZFASA-N 0 0 598.770 4.671 40 30 KJEBRN CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N(C)C)c2)C1 ZINC000100187196 554243399 /nfs/dbraw/zinc/24/33/99/554243399.db2.gz ZKPYAUHQYKIHBS-HZVFOSPQSA-N 0 0 598.770 4.671 40 30 KJEBRN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/n2c(C)nnc2SCc2ccccc2)C1 ZINC000100187250 554243385 /nfs/dbraw/zinc/24/33/85/554243385.db2.gz SEZAMTQGAVAMKG-LWKXQZBCSA-N 0 0 535.674 4.754 40 30 KJEBRN CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/n2c(C)nnc2SCc2ccccc2)C1 ZINC000100187254 554243350 /nfs/dbraw/zinc/24/33/50/554243350.db2.gz SEZAMTQGAVAMKG-YGYFLSRZSA-N 0 0 535.674 4.754 40 30 KJEBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)SC1=S ZINC000100198592 554246412 /nfs/dbraw/zinc/24/64/12/554246412.db2.gz QGRDMDJOQVZTQG-ZDLGFXPLSA-N 0 0 536.416 4.972 40 30 KJEBRN CCOC(=O)C(N=Nc1ccc(Br)cc1)C1=NC(=O)C(=NNc2ccc(Br)cc2)S1 ZINC000100206315 554248034 /nfs/dbraw/zinc/24/80/34/554248034.db2.gz JQVCOIDNBWWQEW-KCBAMCFZSA-N 0 0 553.236 4.640 40 30 KJEBRN CCOC(=O)Cc1ccc(/N=C/c2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)cc1 ZINC000100218500 554251441 /nfs/dbraw/zinc/25/14/41/554251441.db2.gz KWUZTOMUAWKRCZ-UXHLAJHPSA-N 0 0 530.581 4.502 40 30 KJEBRN CCOC(=O)Cc1ccc(/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3C)c([N+](=O)[O-])c2)cc1 ZINC000100218511 554251477 /nfs/dbraw/zinc/25/14/77/554251477.db2.gz SDNSBLFANICDDY-JVWAILMASA-N 0 0 502.552 4.849 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC)c5ccccc45)c(=O)n32)cc1 ZINC000100221574 554251798 /nfs/dbraw/zinc/25/17/98/554251798.db2.gz HLCRQRMFDSSSSN-ZIRCPPMYSA-N 0 0 554.668 4.915 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC)c5ccccc45)c(=O)n32)cc1 ZINC000100221578 554251755 /nfs/dbraw/zinc/25/17/55/554251755.db2.gz HLCRQRMFDSSSSN-CVXGXVHTSA-N 0 0 554.668 4.915 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5)cc4)c(=O)n32)cc1 ZINC000100224280 554252438 /nfs/dbraw/zinc/25/24/38/554252438.db2.gz KIZHUYGYPZHWQW-UXCHMGEPSA-N 0 0 566.679 4.942 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5)cc4)c(=O)n32)cc1 ZINC000100224285 554252369 /nfs/dbraw/zinc/25/23/69/554252369.db2.gz KIZHUYGYPZHWQW-ZJZHBOIVSA-N 0 0 566.679 4.942 40 30 KJEBRN C=C(C)COc1c(I)cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OCC ZINC000100225620 554252974 /nfs/dbraw/zinc/25/29/74/554252974.db2.gz QRNKNFUVATUPNB-ZDLGFXPLSA-N 0 0 534.306 4.898 40 30 KJEBRN CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(I)c1OCC ZINC000100225917 554253321 /nfs/dbraw/zinc/25/33/21/554253321.db2.gz LJBIKLNANVSRBE-ZVHZXABRSA-N 0 0 505.356 4.637 40 30 KJEBRN CCCCCCCc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(OC)cc2OC)cc1 ZINC000100245183 554261290 /nfs/dbraw/zinc/26/12/90/554261290.db2.gz QMIJAALMNVLTIJ-UHFFFAOYSA-N 0 0 529.641 4.873 40 30 KJEBRN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(OC)c(O)c(Br)c3Br)S2)cc1 ZINC000100253131 554263524 /nfs/dbraw/zinc/26/35/24/554263524.db2.gz MMAKIWMEJUOKOS-MDWZMJQESA-N 0 0 514.195 4.826 40 30 KJEBRN COc1ccc(/N=C2\S/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000100253498 554263791 /nfs/dbraw/zinc/26/37/91/554263791.db2.gz BMHCTRKOLWHFJX-WZDACRMJSA-N 0 0 526.618 4.887 40 30 KJEBRN CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000100257813 554264949 /nfs/dbraw/zinc/26/49/49/554264949.db2.gz PHLOWGTVTDXPCZ-CVKSISIWSA-N 0 0 552.594 4.899 40 30 KJEBRN CN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 ZINC000100258572 554264944 /nfs/dbraw/zinc/26/49/44/554264944.db2.gz ZLQNPXPEKIRGGH-WGOQTCKBSA-N 0 0 573.657 4.787 40 30 KJEBRN Cc1c(/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3C)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000100271071 554269688 /nfs/dbraw/zinc/26/96/88/554269688.db2.gz BNBVKLHWTYJKHE-LQKURTRISA-N 0 0 526.578 4.541 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=NNc2cc(N(C)C)nc(C(C)C)n2)cc1 ZINC000100271676 554269981 /nfs/dbraw/zinc/26/99/81/554269981.db2.gz YPJHNQWOCHHRSH-AFUMVMLFSA-N 0 0 532.464 4.951 40 30 KJEBRN CCC(COS(=O)(=O)c1ccc(C)cc1)(COS(=O)(=O)c1ccc(C)cc1)COS(=O)(=O)c1ccc(C)cc1 ZINC000100272920 554270623 /nfs/dbraw/zinc/27/06/23/554270623.db2.gz ONBDFMBZWWQABM-UHFFFAOYSA-N 0 0 596.745 4.525 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)C1=O ZINC000100274808 554271027 /nfs/dbraw/zinc/27/10/27/554271027.db2.gz RJHIBVZCIQQXAK-UQQQWYQISA-N 0 0 512.562 4.898 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)C1=O ZINC000100274909 554271303 /nfs/dbraw/zinc/27/13/03/554271303.db2.gz PLWQHOYNCYWLLN-ONUIUJJFSA-N 0 0 512.562 4.898 40 30 KJEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)C1=O ZINC000100274949 554271591 /nfs/dbraw/zinc/27/15/91/554271591.db2.gz HGQFDBPWUXQUTN-PKAZHMFMSA-N 0 0 510.590 4.876 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2ccc(OCC(=O)NCc3ccco3)cc2)C1=O ZINC000100274975 554271661 /nfs/dbraw/zinc/27/16/61/554271661.db2.gz LBRIAZWHBFKFAP-UCQKPKSFSA-N 0 0 551.393 4.615 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)C1=O ZINC000100275023 554271604 /nfs/dbraw/zinc/27/16/04/554271604.db2.gz HOSCQHDURIYAEB-USHMODERSA-N 0 0 524.617 4.918 40 30 KJEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)C1=O ZINC000100275027 554271642 /nfs/dbraw/zinc/27/16/42/554271642.db2.gz NEFQQMLJWXGMCZ-USHMODERSA-N 0 0 524.617 4.918 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)C1=O ZINC000100275038 554271606 /nfs/dbraw/zinc/27/16/06/554271606.db2.gz FURLUEMZACTREG-DIBXZPPDSA-N 0 0 510.590 4.610 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)cc(I)c1O ZINC000100275658 554272172 /nfs/dbraw/zinc/27/21/72/554272172.db2.gz ZJQZMZSUMDGAOL-CEOOYPSPSA-N 0 0 524.380 4.646 40 30 KJEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000100283720 554277173 /nfs/dbraw/zinc/27/71/73/554277173.db2.gz SNDQSRQUKYMOFF-WCYRKSIYSA-N 0 0 564.638 4.705 40 30 KJEBRN CCOc1cc(CN=Nc2ncc(F)c(NC)n2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100297159 554288784 /nfs/dbraw/zinc/28/87/84/554288784.db2.gz NBURCJUYOKMQJB-KALUYTGESA-N 0 0 566.331 4.594 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N[C@@H]3SC(=Cc4ccc(OCC(=O)OC)c(OCC)c4)C(=O)N32)cc1OC ZINC000100304142 554292559 /nfs/dbraw/zinc/29/25/59/554292559.db2.gz QPCUUDXEWVDBSY-WKYVEISSSA-N 0 0 624.712 4.592 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N[C@@H]3SC(=Cc4ccc(OCC(=O)OC)c(OCC)c4)C(=O)N32)cc1OC ZINC000100304147 554292505 /nfs/dbraw/zinc/29/25/05/554292505.db2.gz QPCUUDXEWVDBSY-ZFFFHTNRSA-N 0 0 624.712 4.592 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N[C@H]3SC(=Cc4ccc(OCC(=O)OC)c(OCC)c4)C(=O)N32)cc1OC ZINC000100304150 554292557 /nfs/dbraw/zinc/29/25/57/554292557.db2.gz QPCUUDXEWVDBSY-WKWKWVNISA-N 0 0 624.712 4.592 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N[C@H]3SC(=Cc4ccc(OCC(=O)OC)c(OCC)c4)C(=O)N32)cc1OC ZINC000100304154 554292563 /nfs/dbraw/zinc/29/25/63/554292563.db2.gz QPCUUDXEWVDBSY-MYTWYFJYSA-N 0 0 624.712 4.592 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5C#N)cc4)c(=O)n32)cc1 ZINC000100305066 554293317 /nfs/dbraw/zinc/29/33/17/554293317.db2.gz MCFZEDGFNQZGQU-WOSHRIRTSA-N 0 0 591.689 4.814 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5C#N)cc4)c(=O)n32)cc1 ZINC000100305070 554293305 /nfs/dbraw/zinc/29/33/05/554293305.db2.gz MCFZEDGFNQZGQU-HVDVVURSSA-N 0 0 591.689 4.814 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000100305628 554293626 /nfs/dbraw/zinc/29/36/26/554293626.db2.gz RSDGVRBUMLEOND-HDFSHUSISA-N 0 0 592.714 4.559 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000100305630 554293630 /nfs/dbraw/zinc/29/36/30/554293630.db2.gz RSDGVRBUMLEOND-LAUBZIAYSA-N 0 0 592.714 4.559 40 30 KJEBRN Oc1c(I)cc(I)cc1CN=Nc1c(F)c(F)c(F)c(F)c1F ZINC000100305844 554294066 /nfs/dbraw/zinc/29/40/66/554294066.db2.gz LYXVYXYNVDFPNL-WSVFEZOKSA-N 0 0 553.994 4.743 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Br)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000100307384 554295804 /nfs/dbraw/zinc/29/58/04/554295804.db2.gz LVGZQGHETFEKNI-LJJBLSSYSA-N 0 0 618.347 4.888 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Br)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000100307390 554295793 /nfs/dbraw/zinc/29/57/93/554295793.db2.gz LVGZQGHETFEKNI-CVGPFBNFSA-N 0 0 618.347 4.888 40 30 KJEBRN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1F ZINC000100312021 554301257 /nfs/dbraw/zinc/30/12/57/554301257.db2.gz XUNKAWSDGCGBJE-UXHLAJHPSA-N 0 0 529.576 4.625 40 30 KJEBRN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccc(F)cc1 ZINC000100313322 554301795 /nfs/dbraw/zinc/30/17/95/554301795.db2.gz HQJHNHHDDVDLLB-UXHLAJHPSA-N 0 0 529.576 4.625 40 30 KJEBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/S/C(=N\c2ccccc2)N(CCCN2CCOCC2)C1=O ZINC000100324774 554308780 /nfs/dbraw/zinc/30/87/80/554308780.db2.gz XXSRUQSJYMATOX-GFYHBDFCSA-N 0 0 536.698 4.630 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OC ZINC000100328857 554311005 /nfs/dbraw/zinc/31/10/05/554311005.db2.gz WXRRTGRPAKMFSE-LICLKQGHSA-N 0 0 569.193 4.720 40 30 KJEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000100331294 554314072 /nfs/dbraw/zinc/31/40/72/554314072.db2.gz MINMLRBHTLNILP-OCVQTKHNSA-N 0 0 558.660 4.783 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)ON1C(=O)CCC1=O ZINC000100362580 554346562 /nfs/dbraw/zinc/34/65/62/554346562.db2.gz PASVTJVCXVFPSP-FQEVSTJZSA-N 0 0 537.396 4.615 40 30 KJEBRN Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)c2cccc(Cl)c2)cc1 ZINC000100365296 554351158 /nfs/dbraw/zinc/35/11/58/554351158.db2.gz KQSJHGGFMUGOIW-UHFFFAOYSA-N 0 0 524.060 4.574 40 30 KJEBRN COc1cc(C=NN2C(=O)CSC2=S)cc(I)c1OCc1ccc(Cl)cc1 ZINC000100378310 554361307 /nfs/dbraw/zinc/36/13/07/554361307.db2.gz NCOCQWDHXDQOJQ-ODCIPOBUSA-N 0 0 532.812 4.726 40 30 KJEBRN Fc1ccccc1COc1ccc(Br)cc1CN=Nc1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000100410524 554375310 /nfs/dbraw/zinc/37/53/10/554375310.db2.gz AAQNHDVURVCRJY-LQKURTRISA-N 0 0 540.441 4.999 40 30 KJEBRN Fc1ccccc1COc1ccc(Br)cc1CN=Nc1nc(N2CCCCC2)nc(N2CCOCC2)n1 ZINC000100410541 554375216 /nfs/dbraw/zinc/37/52/16/554375216.db2.gz KMJWYIKUQYPJKJ-STBIYBPSSA-N 0 0 570.467 4.625 40 30 KJEBRN Fc1ccc(COc2ccc(Br)cc2CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000100415467 554381603 /nfs/dbraw/zinc/38/16/03/554381603.db2.gz YRBQZTMKZUZIOA-LQKURTRISA-N 0 0 540.441 4.999 40 30 KJEBRN Fc1ccc(COc2ccc(Br)cc2CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 ZINC000100415486 554381487 /nfs/dbraw/zinc/38/14/87/554381487.db2.gz UVJSQTZVEUPVKG-STBIYBPSSA-N 0 0 570.467 4.625 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/N=C(c3ccccc3)OC2=O)cc1I ZINC000100418890 554385472 /nfs/dbraw/zinc/38/54/72/554385472.db2.gz NFZHVLVSUDQBQP-LFIBNONCSA-N 0 0 557.125 4.805 40 30 KJEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCOCC3)c2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000100473146 554399811 /nfs/dbraw/zinc/39/98/11/554399811.db2.gz BALKDNZONNZQDI-YQCHCMBFSA-N 0 0 632.787 4.679 40 30 KJEBRN O=[N+]([O-])c1ccc(N2CCCCCC2)c(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000100475826 554400913 /nfs/dbraw/zinc/40/09/13/554400913.db2.gz VQMBMWPNLOCGDD-QUPMIFSKSA-N 0 0 555.701 4.737 40 30 KJEBRN O=[N+]([O-])c1ccc(N2CCN(c3ccc(/C=N/n4cnnc4SCc4ccccc4)cc3[N+](=O)[O-])CC2)cc1 ZINC000100478064 554401119 /nfs/dbraw/zinc/40/11/19/554401119.db2.gz NPFNOZWRBPDHHD-OGLMXYFKSA-N 0 0 544.597 4.596 40 30 KJEBRN C=CCN1C(=O)/C(=c2/s/c(=C(\C=C3/Sc4cc(OC)ccc4N3CC)c3ccccc3)c(=O)n2CC)SC1=S ZINC000100497572 554404857 /nfs/dbraw/zinc/40/48/57/554404857.db2.gz OBLUOAPTDPNCLM-CZBRXPSQSA-N 0 0 593.821 4.765 40 30 KJEBRN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3nc(Nc4ccc(F)cc4)[nH]c(N4CCOCC4)n3)o2)c(Cl)c1 ZINC000100502243 554405978 /nfs/dbraw/zinc/40/59/78/554405978.db2.gz MBODMCXXVMONRP-MZJWZYIUSA-N 0 0 538.927 4.859 40 30 KJEBRN O=[N+]([O-])c1cc(-c2ccc(CN=Nc3nc(Nc4ccc(F)cc4)nc(N4CCOCC4)n3)o2)ccc1Cl ZINC000100502267 554406019 /nfs/dbraw/zinc/40/60/19/554406019.db2.gz KIGNSENUUAZZNJ-MZJWZYIUSA-N 0 0 538.927 4.859 40 30 KJEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NN=c3nc(Nc4ccc(F)cc4)[nH]c(N4CCOCC4)n3)o2)c1 ZINC000100502272 554405987 /nfs/dbraw/zinc/40/59/87/554405987.db2.gz FKMPSDXUNYIKSJ-MZJWZYIUSA-N 0 0 538.927 4.859 40 30 KJEBRN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]3OC(=O)[C@H](C)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@@H]2[C@@H]1OC(=O)CCCCCCC ZINC000100504667 554407619 /nfs/dbraw/zinc/40/76/19/554407619.db2.gz JGHHBSWUDDWFLZ-MJMBMAGFSA-N 0 0 634.763 4.813 40 30 KJEBRN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]3OC(=O)[C@H](C)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@@H]2[C@H]1OC(=O)CCCCCCC ZINC000100504669 554407522 /nfs/dbraw/zinc/40/75/22/554407522.db2.gz JGHHBSWUDDWFLZ-VEEUJZTASA-N 0 0 634.763 4.813 40 30 KJEBRN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]3OC(=O)[C@H](C)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000100504670 554407529 /nfs/dbraw/zinc/40/75/29/554407529.db2.gz JGHHBSWUDDWFLZ-YQDDJVQDSA-N 0 0 634.763 4.813 40 30 KJEBRN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]3OC(=O)[C@H](C)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@H]1OC(=O)CCCCCCC ZINC000100504672 554407508 /nfs/dbraw/zinc/40/75/08/554407508.db2.gz JGHHBSWUDDWFLZ-ZWZRIOFDSA-N 0 0 634.763 4.813 40 30 KJEBRN N#Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000100521170 554409248 /nfs/dbraw/zinc/40/92/48/554409248.db2.gz HRNIWRXHMULBMC-JUJAOGAQSA-N 0 0 534.207 4.968 40 30 KJEBRN Nn1cnnc1N=NCc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100526304 554410171 /nfs/dbraw/zinc/41/01/71/554410171.db2.gz LCXQYPHIFJWUTA-GEVRCRHISA-N 0 0 535.027 4.849 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100581428 554425011 /nfs/dbraw/zinc/42/50/11/554425011.db2.gz NNENFMBXJVACAD-NFQMXDRXSA-N 0 0 536.581 4.553 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100581430 554425079 /nfs/dbraw/zinc/42/50/79/554425079.db2.gz NNENFMBXJVACAD-HRFSGMKKSA-N 0 0 536.581 4.553 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100581433 554425048 /nfs/dbraw/zinc/42/50/48/554425048.db2.gz NNENFMBXJVACAD-CCLHPLFOSA-N 0 0 536.581 4.553 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100581435 554425013 /nfs/dbraw/zinc/42/50/13/554425013.db2.gz NNENFMBXJVACAD-DCFHFQCYSA-N 0 0 536.581 4.553 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100581467 554425072 /nfs/dbraw/zinc/42/50/72/554425072.db2.gz PNRPOMWLOQAZCO-NFQMXDRXSA-N 0 0 536.581 4.553 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100581469 554425061 /nfs/dbraw/zinc/42/50/61/554425061.db2.gz PNRPOMWLOQAZCO-HRFSGMKKSA-N 0 0 536.581 4.553 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100581472 554425033 /nfs/dbraw/zinc/42/50/33/554425033.db2.gz PNRPOMWLOQAZCO-CCLHPLFOSA-N 0 0 536.581 4.553 40 30 KJEBRN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100581474 554425035 /nfs/dbraw/zinc/42/50/35/554425035.db2.gz PNRPOMWLOQAZCO-DCFHFQCYSA-N 0 0 536.581 4.553 40 30 KJEBRN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000100588153 554427693 /nfs/dbraw/zinc/42/76/93/554427693.db2.gz JQWBETWHAMQAMB-QLXKLKPCSA-N 0 0 556.999 4.817 40 30 KJEBRN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000100588155 554427612 /nfs/dbraw/zinc/42/76/12/554427612.db2.gz JQWBETWHAMQAMB-MRDQGFSESA-N 0 0 556.999 4.817 40 30 KJEBRN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000100588157 554427709 /nfs/dbraw/zinc/42/77/09/554427709.db2.gz JQWBETWHAMQAMB-QUGAMOGWSA-N 0 0 556.999 4.817 40 30 KJEBRN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000100588161 554427659 /nfs/dbraw/zinc/42/76/59/554427659.db2.gz JQWBETWHAMQAMB-WGDIFIGCSA-N 0 0 556.999 4.817 40 30 KJEBRN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100588194 554427705 /nfs/dbraw/zinc/42/77/05/554427705.db2.gz GISPTWUKSWFRMN-QYBDOPJKSA-N 0 0 556.999 4.817 40 30 KJEBRN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100588197 554427593 /nfs/dbraw/zinc/42/75/93/554427593.db2.gz GISPTWUKSWFRMN-HFJWLAOPSA-N 0 0 556.999 4.817 40 30 KJEBRN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100588200 554427676 /nfs/dbraw/zinc/42/76/76/554427676.db2.gz GISPTWUKSWFRMN-DWXRJYCRSA-N 0 0 556.999 4.817 40 30 KJEBRN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100588202 554427701 /nfs/dbraw/zinc/42/77/01/554427701.db2.gz GISPTWUKSWFRMN-WXTAPIANSA-N 0 0 556.999 4.817 40 30 KJEBRN COc1ccc(/C=C2\CC(C)C/C(=C/c3ccc(OC)c(CN4CCOCC4)c3)C2=O)cc1CN1CCOCC1 ZINC000100720333 554455189 /nfs/dbraw/zinc/45/51/89/554455189.db2.gz YLYLEEIAFALBAA-ZBPHXBQNSA-N 0 0 546.708 4.834 40 30 KJEBRN COc1cc(/C=N/N2C(=O)/C(=C/c3ccc(O)c(OC)c3)S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O ZINC000100847771 554491504 /nfs/dbraw/zinc/49/15/04/554491504.db2.gz VMQYXKKMIGZLCN-IOTBELMPSA-N 0 0 585.642 4.551 40 30 KJEBRN COc1ccc(/C=C2/S/C(=N\C(=O)c3ccccc3)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000100848584 554491825 /nfs/dbraw/zinc/49/18/25/554491825.db2.gz YGDFZNPHXYOMBD-QNOJPCQXSA-N 0 0 524.602 4.810 40 30 KJEBRN Cc1c(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)S/C2=N\C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000100849765 554492322 /nfs/dbraw/zinc/49/23/22/554492322.db2.gz OIKOIGVGVXSUSB-GNVJFGQISA-N 0 0 618.513 4.921 40 30 KJEBRN Cc1c(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)S/C2=N\C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000100849766 554492318 /nfs/dbraw/zinc/49/23/18/554492318.db2.gz OIKOIGVGVXSUSB-BAXIMVHXSA-N 0 0 618.513 4.921 40 30 KJEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N/c1nc2c(s1)CCCC2 ZINC000100849900 554492573 /nfs/dbraw/zinc/49/25/73/554492573.db2.gz HOUVCOKGURKNJO-UFGLDMCJSA-N 0 0 505.463 4.931 40 30 KJEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N/c1nc2c(s1)CCCC2 ZINC000100849902 554492554 /nfs/dbraw/zinc/49/25/54/554492554.db2.gz HOUVCOKGURKNJO-SZTNPAGBSA-N 0 0 505.463 4.931 40 30 KJEBRN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000100870310 554497773 /nfs/dbraw/zinc/49/77/73/554497773.db2.gz ASMMUSSCCZYEHY-OIHNEICTSA-N 0 0 537.441 4.546 40 30 KJEBRN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000100870311 554497817 /nfs/dbraw/zinc/49/78/17/554497817.db2.gz ASMMUSSCCZYEHY-HUBZVCNYSA-N 0 0 537.441 4.546 40 30 KJEBRN C=CCOc1ccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccccc3Cl)n(-c3ccccc3C)c2=O)cc1 ZINC000100879062 554506110 /nfs/dbraw/zinc/50/61/10/554506110.db2.gz YBCMGISWRHLOAB-WBCCUVSCSA-N 0 0 528.033 4.567 40 30 KJEBRN COCCCN1C(=O)/C(=C/C=C2/N(C)c3ccccc3C2(C)C)S/C1=N/S(=O)(=O)c1ccccc1 ZINC000100913120 554518809 /nfs/dbraw/zinc/51/88/09/554518809.db2.gz ICZAMUYMPBXEQG-XUTVGFEOSA-N 0 0 511.669 4.539 40 30 KJEBRN Cc1ccc(S(=O)(=O)/N=C2\SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000100918739 554520523 /nfs/dbraw/zinc/52/05/23/554520523.db2.gz BJZYWGUZJBBBPT-AQTDBHCXSA-N 0 0 514.028 4.871 40 30 KJEBRN Cc1ccc(S(=O)(=O)/N=C2\SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000100918743 554520516 /nfs/dbraw/zinc/52/05/16/554520516.db2.gz BJZYWGUZJBBBPT-LQUAGZSJSA-N 0 0 514.028 4.871 40 30 KJEBRN CCOc1c(I)cc(I)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000100924095 554523148 /nfs/dbraw/zinc/52/31/48/554523148.db2.gz WFHQVMBJXFPCCJ-FSJBWODESA-N 0 0 587.199 4.843 40 30 KJEBRN CCCCC(=N\NS(=O)(=O)c1ccc(C)cc1)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000100924656 554523466 /nfs/dbraw/zinc/52/34/66/554523466.db2.gz OIYFYIAOIWEBRM-MPCWFZQZSA-N 0 0 526.684 4.511 40 30 KJEBRN COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000100925415 554523689 /nfs/dbraw/zinc/52/36/89/554523689.db2.gz MKFHJMUQCFRTKK-VUTHCHCSSA-N 0 0 546.632 4.794 40 30 KJEBRN N#C/C(C(=O)NCc1ccccc1)=c1/s/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n1-c1ccccc1 ZINC000100925578 554523979 /nfs/dbraw/zinc/52/39/79/554523979.db2.gz VTEYLVKTSTVZFX-RDXJAXKBSA-N 0 0 571.580 4.997 40 30 KJEBRN COc1ccc(C(C)=NN=C(NN=C(C)c2ccc(OC)cc2)NN=C(C)c2ccc(OC)cc2)cc1 ZINC000100930561 554526826 /nfs/dbraw/zinc/52/68/26/554526826.db2.gz JVRGSZCTAUKMAN-PTMFSNENSA-N 0 0 500.603 4.820 40 30 KJEBRN CCOc1ccc(C=NN=C(NN=Cc2ccc(OCC)cc2)NN=Cc2ccc(OCC)cc2)cc1 ZINC000100930568 554526842 /nfs/dbraw/zinc/52/68/42/554526842.db2.gz HQMHYINJBTUUNN-PTMFSNENSA-N 0 0 500.603 4.820 40 30 KJEBRN CC(=NN=C(NN=C(C)c1ccc([N+](=O)[O-])cc1)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000100930583 554527174 /nfs/dbraw/zinc/52/71/74/554527174.db2.gz HAAAMTMADFIMMH-WNGWPGNBSA-N 0 0 545.516 4.519 40 30 KJEBRN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNCCNC=c1c(C)c(C#N)c2nc3ccccc3n2c1=O ZINC000100930866 554527284 /nfs/dbraw/zinc/52/72/84/554527284.db2.gz SSOFPVOMUFCRFZ-VDIQSLMDSA-N 0 0 526.560 4.598 40 30 KJEBRN COc1cc(Br)c(Br)c(/C=N/c2ccc(I)cn2)c1O ZINC000100933708 554528291 /nfs/dbraw/zinc/52/82/91/554528291.db2.gz BSUFQDKAXGABQU-NGYBGAFCSA-N 0 0 511.939 4.676 40 30 KJEBRN CCOc1cc(CN=Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)c(Br)cc1OC(C)=O ZINC000100957355 554540228 /nfs/dbraw/zinc/54/02/28/554540228.db2.gz IABNCSQNTIATCH-MZJWZYIUSA-N 0 0 590.866 4.638 40 30 KJEBRN C=CCOc1c(I)cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1I ZINC000100958336 554541332 /nfs/dbraw/zinc/54/13/32/554541332.db2.gz AGGHWDVMJHUBLS-UHFFFAOYSA-N 0 0 582.172 4.706 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000100961119 554542158 /nfs/dbraw/zinc/54/21/58/554542158.db2.gz DIBYDEYCIAZHAO-ZRGSRPPYSA-N 0 0 575.363 4.765 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000100961623 554542448 /nfs/dbraw/zinc/54/24/48/554542448.db2.gz YDGGYSHWRNUNFB-UHFFFAOYSA-N 0 0 564.693 4.574 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000100961632 554542522 /nfs/dbraw/zinc/54/25/22/554542522.db2.gz ZONZGTQYYKETCE-UHFFFAOYSA-N 0 0 564.693 4.574 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100972718 554544517 /nfs/dbraw/zinc/54/45/17/554544517.db2.gz DWEPGMFXQXXJGS-LGADCTONSA-N 0 0 517.991 4.701 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100972722 554544437 /nfs/dbraw/zinc/54/44/37/554544437.db2.gz DWEPGMFXQXXJGS-NUIVBQGBSA-N 0 0 517.991 4.701 40 30 KJEBRN C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972742 554544510 /nfs/dbraw/zinc/54/45/10/554544510.db2.gz BYGKSQSETQZKKC-ZEYSCXRRSA-N 0 0 522.471 4.666 40 30 KJEBRN CCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972819 554544667 /nfs/dbraw/zinc/54/46/67/554544667.db2.gz AHPPQESUEGHRGB-OIAJMNCSSA-N 0 0 510.460 4.500 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000100972920 554544658 /nfs/dbraw/zinc/54/46/58/554544658.db2.gz YMEIBECCMOLLIX-UAPGPWSHSA-N 0 0 544.452 4.671 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000100972922 554544685 /nfs/dbraw/zinc/54/46/85/554544685.db2.gz YMEIBECCMOLLIX-FXFSXJFASA-N 0 0 544.452 4.671 40 30 KJEBRN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(c2ccccc2)C1=O ZINC000100972926 554544705 /nfs/dbraw/zinc/54/47/05/554544705.db2.gz YDIGXHDUBHCAHS-RTGZZVAKSA-N 0 0 558.479 4.980 40 30 KJEBRN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(c2ccccc2)C1=O ZINC000100972928 554544978 /nfs/dbraw/zinc/54/49/78/554544978.db2.gz YDIGXHDUBHCAHS-BPMVYWJCSA-N 0 0 558.479 4.980 40 30 KJEBRN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 ZINC000100972929 554544989 /nfs/dbraw/zinc/54/49/89/554544989.db2.gz LWQNFIPIPACFIP-RTGZZVAKSA-N 0 0 558.479 4.980 40 30 KJEBRN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 ZINC000100972933 554545000 /nfs/dbraw/zinc/54/50/00/554545000.db2.gz LWQNFIPIPACFIP-BPMVYWJCSA-N 0 0 558.479 4.980 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000100972942 554544993 /nfs/dbraw/zinc/54/49/93/554544993.db2.gz UDKJWMLZXLWNBL-LGADCTONSA-N 0 0 562.442 4.810 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Br)cc2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000100972945 554544986 /nfs/dbraw/zinc/54/49/86/554544986.db2.gz UDKJWMLZXLWNBL-NUIVBQGBSA-N 0 0 562.442 4.810 40 30 KJEBRN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 ZINC000100972946 554544953 /nfs/dbraw/zinc/54/49/53/554544953.db2.gz PBCRFMKZPCWSSN-RTGZZVAKSA-N 0 0 574.478 4.680 40 30 KJEBRN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 ZINC000100972948 554545026 /nfs/dbraw/zinc/54/50/26/554545026.db2.gz PBCRFMKZPCWSSN-BPMVYWJCSA-N 0 0 574.478 4.680 40 30 KJEBRN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Br)cc3)N(c3ccccc3)C2=O)c1 ZINC000100972951 554544974 /nfs/dbraw/zinc/54/49/74/554544974.db2.gz XBDFSYCNXIWRCK-RTGZZVAKSA-N 0 0 574.478 4.680 40 30 KJEBRN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Br)cc3)N(c3ccccc3)C2=O)c1 ZINC000100972954 554544937 /nfs/dbraw/zinc/54/49/37/554544937.db2.gz XBDFSYCNXIWRCK-BPMVYWJCSA-N 0 0 574.478 4.680 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2cccs2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100973224 554545023 /nfs/dbraw/zinc/54/50/23/554545023.db2.gz KLWMDEDTXHMIOD-NPNYCVGBSA-N 0 0 506.030 4.624 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2cccs2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100973228 554544965 /nfs/dbraw/zinc/54/49/65/554544965.db2.gz KLWMDEDTXHMIOD-LWYOUWALSA-N 0 0 506.030 4.624 40 30 KJEBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)S/C1=N/S(=O)(=O)c1ccccc1 ZINC000100973482 554545172 /nfs/dbraw/zinc/54/51/72/554545172.db2.gz CEMOYNXAMOMCOX-LTUYXDACSA-N 0 0 508.621 4.955 40 30 KJEBRN CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)S/C1=N/S(=O)(=O)c1ccccc1 ZINC000100973484 554545157 /nfs/dbraw/zinc/54/51/57/554545157.db2.gz WACGHUSNBMFBIM-LTUYXDACSA-N 0 0 508.621 4.955 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cccc(I)c2F)S/C1=N/S(=O)(=O)c1ccc(C)cc1 ZINC000100973511 554545191 /nfs/dbraw/zinc/54/51/91/554545191.db2.gz YTEDQELMBMUDED-CWFLJIKZSA-N 0 0 542.395 4.586 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cccc(I)c2F)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000100973845 554545583 /nfs/dbraw/zinc/54/55/83/554545583.db2.gz WPGRFXCFWKNCBW-RFTHPBJJSA-N 0 0 562.813 4.931 40 30 KJEBRN CCN1C(=O)/C(=C/c2cccc(I)c2F)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000100973935 554545594 /nfs/dbraw/zinc/54/55/94/554545594.db2.gz UAYBBXBSQXKSRQ-AAFZZKJISA-N 0 0 550.802 4.765 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc3ccccc3n2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100974030 554545891 /nfs/dbraw/zinc/54/58/91/554545891.db2.gz UHEFQWMEOAJEPH-SOMGSRHFSA-N 0 0 514.426 4.845 40 30 KJEBRN CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100974115 554545863 /nfs/dbraw/zinc/54/58/63/554545863.db2.gz QLGBPENSZAWUOP-QZOVRRJPSA-N 0 0 530.263 4.893 40 30 KJEBRN CCN1C(=O)/C(=C/c2ccc3ccccc3n2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100974125 554545893 /nfs/dbraw/zinc/54/58/93/554545893.db2.gz RCOCXEMXQNRPLM-RXBBGTROSA-N 0 0 502.415 4.678 40 30 KJEBRN CCN1C(=O)/C(=C/c2cccc(I)c2F)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100974135 554545897 /nfs/dbraw/zinc/54/58/97/554545897.db2.gz LXROCQNPVPTRFE-AAFZZKJISA-N 0 0 595.253 4.874 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cccc(I)c2F)S/C1=N/S(=O)(=O)c1ccc(CC)cc1 ZINC000100974227 554546012 /nfs/dbraw/zinc/54/60/12/554546012.db2.gz DFDUCVZYJKCXTN-QACXOHACSA-N 0 0 556.422 4.840 40 30 KJEBRN CCc1ccc(S(=O)(=O)/N=C2/S/C(=C\c3cccc(I)c3F)C(=O)N2CC)cc1 ZINC000100974312 554546000 /nfs/dbraw/zinc/54/60/00/554546000.db2.gz VARRXUQOCKONDE-CWFLJIKZSA-N 0 0 544.411 4.674 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cccc(I)c2F)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000100974575 554546285 /nfs/dbraw/zinc/54/62/85/554546285.db2.gz OFOGDKVTQRSWCU-WXSUTTLZSA-N 0 0 568.842 4.992 40 30 KJEBRN COCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)S/C1=N/S(=O)(=O)c1ccccc1 ZINC000100974628 554546503 /nfs/dbraw/zinc/54/65/03/554546503.db2.gz FMLVNAGXNOJHDY-FCLXHUHZSA-N 0 0 552.674 4.972 40 30 KJEBRN COCCCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)S/C1=N/S(=O)(=O)c1ccccc1 ZINC000100974631 554546411 /nfs/dbraw/zinc/54/64/11/554546411.db2.gz UVYGCGQQVRAGNT-FCLXHUHZSA-N 0 0 552.674 4.972 40 30 KJEBRN CCCCCOc1ccc(/C=C2\S/C(=N/S(=O)(=O)c3ccccc3)N(CCCOC)C2=O)cc1OC ZINC000100974641 554546474 /nfs/dbraw/zinc/54/64/74/554546474.db2.gz KVNRGOLIIXUEDW-WZDJMGEGSA-N 0 0 532.684 4.962 40 30 KJEBRN CCCCCOc1cc(/C=C2\S/C(=N/S(=O)(=O)c3ccccc3)N(CCCOC)C2=O)ccc1OC ZINC000100974642 554546439 /nfs/dbraw/zinc/54/64/39/554546439.db2.gz XGAFFFXVBCKUSS-WZDJMGEGSA-N 0 0 532.684 4.962 40 30 KJEBRN CCOC(=O)c1ccc(N2C(=O)[C@H](c3ccccc3)S/C2=N/S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000100975254 554546741 /nfs/dbraw/zinc/54/67/41/554546741.db2.gz RRDFZHTUKCPBJR-YQMJRWHPSA-N 0 0 524.620 4.828 40 30 KJEBRN CCOC(=O)c1ccc(N2C(=O)[C@@H](c3ccccc3)S/C2=N/S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000100975259 554546748 /nfs/dbraw/zinc/54/67/48/554546748.db2.gz RRDFZHTUKCPBJR-YGKZTHBJSA-N 0 0 524.620 4.828 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000100975576 554546778 /nfs/dbraw/zinc/54/67/78/554546778.db2.gz DHGGATZIPUAVOI-WDGPBFJASA-N 0 0 524.020 4.763 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000100975579 554546827 /nfs/dbraw/zinc/54/68/27/554546827.db2.gz DHGGATZIPUAVOI-VRCPTZKISA-N 0 0 524.020 4.763 40 30 KJEBRN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)s3)N(c3ccccc3)C2=O)cc1 ZINC000100975582 554546856 /nfs/dbraw/zinc/54/68/56/554546856.db2.gz BOXAPZQVIVQUNR-RXYYWTOOSA-N 0 0 536.056 4.632 40 30 KJEBRN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)s3)N(c3ccccc3)C2=O)cc1 ZINC000100975585 554546847 /nfs/dbraw/zinc/54/68/47/554546847.db2.gz BOXAPZQVIVQUNR-WAVOGARWSA-N 0 0 536.056 4.632 40 30 KJEBRN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)s3)N(c3ccccc3)C2=O)c1 ZINC000100975589 554546805 /nfs/dbraw/zinc/54/68/05/554546805.db2.gz WNFDAAZHHXFRNR-RXYYWTOOSA-N 0 0 536.056 4.632 40 30 KJEBRN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)s3)N(c3ccccc3)C2=O)c1 ZINC000100975593 554546837 /nfs/dbraw/zinc/54/68/37/554546837.db2.gz WNFDAAZHHXFRNR-WAVOGARWSA-N 0 0 536.056 4.632 40 30 KJEBRN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)cc3)N(c3ccccc3)C2=O)c1 ZINC000100975658 554546734 /nfs/dbraw/zinc/54/67/34/554546734.db2.gz WSJMNXSFOKKPQO-RTGZZVAKSA-N 0 0 530.027 4.571 40 30 KJEBRN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)cc3)N(c3ccccc3)C2=O)c1 ZINC000100975662 554546810 /nfs/dbraw/zinc/54/68/10/554546810.db2.gz WSJMNXSFOKKPQO-BPMVYWJCSA-N 0 0 530.027 4.571 40 30 KJEBRN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 ZINC000100975665 554546816 /nfs/dbraw/zinc/54/68/16/554546816.db2.gz PTJBLSZHQZMTBY-RTGZZVAKSA-N 0 0 530.027 4.571 40 30 KJEBRN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 ZINC000100975669 554546752 /nfs/dbraw/zinc/54/67/52/554546752.db2.gz PTJBLSZHQZMTBY-BPMVYWJCSA-N 0 0 530.027 4.571 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000100975673 554546772 /nfs/dbraw/zinc/54/67/72/554546772.db2.gz UUJIAWLCIMHHPY-LGADCTONSA-N 0 0 517.991 4.701 40 30 KJEBRN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000100975677 554546720 /nfs/dbraw/zinc/54/67/20/554546720.db2.gz UUJIAWLCIMHHPY-NUIVBQGBSA-N 0 0 517.991 4.701 40 30 KJEBRN N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n1-c1ccccc1 ZINC000100988744 554549409 /nfs/dbraw/zinc/54/94/09/554549409.db2.gz GQAIFDVZEYVSTE-HUURIUIHSA-N 0 0 562.434 4.878 40 30 KJEBRN N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000100988746 554549394 /nfs/dbraw/zinc/54/93/94/554549394.db2.gz TYNMBPAIPAKAMV-BPFRQSLQSA-N 0 0 562.434 4.878 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1OC ZINC000100992529 554550287 /nfs/dbraw/zinc/55/02/87/554550287.db2.gz NSVAFZJFECBDDN-CIAFOILYSA-N 0 0 529.412 4.707 40 30 KJEBRN CCN(CC)c1ccc(/N=C(/C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100998463 554551465 /nfs/dbraw/zinc/55/14/65/554551465.db2.gz JZRDXDBEKVWEMJ-QCWLDUFUSA-N 0 0 560.563 4.608 40 30 KJEBRN CCN(CC)c1ccc(/N=C(\C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100998466 554551575 /nfs/dbraw/zinc/55/15/75/554551575.db2.gz JZRDXDBEKVWEMJ-JVCXMKTPSA-N 0 0 560.563 4.608 40 30 KJEBRN C#CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2cccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000101021197 554561555 /nfs/dbraw/zinc/56/15/55/554561555.db2.gz RALPNGMNNIQUAI-RAWKODRKSA-N 0 0 545.664 4.848 40 30 KJEBRN C#CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2cccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000101021200 554561582 /nfs/dbraw/zinc/56/15/82/554561582.db2.gz RALPNGMNNIQUAI-XGLKJEJJSA-N 0 0 545.664 4.848 40 30 KJEBRN CCOc1ccc(Br)cc1/C=c1/s/c(=C(\C#N)C(=O)Nc2ccccc2C)n(-c2ccccc2)c1=O ZINC000101025244 554563380 /nfs/dbraw/zinc/56/33/80/554563380.db2.gz NGZSXIUOGUDRGV-NIRKHDGLSA-N 0 0 560.473 4.510 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064537 554572245 /nfs/dbraw/zinc/57/22/45/554572245.db2.gz UNYRSYNWGCAYEB-FXSWLTOZSA-N 0 0 598.409 4.735 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064539 554572194 /nfs/dbraw/zinc/57/21/94/554572194.db2.gz UNYRSYNWGCAYEB-ROXDYWFKSA-N 0 0 598.409 4.735 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064541 554572172 /nfs/dbraw/zinc/57/21/72/554572172.db2.gz UNYRSYNWGCAYEB-ASDGIDEWSA-N 0 0 598.409 4.735 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064556 554572250 /nfs/dbraw/zinc/57/22/50/554572250.db2.gz HLFRLJILOZVPFI-NNTQFHGGSA-N 0 0 611.448 4.598 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064558 554572189 /nfs/dbraw/zinc/57/21/89/554572189.db2.gz HLFRLJILOZVPFI-NXKWUFEUSA-N 0 0 611.448 4.598 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064560 554572252 /nfs/dbraw/zinc/57/22/52/554572252.db2.gz HLFRLJILOZVPFI-QWMXJGQVSA-N 0 0 611.448 4.598 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064562 554572215 /nfs/dbraw/zinc/57/22/15/554572215.db2.gz HCCOQHFZWAOTQM-DRZCSJLFSA-N 0 0 597.421 4.556 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064563 554572238 /nfs/dbraw/zinc/57/22/38/554572238.db2.gz HCCOQHFZWAOTQM-VCWDAVCJSA-N 0 0 597.421 4.556 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064566 554572230 /nfs/dbraw/zinc/57/22/30/554572230.db2.gz HCCOQHFZWAOTQM-DQTXXJETSA-N 0 0 597.421 4.556 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064572 554572472 /nfs/dbraw/zinc/57/24/72/554572472.db2.gz AVPVIRDEOZPSQD-FXSWLTOZSA-N 0 0 553.412 4.827 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064573 554572500 /nfs/dbraw/zinc/57/25/00/554572500.db2.gz AVPVIRDEOZPSQD-ROXDYWFKSA-N 0 0 553.412 4.827 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064578 554572428 /nfs/dbraw/zinc/57/24/28/554572428.db2.gz AVPVIRDEOZPSQD-ASDGIDEWSA-N 0 0 553.412 4.827 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064579 554572488 /nfs/dbraw/zinc/57/24/88/554572488.db2.gz UAWCVSWZTNHWJU-FXSWLTOZSA-N 0 0 571.402 4.966 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064583 554572491 /nfs/dbraw/zinc/57/24/91/554572491.db2.gz UAWCVSWZTNHWJU-ROXDYWFKSA-N 0 0 571.402 4.966 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064587 554572476 /nfs/dbraw/zinc/57/24/76/554572476.db2.gz UAWCVSWZTNHWJU-ASDGIDEWSA-N 0 0 571.402 4.966 40 30 KJEBRN N#Cc1nc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)oc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000101215141 554680936 /nfs/dbraw/zinc/68/09/36/554680936.db2.gz DHLWXXBLLGBWKC-UHFFFAOYSA-N 0 0 560.079 4.940 40 30 KJEBRN COc1ccc(CCNc2oc(-c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc2C#N)cc1OC ZINC000101215151 554680921 /nfs/dbraw/zinc/68/09/21/554680921.db2.gz RNPZSUDACYCOKI-UHFFFAOYSA-N 0 0 544.633 4.632 40 30 KJEBRN COc1ccc(CCNc2oc(-c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc2C#N)cc1OC ZINC000101215255 554680976 /nfs/dbraw/zinc/68/09/76/554680976.db2.gz BWJGBWNXBTUWOI-UHFFFAOYSA-N 0 0 532.622 4.706 40 30 KJEBRN N#Cc1nc(/C=C/c2ccc([N+](=O)[O-])cc2)oc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000101217117 554684578 /nfs/dbraw/zinc/68/45/78/554684578.db2.gz HZXSJIYQVOYVEG-FPYGCLRLSA-N 0 0 528.352 4.659 40 30 KJEBRN COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)COc4ccc(Cl)cc4Cl)CC3)o2)cc1OC ZINC000101217433 554684827 /nfs/dbraw/zinc/68/48/27/554684827.db2.gz GNPSVXQQNUGWSO-XBXARRHUSA-N 0 0 543.407 4.768 40 30 KJEBRN N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000101217567 554684779 /nfs/dbraw/zinc/68/47/79/554684779.db2.gz XXGXVYITYMHPHC-QPJJXVBHSA-N 0 0 528.352 4.659 40 30 KJEBRN O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299458 554712804 /nfs/dbraw/zinc/71/28/04/554712804.db2.gz LWMMXIGEGXYKKT-NBDGNYLESA-N 0 0 559.757 4.990 40 30 KJEBRN O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299461 554712707 /nfs/dbraw/zinc/71/27/07/554712707.db2.gz LWMMXIGEGXYKKT-GKWDWCRUSA-N 0 0 559.757 4.990 40 30 KJEBRN O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299464 554712728 /nfs/dbraw/zinc/71/27/28/554712728.db2.gz LWMMXIGEGXYKKT-LORAGYHNSA-N 0 0 559.757 4.990 40 30 KJEBRN O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299468 554712772 /nfs/dbraw/zinc/71/27/72/554712772.db2.gz LWMMXIGEGXYKKT-FLOVGUJOSA-N 0 0 559.757 4.990 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000101299473 554712724 /nfs/dbraw/zinc/71/27/24/554712724.db2.gz FKPFGOFJOZXSOD-OSLYOUFXSA-N 0 0 589.783 4.998 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000101299476 554712749 /nfs/dbraw/zinc/71/27/49/554712749.db2.gz FKPFGOFJOZXSOD-NLFKXYSESA-N 0 0 589.783 4.998 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000101299479 554712701 /nfs/dbraw/zinc/71/27/01/554712701.db2.gz FKPFGOFJOZXSOD-PRTLBCTASA-N 0 0 589.783 4.998 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000101299483 554712710 /nfs/dbraw/zinc/71/27/10/554712710.db2.gz FKPFGOFJOZXSOD-ZJEGZILPSA-N 0 0 589.783 4.998 40 30 KJEBRN O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299557 554713057 /nfs/dbraw/zinc/71/30/57/554713057.db2.gz JCTRLDIRPUFFBE-NBDGNYLESA-N 0 0 575.756 4.826 40 30 KJEBRN O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299561 554713120 /nfs/dbraw/zinc/71/31/20/554713120.db2.gz JCTRLDIRPUFFBE-GKWDWCRUSA-N 0 0 575.756 4.826 40 30 KJEBRN O=C(COc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299566 554712988 /nfs/dbraw/zinc/71/29/88/554712988.db2.gz JCTRLDIRPUFFBE-LORAGYHNSA-N 0 0 575.756 4.826 40 30 KJEBRN O=C(COc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299568 554713122 /nfs/dbraw/zinc/71/31/22/554713122.db2.gz JCTRLDIRPUFFBE-FLOVGUJOSA-N 0 0 575.756 4.826 40 30 KJEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299789 554713181 /nfs/dbraw/zinc/71/31/81/554713181.db2.gz OZCGEXQVTIUGGG-BHZORKMISA-N 0 0 589.783 4.998 40 30 KJEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299793 554713247 /nfs/dbraw/zinc/71/32/47/554713247.db2.gz OZCGEXQVTIUGGG-XJPOSFDUSA-N 0 0 589.783 4.998 40 30 KJEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299795 554713301 /nfs/dbraw/zinc/71/33/01/554713301.db2.gz OZCGEXQVTIUGGG-DAUVFYNJSA-N 0 0 589.783 4.998 40 30 KJEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299797 554713231 /nfs/dbraw/zinc/71/32/31/554713231.db2.gz OZCGEXQVTIUGGG-DZQGBFGBSA-N 0 0 589.783 4.998 40 30 KJEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299840 554713529 /nfs/dbraw/zinc/71/35/29/554713529.db2.gz LUHFPNFNSWCEJE-BCUYXUIKSA-N 0 0 612.818 4.662 40 30 KJEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299842 554713559 /nfs/dbraw/zinc/71/35/59/554713559.db2.gz LUHFPNFNSWCEJE-PMTFRNFJSA-N 0 0 612.818 4.662 40 30 KJEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299847 554713522 /nfs/dbraw/zinc/71/35/22/554713522.db2.gz LUHFPNFNSWCEJE-KNCXJTINSA-N 0 0 612.818 4.662 40 30 KJEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299848 554713551 /nfs/dbraw/zinc/71/35/51/554713551.db2.gz LUHFPNFNSWCEJE-LBMGVMIYSA-N 0 0 612.818 4.662 40 30 KJEBRN CC(C)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101302583 554713873 /nfs/dbraw/zinc/71/38/73/554713873.db2.gz XGAFBAQJDBRSKW-QQILVJHLSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101302586 554713786 /nfs/dbraw/zinc/71/37/86/554713786.db2.gz XGAFBAQJDBRSKW-QKOZFXLBSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101302588 554713826 /nfs/dbraw/zinc/71/38/26/554713826.db2.gz XGAFBAQJDBRSKW-WCIJRFJFSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101302591 554713867 /nfs/dbraw/zinc/71/38/67/554713867.db2.gz XGAFBAQJDBRSKW-FYEUVMHHSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl ZINC000101303929 554713953 /nfs/dbraw/zinc/71/39/53/554713953.db2.gz YWXUNNKGXPQLLF-PVFQWZBLSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl ZINC000101303933 554714018 /nfs/dbraw/zinc/71/40/18/554714018.db2.gz YWXUNNKGXPQLLF-YPNRWXPASA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl ZINC000101303937 554713993 /nfs/dbraw/zinc/71/39/93/554713993.db2.gz YWXUNNKGXPQLLF-IJFFIRMUSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl ZINC000101303942 554714010 /nfs/dbraw/zinc/71/40/10/554714010.db2.gz YWXUNNKGXPQLLF-MDRMRPDVSA-N 0 0 584.547 4.731 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304853 554714869 /nfs/dbraw/zinc/71/48/69/554714869.db2.gz KTGXSVHMFXKRIJ-AWGDHOFPSA-N 0 0 529.039 4.813 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304859 554714847 /nfs/dbraw/zinc/71/48/47/554714847.db2.gz KTGXSVHMFXKRIJ-NPQZQBQKSA-N 0 0 529.039 4.813 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304863 554714903 /nfs/dbraw/zinc/71/49/03/554714903.db2.gz KTGXSVHMFXKRIJ-MQQGMSMNSA-N 0 0 529.039 4.813 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304867 554714884 /nfs/dbraw/zinc/71/48/84/554714884.db2.gz KTGXSVHMFXKRIJ-CHPFSRKTSA-N 0 0 529.039 4.813 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304911 554714833 /nfs/dbraw/zinc/71/48/33/554714833.db2.gz KKAZFVIEWNRIHM-AWGDHOFPSA-N 0 0 513.040 4.976 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304917 554714808 /nfs/dbraw/zinc/71/48/08/554714808.db2.gz KKAZFVIEWNRIHM-NPQZQBQKSA-N 0 0 513.040 4.976 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304921 554714875 /nfs/dbraw/zinc/71/48/75/554714875.db2.gz KKAZFVIEWNRIHM-MQQGMSMNSA-N 0 0 513.040 4.976 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304925 554714813 /nfs/dbraw/zinc/71/48/13/554714813.db2.gz KKAZFVIEWNRIHM-CHPFSRKTSA-N 0 0 513.040 4.976 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304929 554714795 /nfs/dbraw/zinc/71/47/95/554714795.db2.gz HTKQTTVLZPEULM-AWGDHOFPSA-N 0 0 513.040 4.976 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304935 554714881 /nfs/dbraw/zinc/71/48/81/554714881.db2.gz HTKQTTVLZPEULM-NPQZQBQKSA-N 0 0 513.040 4.976 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304941 554714856 /nfs/dbraw/zinc/71/48/56/554714856.db2.gz HTKQTTVLZPEULM-MQQGMSMNSA-N 0 0 513.040 4.976 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304946 554714859 /nfs/dbraw/zinc/71/48/59/554714859.db2.gz HTKQTTVLZPEULM-CHPFSRKTSA-N 0 0 513.040 4.976 40 30 KJEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101308322 554716344 /nfs/dbraw/zinc/71/63/44/554716344.db2.gz JCXIFFMXKVBHGE-YLFPNQLTSA-N 0 0 566.101 4.567 40 30 KJEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101308326 554716401 /nfs/dbraw/zinc/71/64/01/554716401.db2.gz JCXIFFMXKVBHGE-KHXHMOIDSA-N 0 0 566.101 4.567 40 30 KJEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101308329 554716382 /nfs/dbraw/zinc/71/63/82/554716382.db2.gz JCXIFFMXKVBHGE-DDIUJTIYSA-N 0 0 566.101 4.567 40 30 KJEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101308332 554716361 /nfs/dbraw/zinc/71/63/61/554716361.db2.gz JCXIFFMXKVBHGE-QFTCELCTSA-N 0 0 566.101 4.567 40 30 KJEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101308338 554716391 /nfs/dbraw/zinc/71/63/91/554716391.db2.gz ULAVFVMUMQHLNH-VRFHBVBJSA-N 0 0 580.128 4.957 40 30 KJEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101308342 554716402 /nfs/dbraw/zinc/71/64/02/554716402.db2.gz ULAVFVMUMQHLNH-MFMRVQOGSA-N 0 0 580.128 4.957 40 30 KJEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101308345 554716366 /nfs/dbraw/zinc/71/63/66/554716366.db2.gz ULAVFVMUMQHLNH-VQRHEOQISA-N 0 0 580.128 4.957 40 30 KJEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101308348 554716384 /nfs/dbraw/zinc/71/63/84/554716384.db2.gz ULAVFVMUMQHLNH-NLLVJYGGSA-N 0 0 580.128 4.957 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl ZINC000101308930 554716603 /nfs/dbraw/zinc/71/66/03/554716603.db2.gz CVSWIWXXQUDAHX-JYCKYRCOSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl ZINC000101308934 554716586 /nfs/dbraw/zinc/71/65/86/554716586.db2.gz CVSWIWXXQUDAHX-OGABMLMYSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl ZINC000101308937 554716612 /nfs/dbraw/zinc/71/66/12/554716612.db2.gz CVSWIWXXQUDAHX-PITQIPGUSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl ZINC000101308940 554716589 /nfs/dbraw/zinc/71/65/89/554716589.db2.gz CVSWIWXXQUDAHX-UXXJNNTFSA-N 0 0 584.547 4.731 40 30 KJEBRN CCCCOc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101310589 554718352 /nfs/dbraw/zinc/71/83/52/554718352.db2.gz YNISCSNKDQPZSB-RCXMOHGGSA-N 0 0 587.764 4.603 40 30 KJEBRN CCCCOc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101310591 554718421 /nfs/dbraw/zinc/71/84/21/554718421.db2.gz YNISCSNKDQPZSB-FZSURXGZSA-N 0 0 587.764 4.603 40 30 KJEBRN CCCCOc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101310595 554718473 /nfs/dbraw/zinc/71/84/73/554718473.db2.gz YNISCSNKDQPZSB-KUWYHFEWSA-N 0 0 587.764 4.603 40 30 KJEBRN CCCCOc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101310596 554718371 /nfs/dbraw/zinc/71/83/71/554718371.db2.gz YNISCSNKDQPZSB-FUQDXDRDSA-N 0 0 587.764 4.603 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311028 554718573 /nfs/dbraw/zinc/71/85/73/554718573.db2.gz KGEKJGOUPUPONI-LWSZEUSRSA-N 0 0 539.384 4.693 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311029 554718571 /nfs/dbraw/zinc/71/85/71/554718571.db2.gz KGEKJGOUPUPONI-OOCKBWDGSA-N 0 0 539.384 4.693 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311030 554718579 /nfs/dbraw/zinc/71/85/79/554718579.db2.gz KGEKJGOUPUPONI-AUGDDYMYSA-N 0 0 539.384 4.693 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311031 554718554 /nfs/dbraw/zinc/71/85/54/554718554.db2.gz KGEKJGOUPUPONI-SKVYUPKPSA-N 0 0 539.384 4.693 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311037 554718598 /nfs/dbraw/zinc/71/85/98/554718598.db2.gz BWSNKOPANFIIIB-LWSZEUSRSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311039 554718519 /nfs/dbraw/zinc/71/85/19/554718519.db2.gz BWSNKOPANFIIIB-OOCKBWDGSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311040 554718601 /nfs/dbraw/zinc/71/86/01/554718601.db2.gz BWSNKOPANFIIIB-AUGDDYMYSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311044 554718533 /nfs/dbraw/zinc/71/85/33/554718533.db2.gz BWSNKOPANFIIIB-SKVYUPKPSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311048 554718587 /nfs/dbraw/zinc/71/85/87/554718587.db2.gz VLEJRNCUXSJPNA-LWSZEUSRSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311049 554718576 /nfs/dbraw/zinc/71/85/76/554718576.db2.gz VLEJRNCUXSJPNA-OOCKBWDGSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311050 554718535 /nfs/dbraw/zinc/71/85/35/554718535.db2.gz VLEJRNCUXSJPNA-AUGDDYMYSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311051 554718560 /nfs/dbraw/zinc/71/85/60/554718560.db2.gz VLEJRNCUXSJPNA-SKVYUPKPSA-N 0 0 523.385 4.856 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311189 554718981 /nfs/dbraw/zinc/71/89/81/554718981.db2.gz SCQHFGFJPILUES-WHSSRWCZSA-N 0 0 603.944 4.580 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311190 554719020 /nfs/dbraw/zinc/71/90/20/554719020.db2.gz SCQHFGFJPILUES-AZIFDFPHSA-N 0 0 603.944 4.580 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311192 554718987 /nfs/dbraw/zinc/71/89/87/554718987.db2.gz SCQHFGFJPILUES-LPCYUVBSSA-N 0 0 603.944 4.580 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311193 554719029 /nfs/dbraw/zinc/71/90/29/554719029.db2.gz SCQHFGFJPILUES-UOWHPNHJSA-N 0 0 603.944 4.580 40 30 KJEBRN CCOc1cc(Br)c(N2C(=NC(=O)Cc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311206 554719274 /nfs/dbraw/zinc/71/92/74/554719274.db2.gz QIZATGYQOUUTCH-WHSSRWCZSA-N 0 0 587.945 4.744 40 30 KJEBRN CCOc1cc(Br)c(N2C(=NC(=O)Cc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311209 554719228 /nfs/dbraw/zinc/71/92/28/554719228.db2.gz QIZATGYQOUUTCH-AZIFDFPHSA-N 0 0 587.945 4.744 40 30 KJEBRN CCOc1cc(Br)c(N2C(=NC(=O)Cc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311212 554719231 /nfs/dbraw/zinc/71/92/31/554719231.db2.gz QIZATGYQOUUTCH-LPCYUVBSSA-N 0 0 587.945 4.744 40 30 KJEBRN CCOc1cc(Br)c(N2C(=NC(=O)Cc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311214 554719222 /nfs/dbraw/zinc/71/92/22/554719222.db2.gz QIZATGYQOUUTCH-UOWHPNHJSA-N 0 0 587.945 4.744 40 30 KJEBRN CCOc1cc(Br)c(N2C(=NC(=O)Cc3ccccc3Cl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311216 554719253 /nfs/dbraw/zinc/71/92/53/554719253.db2.gz CDUATMVVIHUERU-WHSSRWCZSA-N 0 0 587.945 4.744 40 30 KJEBRN CCOc1cc(Br)c(N2C(=NC(=O)Cc3ccccc3Cl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311217 554719237 /nfs/dbraw/zinc/71/92/37/554719237.db2.gz CDUATMVVIHUERU-AZIFDFPHSA-N 0 0 587.945 4.744 40 30 KJEBRN CCOc1cc(Br)c(N2C(=NC(=O)Cc3ccccc3Cl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311219 554719248 /nfs/dbraw/zinc/71/92/48/554719248.db2.gz CDUATMVVIHUERU-LPCYUVBSSA-N 0 0 587.945 4.744 40 30 KJEBRN CCOc1cc(Br)c(N2C(=NC(=O)Cc3ccccc3Cl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311220 554719266 /nfs/dbraw/zinc/71/92/66/554719266.db2.gz CDUATMVVIHUERU-UOWHPNHJSA-N 0 0 587.945 4.744 40 30 KJEBRN O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311701 554720030 /nfs/dbraw/zinc/72/00/30/554720030.db2.gz QJPGZYHQSGVQIN-FGCSILAJSA-N 0 0 522.492 4.568 40 30 KJEBRN O=C(Cc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311703 554720028 /nfs/dbraw/zinc/72/00/28/554720028.db2.gz QJPGZYHQSGVQIN-JUCSSZCSSA-N 0 0 522.492 4.568 40 30 KJEBRN O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311706 554720041 /nfs/dbraw/zinc/72/00/41/554720041.db2.gz QJPGZYHQSGVQIN-FBBZVCMGSA-N 0 0 522.492 4.568 40 30 KJEBRN O=C(Cc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311707 554720016 /nfs/dbraw/zinc/72/00/16/554720016.db2.gz QJPGZYHQSGVQIN-HZVGBVKNSA-N 0 0 522.492 4.568 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000101311708 554720010 /nfs/dbraw/zinc/72/00/10/554720010.db2.gz BCSWIOCVTWPVTG-DRBOBSPCSA-N 0 0 552.518 4.577 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000101311710 554720006 /nfs/dbraw/zinc/72/00/06/554720006.db2.gz BCSWIOCVTWPVTG-IIVWKTABSA-N 0 0 552.518 4.577 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000101311712 554720032 /nfs/dbraw/zinc/72/00/32/554720032.db2.gz BCSWIOCVTWPVTG-WYODYAEOSA-N 0 0 552.518 4.577 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000101311714 554720053 /nfs/dbraw/zinc/72/00/53/554720053.db2.gz BCSWIOCVTWPVTG-ZRXPZDOQSA-N 0 0 552.518 4.577 40 30 KJEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311783 554720278 /nfs/dbraw/zinc/72/02/78/554720278.db2.gz UFNCKTGZBKCRDN-YVHDWNHLSA-N 0 0 540.482 4.707 40 30 KJEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311785 554720234 /nfs/dbraw/zinc/72/02/34/554720234.db2.gz UFNCKTGZBKCRDN-GCXMEPIOSA-N 0 0 540.482 4.707 40 30 KJEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311788 554720266 /nfs/dbraw/zinc/72/02/66/554720266.db2.gz UFNCKTGZBKCRDN-XEKMLKPTSA-N 0 0 540.482 4.707 40 30 KJEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311793 554720256 /nfs/dbraw/zinc/72/02/56/554720256.db2.gz UFNCKTGZBKCRDN-QREYKJDBSA-N 0 0 540.482 4.707 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311796 554720251 /nfs/dbraw/zinc/72/02/51/554720251.db2.gz RXNUSZKHJWVMDV-DRBOBSPCSA-N 0 0 536.519 4.958 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311798 554720276 /nfs/dbraw/zinc/72/02/76/554720276.db2.gz RXNUSZKHJWVMDV-IIVWKTABSA-N 0 0 536.519 4.958 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311800 554720247 /nfs/dbraw/zinc/72/02/47/554720247.db2.gz RXNUSZKHJWVMDV-WYODYAEOSA-N 0 0 536.519 4.958 40 30 KJEBRN O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311802 554720285 /nfs/dbraw/zinc/72/02/85/554720285.db2.gz RXNUSZKHJWVMDV-ZRXPZDOQSA-N 0 0 536.519 4.958 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000101311806 554720281 /nfs/dbraw/zinc/72/02/81/554720281.db2.gz UMMBVRDEAMOEAJ-DRBOBSPCSA-N 0 0 536.519 4.877 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000101311808 554720274 /nfs/dbraw/zinc/72/02/74/554720274.db2.gz UMMBVRDEAMOEAJ-IIVWKTABSA-N 0 0 536.519 4.877 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000101311809 554720454 /nfs/dbraw/zinc/72/04/54/554720454.db2.gz UMMBVRDEAMOEAJ-WYODYAEOSA-N 0 0 536.519 4.877 40 30 KJEBRN Cc1cccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000101311811 554720426 /nfs/dbraw/zinc/72/04/26/554720426.db2.gz UMMBVRDEAMOEAJ-ZRXPZDOQSA-N 0 0 536.519 4.877 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000101311812 554720420 /nfs/dbraw/zinc/72/04/20/554720420.db2.gz GSJWNVWMIPDKJN-DRBOBSPCSA-N 0 0 536.519 4.877 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000101311814 554720446 /nfs/dbraw/zinc/72/04/46/554720446.db2.gz GSJWNVWMIPDKJN-IIVWKTABSA-N 0 0 536.519 4.877 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000101311816 554720404 /nfs/dbraw/zinc/72/04/04/554720404.db2.gz GSJWNVWMIPDKJN-WYODYAEOSA-N 0 0 536.519 4.877 40 30 KJEBRN Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000101311818 554720444 /nfs/dbraw/zinc/72/04/44/554720444.db2.gz GSJWNVWMIPDKJN-ZRXPZDOQSA-N 0 0 536.519 4.877 40 30 KJEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311827 554720401 /nfs/dbraw/zinc/72/04/01/554720401.db2.gz JCTJRWBIZNMHRH-UEPNIJIVSA-N 0 0 552.518 4.577 40 30 KJEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311828 554720430 /nfs/dbraw/zinc/72/04/30/554720430.db2.gz JCTJRWBIZNMHRH-UELWCWOBSA-N 0 0 552.518 4.577 40 30 KJEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311829 554720458 /nfs/dbraw/zinc/72/04/58/554720458.db2.gz JCTJRWBIZNMHRH-XZTBQDPDSA-N 0 0 552.518 4.577 40 30 KJEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311830 554720438 /nfs/dbraw/zinc/72/04/38/554720438.db2.gz JCTJRWBIZNMHRH-DCXJPJDNSA-N 0 0 552.518 4.577 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC000101311832 554720452 /nfs/dbraw/zinc/72/04/52/554720452.db2.gz SFEYQUYKPPFSLD-ZPRFNPIGSA-N 0 0 582.544 4.586 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC000101311834 554720432 /nfs/dbraw/zinc/72/04/32/554720432.db2.gz SFEYQUYKPPFSLD-GHXGGTSDSA-N 0 0 582.544 4.586 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC000101311836 554720409 /nfs/dbraw/zinc/72/04/09/554720409.db2.gz SFEYQUYKPPFSLD-AUIFIWEPSA-N 0 0 582.544 4.586 40 30 KJEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC000101311837 554720428 /nfs/dbraw/zinc/72/04/28/554720428.db2.gz SFEYQUYKPPFSLD-IOLJOBJYSA-N 0 0 582.544 4.586 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl ZINC000101311973 554720407 /nfs/dbraw/zinc/72/04/07/554720407.db2.gz OPILNFQWSLJPDR-NMCOWNETSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl ZINC000101311975 554720440 /nfs/dbraw/zinc/72/04/40/554720440.db2.gz OPILNFQWSLJPDR-FPLTVGJZSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl ZINC000101311976 554720424 /nfs/dbraw/zinc/72/04/24/554720424.db2.gz OPILNFQWSLJPDR-PTQIGICGSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl ZINC000101311978 554720413 /nfs/dbraw/zinc/72/04/13/554720413.db2.gz OPILNFQWSLJPDR-WREMEHHASA-N 0 0 584.547 4.731 40 30 KJEBRN N#Cc1c(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)sc2c1CCN(Cc1ccccc1)C2 ZINC000101313022 554721398 /nfs/dbraw/zinc/72/13/98/554721398.db2.gz YKFKWZGLDHCMSR-UHFFFAOYSA-N 0 0 539.627 4.958 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1C(=NC(=O)Cc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101313164 554721421 /nfs/dbraw/zinc/72/14/21/554721421.db2.gz DZXHVNWIQDMSPJ-OKMZTDLNSA-N 0 0 527.893 4.563 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1C(=NC(=O)Cc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313166 554721676 /nfs/dbraw/zinc/72/16/76/554721676.db2.gz DZXHVNWIQDMSPJ-JLELSEFFSA-N 0 0 527.893 4.563 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1C(=NC(=O)Cc2ccc(Cl)cc2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101313167 554721663 /nfs/dbraw/zinc/72/16/63/554721663.db2.gz DZXHVNWIQDMSPJ-KQELZWPXSA-N 0 0 527.893 4.563 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1C(=NC(=O)Cc2ccc(Cl)cc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313170 554721659 /nfs/dbraw/zinc/72/16/59/554721659.db2.gz DZXHVNWIQDMSPJ-DCBVSXDUSA-N 0 0 527.893 4.563 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1C(=NC(=O)Cc2ccccc2Cl)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101313172 554721651 /nfs/dbraw/zinc/72/16/51/554721651.db2.gz FHLZJJGFGODERT-OKMZTDLNSA-N 0 0 527.893 4.563 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1C(=NC(=O)Cc2ccccc2Cl)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313175 554721673 /nfs/dbraw/zinc/72/16/73/554721673.db2.gz FHLZJJGFGODERT-JLELSEFFSA-N 0 0 527.893 4.563 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1C(=NC(=O)Cc2ccccc2Cl)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101313177 554721680 /nfs/dbraw/zinc/72/16/80/554721680.db2.gz FHLZJJGFGODERT-KQELZWPXSA-N 0 0 527.893 4.563 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1C(=NC(=O)Cc2ccccc2Cl)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313179 554721701 /nfs/dbraw/zinc/72/17/01/554721701.db2.gz FHLZJJGFGODERT-DCBVSXDUSA-N 0 0 527.893 4.563 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101313310 554721827 /nfs/dbraw/zinc/72/18/27/554721827.db2.gz SCXVLXUGVQSGNY-TYQSZFKBSA-N 0 0 622.607 4.803 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313315 554721848 /nfs/dbraw/zinc/72/18/48/554721848.db2.gz SCXVLXUGVQSGNY-ZRIREXGXSA-N 0 0 622.607 4.803 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101313319 554721842 /nfs/dbraw/zinc/72/18/42/554721842.db2.gz SCXVLXUGVQSGNY-XFNDTPHSSA-N 0 0 622.607 4.803 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313322 554721824 /nfs/dbraw/zinc/72/18/24/554721824.db2.gz SCXVLXUGVQSGNY-DETQMPMVSA-N 0 0 622.607 4.803 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000101314548 554722653 /nfs/dbraw/zinc/72/26/53/554722653.db2.gz SNVMRGURXROUQP-FAVAYDPOSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000101314549 554722674 /nfs/dbraw/zinc/72/26/74/554722674.db2.gz SNVMRGURXROUQP-GGSJRRFCSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000101314551 554722655 /nfs/dbraw/zinc/72/26/55/554722655.db2.gz SNVMRGURXROUQP-XNDAWQROSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000101314552 554722670 /nfs/dbraw/zinc/72/26/70/554722670.db2.gz SNVMRGURXROUQP-BKVWXUFMSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl ZINC000101315971 554723135 /nfs/dbraw/zinc/72/31/35/554723135.db2.gz WFOYTGZTVWRXRJ-JYCKYRCOSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl ZINC000101315973 554723132 /nfs/dbraw/zinc/72/31/32/554723132.db2.gz WFOYTGZTVWRXRJ-OGABMLMYSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl ZINC000101315975 554723096 /nfs/dbraw/zinc/72/30/96/554723096.db2.gz WFOYTGZTVWRXRJ-PITQIPGUSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl ZINC000101315976 554723121 /nfs/dbraw/zinc/72/31/21/554723121.db2.gz WFOYTGZTVWRXRJ-UXXJNNTFSA-N 0 0 584.547 4.731 40 30 KJEBRN O=C(CCC1CCCC1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316065 554723092 /nfs/dbraw/zinc/72/30/92/554723092.db2.gz CJBNZOVMYXWOHH-FBILQTODSA-N 0 0 505.887 4.674 40 30 KJEBRN O=C(CCC1CCCC1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316067 554723076 /nfs/dbraw/zinc/72/30/76/554723076.db2.gz CJBNZOVMYXWOHH-XWGOGYMWSA-N 0 0 505.887 4.674 40 30 KJEBRN O=C(CCC1CCCC1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316068 554723084 /nfs/dbraw/zinc/72/30/84/554723084.db2.gz CJBNZOVMYXWOHH-ZWTLYLSISA-N 0 0 505.887 4.674 40 30 KJEBRN O=C(CCC1CCCC1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316070 554723101 /nfs/dbraw/zinc/72/31/01/554723101.db2.gz CJBNZOVMYXWOHH-JFOZHCFESA-N 0 0 505.887 4.674 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316075 554723117 /nfs/dbraw/zinc/72/31/17/554723117.db2.gz AMXWQOKMCOAXLK-JLBSRVSVSA-N 0 0 534.284 4.600 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316078 554723125 /nfs/dbraw/zinc/72/31/25/554723125.db2.gz AMXWQOKMCOAXLK-XWFMMPOZSA-N 0 0 534.284 4.600 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316080 554723111 /nfs/dbraw/zinc/72/31/11/554723111.db2.gz AMXWQOKMCOAXLK-ZKACAFABSA-N 0 0 534.284 4.600 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316083 554723129 /nfs/dbraw/zinc/72/31/29/554723129.db2.gz AMXWQOKMCOAXLK-LHUFXSHWSA-N 0 0 534.284 4.600 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316085 554723349 /nfs/dbraw/zinc/72/33/49/554723349.db2.gz AFVNAEJYYITICU-JLBSRVSVSA-N 0 0 534.284 4.600 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316087 554723322 /nfs/dbraw/zinc/72/33/22/554723322.db2.gz AFVNAEJYYITICU-XWFMMPOZSA-N 0 0 534.284 4.600 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316088 554723326 /nfs/dbraw/zinc/72/33/26/554723326.db2.gz AFVNAEJYYITICU-ZKACAFABSA-N 0 0 534.284 4.600 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316089 554723316 /nfs/dbraw/zinc/72/33/16/554723316.db2.gz AFVNAEJYYITICU-LHUFXSHWSA-N 0 0 534.284 4.600 40 30 KJEBRN CC(C)c1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101316761 554723816 /nfs/dbraw/zinc/72/38/16/554723816.db2.gz UQVXEUOFNCCMLY-NIZLWHRFSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101316764 554723888 /nfs/dbraw/zinc/72/38/88/554723888.db2.gz UQVXEUOFNCCMLY-FRPGVXQGSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101316766 554723846 /nfs/dbraw/zinc/72/38/46/554723846.db2.gz UQVXEUOFNCCMLY-PAPOBWAHSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101316771 554723929 /nfs/dbraw/zinc/72/39/29/554723929.db2.gz UQVXEUOFNCCMLY-SHLNRJNDSA-N 0 0 557.738 4.547 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316826 554723856 /nfs/dbraw/zinc/72/38/56/554723856.db2.gz UVTXPEIDGHDEGZ-LWSZEUSRSA-N 0 0 539.384 4.693 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316827 554723885 /nfs/dbraw/zinc/72/38/85/554723885.db2.gz UVTXPEIDGHDEGZ-OOCKBWDGSA-N 0 0 539.384 4.693 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316828 554723933 /nfs/dbraw/zinc/72/39/33/554723933.db2.gz UVTXPEIDGHDEGZ-AUGDDYMYSA-N 0 0 539.384 4.693 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316829 554723901 /nfs/dbraw/zinc/72/39/01/554723901.db2.gz UVTXPEIDGHDEGZ-SKVYUPKPSA-N 0 0 539.384 4.693 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316848 554723914 /nfs/dbraw/zinc/72/39/14/554723914.db2.gz ZSPREJJMFJLVRJ-LWSZEUSRSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316851 554723847 /nfs/dbraw/zinc/72/38/47/554723847.db2.gz ZSPREJJMFJLVRJ-OOCKBWDGSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316852 554723926 /nfs/dbraw/zinc/72/39/26/554723926.db2.gz ZSPREJJMFJLVRJ-AUGDDYMYSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316854 554723911 /nfs/dbraw/zinc/72/39/11/554723911.db2.gz ZSPREJJMFJLVRJ-SKVYUPKPSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316857 554723931 /nfs/dbraw/zinc/72/39/31/554723931.db2.gz VFWPBQQCOQQMHC-LWSZEUSRSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316860 554723875 /nfs/dbraw/zinc/72/38/75/554723875.db2.gz VFWPBQQCOQQMHC-OOCKBWDGSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316863 554724131 /nfs/dbraw/zinc/72/41/31/554724131.db2.gz VFWPBQQCOQQMHC-AUGDDYMYSA-N 0 0 523.385 4.856 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316865 554724136 /nfs/dbraw/zinc/72/41/36/554724136.db2.gz VFWPBQQCOQQMHC-SKVYUPKPSA-N 0 0 523.385 4.856 40 30 KJEBRN CCc1cccc(CC)c1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101317238 554724372 /nfs/dbraw/zinc/72/43/72/554724372.db2.gz DUJXDPBDMAMDDJ-ZOKOYMJPSA-N 0 0 571.765 4.549 40 30 KJEBRN CCc1cccc(CC)c1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101317240 554724287 /nfs/dbraw/zinc/72/42/87/554724287.db2.gz DUJXDPBDMAMDDJ-AKWNPXKVSA-N 0 0 571.765 4.549 40 30 KJEBRN CCc1cccc(CC)c1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101317242 554724331 /nfs/dbraw/zinc/72/43/31/554724331.db2.gz DUJXDPBDMAMDDJ-ITDWHCMFSA-N 0 0 571.765 4.549 40 30 KJEBRN CCc1cccc(CC)c1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101317244 554724375 /nfs/dbraw/zinc/72/43/75/554724375.db2.gz DUJXDPBDMAMDDJ-QMSMVAPESA-N 0 0 571.765 4.549 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317522 554724615 /nfs/dbraw/zinc/72/46/15/554724615.db2.gz FYSRRDDCFNVSBP-KZMIKRDMSA-N 0 0 543.066 4.599 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317525 554724572 /nfs/dbraw/zinc/72/45/72/554724572.db2.gz FYSRRDDCFNVSBP-IEHNHDSGSA-N 0 0 543.066 4.599 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317528 554724604 /nfs/dbraw/zinc/72/46/04/554724604.db2.gz FYSRRDDCFNVSBP-DSUZULOTSA-N 0 0 543.066 4.599 40 30 KJEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317531 554724562 /nfs/dbraw/zinc/72/45/62/554724562.db2.gz FYSRRDDCFNVSBP-KPTISMGKSA-N 0 0 543.066 4.599 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317556 554724594 /nfs/dbraw/zinc/72/45/94/554724594.db2.gz NIIBWMMFPMOKIQ-KZMIKRDMSA-N 0 0 527.067 4.763 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317559 554724567 /nfs/dbraw/zinc/72/45/67/554724567.db2.gz NIIBWMMFPMOKIQ-IEHNHDSGSA-N 0 0 527.067 4.763 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317562 554724583 /nfs/dbraw/zinc/72/45/83/554724583.db2.gz NIIBWMMFPMOKIQ-DSUZULOTSA-N 0 0 527.067 4.763 40 30 KJEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317564 554724592 /nfs/dbraw/zinc/72/45/92/554724592.db2.gz NIIBWMMFPMOKIQ-KPTISMGKSA-N 0 0 527.067 4.763 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317568 554724584 /nfs/dbraw/zinc/72/45/84/554724584.db2.gz CXVNVCWBYNNMOC-KZMIKRDMSA-N 0 0 527.067 4.763 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317572 554724610 /nfs/dbraw/zinc/72/46/10/554724610.db2.gz CXVNVCWBYNNMOC-IEHNHDSGSA-N 0 0 527.067 4.763 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317574 554724565 /nfs/dbraw/zinc/72/45/65/554724565.db2.gz CXVNVCWBYNNMOC-DSUZULOTSA-N 0 0 527.067 4.763 40 30 KJEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317576 554724591 /nfs/dbraw/zinc/72/45/91/554724591.db2.gz CXVNVCWBYNNMOC-KPTISMGKSA-N 0 0 527.067 4.763 40 30 KJEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319400 554726974 /nfs/dbraw/zinc/72/69/74/554726974.db2.gz ALXRYZSTWVMTRR-YWZJMRMNSA-N 0 0 600.807 4.579 40 30 KJEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000101319402 554727206 /nfs/dbraw/zinc/72/72/06/554727206.db2.gz ALXRYZSTWVMTRR-OSZNOQESSA-N 0 0 600.807 4.579 40 30 KJEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319407 554727144 /nfs/dbraw/zinc/72/71/44/554727144.db2.gz ALXRYZSTWVMTRR-BMADRYERSA-N 0 0 600.807 4.579 40 30 KJEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000101319410 554727234 /nfs/dbraw/zinc/72/72/34/554727234.db2.gz ALXRYZSTWVMTRR-YQSDLSJESA-N 0 0 600.807 4.579 40 30 KJEBRN C=CCCn1c(CCN2C(=O)c3cccc4cccc(c43)C2=O)nnc1SCc1ccc(C(=O)OC)cc1 ZINC000101365959 554743776 /nfs/dbraw/zinc/74/37/76/554743776.db2.gz RXRJCSJTVGKQSD-UHFFFAOYSA-N 0 0 526.618 4.925 40 30 KJEBRN COc1ccccc1/C=N/n1c(-c2ccccc2OC)cc2c(C#N)c(=O)n(-c3ccc(Cl)cc3)nc2c1=O ZINC000101461335 554778472 /nfs/dbraw/zinc/77/84/72/554778472.db2.gz AMUKMJTZUDBKME-VTNSRFBWSA-N 0 0 537.963 4.639 40 30 KJEBRN COc1ccc(C=c2sc3n(c2=O)C(N)=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC)cc2)C=3C(=O)c2ccccc2)cc1 ZINC000101461696 554778638 /nfs/dbraw/zinc/77/86/38/554778638.db2.gz JPCBEZGWHKRSMB-XWBFJZKFSA-N 0 0 600.696 4.597 40 30 KJEBRN COc1ccc(C=c2sc3n(c2=O)C(N)=C(C(=O)c2ccccc2)[C@H](c2ccc(OC)cc2)C=3C(=O)c2ccccc2)cc1 ZINC000101461699 554778666 /nfs/dbraw/zinc/77/86/66/554778666.db2.gz JPCBEZGWHKRSMB-JIMGHXBBSA-N 0 0 600.696 4.597 40 30 KJEBRN NC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)C(C(=O)c2ccccc2)=c2sc(=Cc3ccccc3)c(=O)n21 ZINC000101461781 554778627 /nfs/dbraw/zinc/77/86/27/554778627.db2.gz FAXGBODAPXGYRK-QBGJMPKQSA-N 0 0 540.644 4.580 40 30 KJEBRN NC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)C(C(=O)c2ccccc2)=c2sc(=Cc3ccccc3)c(=O)n21 ZINC000101461786 554778733 /nfs/dbraw/zinc/77/87/33/554778733.db2.gz FAXGBODAPXGYRK-SJALUMQSSA-N 0 0 540.644 4.580 40 30 KJEBRN CCCCCCCCCCCCCCCCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000101461811 554778711 /nfs/dbraw/zinc/77/87/11/554778711.db2.gz LRVMCGFIYMQLCA-UHFFFAOYSA-N 0 0 503.732 4.747 40 30 KJEBRN CCCCCCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000101461821 554778672 /nfs/dbraw/zinc/77/86/72/554778672.db2.gz DQQGGCJXUQNJFK-UHFFFAOYSA-N 0 0 501.675 4.997 40 30 KJEBRN CCCCCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(Br)cc2)n(C)c1=O ZINC000101463401 554779542 /nfs/dbraw/zinc/77/95/42/554779542.db2.gz ZTXVGMMOZWTRPA-UHFFFAOYSA-N 0 0 502.457 4.952 40 30 KJEBRN CCOC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3cc(OC)c(O)c(Br)c3Br)S2)cc1 ZINC000101524545 554794308 /nfs/dbraw/zinc/79/43/08/554794308.db2.gz HFJCGKVQMFHUML-NTEUORMPSA-N 0 0 556.232 4.994 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1OCC ZINC000101527343 554794281 /nfs/dbraw/zinc/79/42/81/554794281.db2.gz HLLBQMPYQRQDOT-LDADJPATSA-N 0 0 552.390 4.523 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2\CCC/C(=C/c3ccc(OCC(=O)OCC)c(OC)c3)C2=O)cc1OC ZINC000101532392 554795057 /nfs/dbraw/zinc/79/50/57/554795057.db2.gz UWYRRPJDBVFVKT-OQRYGUKSSA-N 0 0 538.593 4.808 40 30 KJEBRN C=CCOc1ccc(Br)c([C@@H]2Nc3ccc(I)cc3C(=O)N2NC(=O)c2ccncc2)c1 ZINC000101534272 554795262 /nfs/dbraw/zinc/79/52/62/554795262.db2.gz BFXCLMUFQNYZTG-OAQYLSRUSA-N 0 0 605.230 4.925 40 30 KJEBRN C=CCOc1ccc(Br)c([C@H]2Nc3ccc(I)cc3C(=O)N2NC(=O)c2ccncc2)c1 ZINC000101534277 554795301 /nfs/dbraw/zinc/79/53/01/554795301.db2.gz BFXCLMUFQNYZTG-NRFANRHFSA-N 0 0 605.230 4.925 40 30 KJEBRN COc1ccccc1C(=O)OC1=C(C(=O)c2ccccc2)N(C(=O)c2ccccc2OC)S(=O)(=O)c2ccccc21 ZINC000101572568 554798273 /nfs/dbraw/zinc/79/82/73/554798273.db2.gz COPJGGMDPFCHJA-UHFFFAOYSA-N 0 0 569.591 4.957 40 30 KJEBRN CCOc1cc(/C=C2\C(C)=NN(c3ccc(C#N)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(=O)OC ZINC000101572775 554798280 /nfs/dbraw/zinc/79/82/80/554798280.db2.gz IIIMGYZRMVBTOY-BUVRLJJBSA-N 0 0 538.560 4.567 40 30 KJEBRN CCOc1cc(/C=C2\C(C)=NN(c3ccc(C#N)cc3)C2=O)c(Br)cc1OCC(=O)OC(C)C ZINC000101573593 554798251 /nfs/dbraw/zinc/79/82/51/554798251.db2.gz QXTWAMRHGYPWLQ-KEBDBYFISA-N 0 0 526.387 4.856 40 30 KJEBRN COc1cc(/C=C2/C(=O)N(c3ccc(C#N)cc3)N=C2C)c(Br)cc1OCC(=O)NC1CCCCC1 ZINC000101573995 554798242 /nfs/dbraw/zinc/79/82/42/554798242.db2.gz UCVKAJCVOYNECJ-WSDLNYQXSA-N 0 0 551.441 4.963 40 30 KJEBRN COCCN1C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)S/C1=N/c1ccccc1 ZINC000101634391 554812485 /nfs/dbraw/zinc/81/24/85/554812485.db2.gz LIWFVKYDXYVJET-ZIARRYFKSA-N 0 0 524.380 4.559 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N/c3ccc(S(N)(=O)=O)cc3)NC2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101636411 554812921 /nfs/dbraw/zinc/81/29/21/554812921.db2.gz YTYROLXFSSYYCP-QRVIBDJDSA-N 0 0 620.631 4.661 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/S/C(=N/c3ccccc3)N(CCOC)C2=O)cc1OCC ZINC000101643986 554814843 /nfs/dbraw/zinc/81/48/43/554814843.db2.gz MFRGEOYMMVZTHF-OUDXAXHNSA-N 0 0 562.429 4.952 40 30 KJEBRN COC(=O)c1ccc(NC(=O)/C=C2\S/C(=N/Cc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000101686943 554829670 /nfs/dbraw/zinc/82/96/70/554829670.db2.gz ZGPLFTVIEISHJU-CTMKFROTSA-N 0 0 521.545 4.906 40 30 KJEBRN N#Cc1ccc(-c2ccc(OC[C@H](O)CN3CCN(C[C@H](O)COc4ccc(-c5ccc(C#N)cc5)cc4)CC3)cc2)cc1 ZINC000101859405 554843958 /nfs/dbraw/zinc/84/39/58/554843958.db2.gz DMTBYJRWDMMIIQ-AQOUDTPCSA-N 0 0 588.708 4.561 40 30 KJEBRN N#Cc1ccc(-c2ccc(OC[C@@H](O)CN3CCN(C[C@H](O)COc4ccc(-c5ccc(C#N)cc5)cc4)CC3)cc2)cc1 ZINC000101859411 554844030 /nfs/dbraw/zinc/84/40/30/554844030.db2.gz DMTBYJRWDMMIIQ-HEVIKAOCSA-N 0 0 588.708 4.561 40 30 KJEBRN N#Cc1ccc(-c2ccc(OC[C@H](O)CN3CCN(C[C@@H](O)COc4ccc(-c5ccc(C#N)cc5)cc4)CC3)cc2)cc1 ZINC000101859416 554844005 /nfs/dbraw/zinc/84/40/05/554844005.db2.gz DMTBYJRWDMMIIQ-KKLWWLSJSA-N 0 0 588.708 4.561 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1OC ZINC000101912051 554849868 /nfs/dbraw/zinc/84/98/68/554849868.db2.gz WTDQXXXMYYBOOV-CIAFOILYSA-N 0 0 545.411 4.543 40 30 KJEBRN COc1cc(C=CC(=O)N=C(NCCc2c[nH]c3ccc(F)cc23)Nc2nc(C)cc(C)n2)cc(OC)c1OC ZINC000101992246 554864164 /nfs/dbraw/zinc/86/41/64/554864164.db2.gz DDJULXNEJAWEJS-RMKNXTFCSA-N 0 0 546.603 4.580 40 30 KJEBRN COc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000102052606 1067212019 /nfs/dbraw/zinc/21/20/19/1067212019.db2.gz RTARRFASYZAZHT-PPHZAIPVSA-N 0 0 539.588 4.855 40 30 KJEBRN CN(C)N=C1c2cc(S(=O)(=O)Oc3ccccc3)ccc2-c2ccc(S(=O)(=O)Oc3ccccc3)cc21 ZINC000102415247 1067212004 /nfs/dbraw/zinc/21/20/04/1067212004.db2.gz JRWYRSUBJHYMBC-UHFFFAOYSA-N 0 0 534.615 4.516 40 30 KJEBRN COc1ccc(OS(=O)(=O)c2ccc3c(c2)C(=NN(C)C)c2cc(S(=O)(=O)Oc4ccc(OC)cc4)ccc2-3)cc1 ZINC000102415256 1067212001 /nfs/dbraw/zinc/21/20/01/1067212001.db2.gz YNHSGFUWBUTZJX-UHFFFAOYSA-N 0 0 594.667 4.534 40 30 KJEBRN CN(C)N=C1c2cc(S(=O)(=O)Nc3ccccc3)ccc2-c2ccc(S(=O)(=O)Nc3ccccc3)cc21 ZINC000102415270 1067211975 /nfs/dbraw/zinc/21/19/75/1067211975.db2.gz WOYVSBJWULPZSI-UHFFFAOYSA-N 0 0 532.647 4.583 40 30 KJEBRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=NN)c1cc(S(=O)(=O)Nc3ccccc3C)ccc1-2 ZINC000102415283 1067211937 /nfs/dbraw/zinc/21/19/37/1067211937.db2.gz ZWMUZDPLKBFCPJ-UHFFFAOYSA-N 0 0 532.647 4.597 40 30 KJEBRN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=NN)c2cc(S(=O)(=O)Nc4cccc(C)c4)ccc2-3)c1 ZINC000102415285 1067212590 /nfs/dbraw/zinc/21/25/90/1067212590.db2.gz RUAJYVRJIVVYHT-UHFFFAOYSA-N 0 0 532.647 4.597 40 30 KJEBRN N#Cc1s/c(=N\C(=N\CS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)n(-c2ccccc2)c1N ZINC000102432568 554927259 /nfs/dbraw/zinc/92/72/59/554927259.db2.gz KPBMKQFJFOWMRA-DEDSWAOCSA-N 0 0 523.643 4.925 40 30 KJEBRN COc1cc(/C=N/NC(=S)NCc2ccccc2)cc(I)c1OCc1ccccc1 ZINC000102444983 554930301 /nfs/dbraw/zinc/93/03/01/554930301.db2.gz QIYAHTUFROFEFQ-CVKSISIWSA-N 0 0 531.419 4.877 40 30 KJEBRN COc1ccc(C(=O)O/N=C(\c2ccc(OC)c(OC)c2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000102456860 554934515 /nfs/dbraw/zinc/93/45/15/554934515.db2.gz OOOLNZPVLSMAIE-TVKQRKNISA-N 0 0 532.549 4.896 40 30 KJEBRN CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N/N=C1\CCCc3c1sc(NC(C)=O)c3C(=O)OCC)CCC2 ZINC000102524963 554951575 /nfs/dbraw/zinc/95/15/75/554951575.db2.gz FZVUXOIQTUNPQH-YAGSLNJISA-N 0 0 558.682 4.946 40 30 KJEBRN CC(=O)Nc1ccccc1N(C[C@H](O)CON=C1c2ccccc2-c2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000102613495 1067212658 /nfs/dbraw/zinc/21/26/58/1067212658.db2.gz MSJUEMYRUGARJP-QHCPKHFHSA-N 0 0 555.656 4.959 40 30 KJEBRN CC(=O)Nc1ccccc1N(C[C@@H](O)CON=C1c2ccccc2-c2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000102613498 1067213118 /nfs/dbraw/zinc/21/31/18/1067213118.db2.gz MSJUEMYRUGARJP-HSZRJFAPSA-N 0 0 555.656 4.959 40 30 KJEBRN Cc1c(NC2=CC(=NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000102629406 554989163 /nfs/dbraw/zinc/98/91/63/554989163.db2.gz XOELNDIUIYPWHR-CKWSZQMZSA-N 0 0 589.633 4.574 40 30 KJEBRN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC(C)=O)c(OC)c2)[C@@H](C(=O)c2ccc(OC(C)=O)cc2)N2c3ccccc3C=C[C@H]21 ZINC000102893592 555131068 /nfs/dbraw/zinc/13/10/68/555131068.db2.gz QMHDHWVBSKKDIG-MDOIRUMSSA-N 0 0 594.620 4.870 40 30 KJEBRN CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(OC(C)=O)c(OC)c2)[C@@H](C(=O)c2ccc(OC(C)=O)cc2)N2c3ccccc3C=C[C@H]21 ZINC000102893594 555131102 /nfs/dbraw/zinc/13/11/02/555131102.db2.gz QMHDHWVBSKKDIG-MEROQGEASA-N 0 0 594.620 4.870 40 30 KJEBRN CCOC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC(C)=O)cc2)[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000102893596 555131058 /nfs/dbraw/zinc/13/10/58/555131058.db2.gz QMHDHWVBSKKDIG-MNHGUUTPSA-N 0 0 594.620 4.870 40 30 KJEBRN CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC(C)=O)cc2)[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000102893598 555131052 /nfs/dbraw/zinc/13/10/52/555131052.db2.gz QMHDHWVBSKKDIG-ZOBNFCAWSA-N 0 0 594.620 4.870 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102909196 555141988 /nfs/dbraw/zinc/14/19/88/555141988.db2.gz BKZWERMYSXCICS-HTIOANAFSA-N 0 0 523.634 4.772 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102909198 555141957 /nfs/dbraw/zinc/14/19/57/555141957.db2.gz BKZWERMYSXCICS-CDXKIXKWSA-N 0 0 523.634 4.772 40 30 KJEBRN C/C(=N\n1c(-c2ccc(OC(F)F)cc2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1 ZINC000102909217 555141990 /nfs/dbraw/zinc/14/19/90/555141990.db2.gz BZRPGLPIHMGYAP-GIKAFVAFSA-N 0 0 585.658 4.739 40 30 KJEBRN CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921088 555146288 /nfs/dbraw/zinc/14/62/88/555146288.db2.gz JCJPKPCNDGWYBW-QSPIDWHTSA-N 0 0 512.035 4.508 40 30 KJEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921092 555146377 /nfs/dbraw/zinc/14/63/77/555146377.db2.gz JCJPKPCNDGWYBW-DQQTXVFNSA-N 0 0 512.035 4.508 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921106 555146333 /nfs/dbraw/zinc/14/63/33/555146333.db2.gz PNKDGQRLKZMWGL-LGJNZZPWSA-N 0 0 550.641 4.542 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921114 555146359 /nfs/dbraw/zinc/14/63/59/555146359.db2.gz PNKDGQRLKZMWGL-ZUUZFAMYSA-N 0 0 550.641 4.542 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921396 555146766 /nfs/dbraw/zinc/14/67/66/555146766.db2.gz PIQYCBDBIPKEAK-CPIOINKZSA-N 0 0 505.644 4.633 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921400 555146732 /nfs/dbraw/zinc/14/67/32/555146732.db2.gz PIQYCBDBIPKEAK-UOQRGHJQSA-N 0 0 505.644 4.633 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921405 555146850 /nfs/dbraw/zinc/14/68/50/555146850.db2.gz KFIMAISRYKOVEV-VMKRRHCASA-N 0 0 547.681 4.836 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921410 555146840 /nfs/dbraw/zinc/14/68/40/555146840.db2.gz KFIMAISRYKOVEV-NZZWQWAQSA-N 0 0 547.681 4.836 40 30 KJEBRN CCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921494 555146953 /nfs/dbraw/zinc/14/69/53/555146953.db2.gz FBVNRIBZSMOYMG-HNOWIDAKSA-N 0 0 545.587 4.874 40 30 KJEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102921500 555146954 /nfs/dbraw/zinc/14/69/54/555146954.db2.gz FBVNRIBZSMOYMG-VPEWXMBWSA-N 0 0 545.587 4.874 40 30 KJEBRN C/C(=N\n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000102923811 555148217 /nfs/dbraw/zinc/14/82/17/555148217.db2.gz QLONEBLKVOZSGY-DMZKXCPHSA-N 0 0 588.671 4.522 40 30 KJEBRN CCc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)o3)C(=O)N2CCOC)cc1 ZINC000102923933 555148496 /nfs/dbraw/zinc/14/84/96/555148496.db2.gz KJUXKXSCPPNBDW-FFKKSUQSSA-N 0 0 581.716 4.780 40 30 KJEBRN COc1ccc(NS(=O)(=O)c2ccc(NNC(=CC(=O)Nc3cccnc3)c3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000102924149 555148484 /nfs/dbraw/zinc/14/84/84/555148484.db2.gz HRMBYHBDCRIJIN-GDWJVWIDSA-N 0 0 560.592 4.644 40 30 KJEBRN N#Cc1ccc(COc2ccc(Cl)cc2CN=Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000102925849 555150225 /nfs/dbraw/zinc/15/02/25/555150225.db2.gz PWPZYCLDKQHAIE-LQKURTRISA-N 0 0 540.001 4.929 40 30 KJEBRN Cc1c(/N=c2\scc(-c3cccs3)n2/N=C2/c3ccccc3N(C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000102925870 555150216 /nfs/dbraw/zinc/15/02/16/555150216.db2.gz ODHQASKMGUHXEP-JVISOWPESA-N 0 0 526.647 4.537 40 30 KJEBRN COc1ccc(/N=C2\S/C(=C/c3ccc(Br)cc3)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102926623 555151173 /nfs/dbraw/zinc/15/11/73/555151173.db2.gz MZPSBWWZKLXFDP-GVPYCIPCSA-N 0 0 516.461 4.784 40 30 KJEBRN CCN(CC)S(=O)(=O)c1cc(C(=O)/N=C2\c3ccccc3CN2c2ccc(C#N)cc2)ccc1Cl ZINC000102928369 555153716 /nfs/dbraw/zinc/15/37/16/555153716.db2.gz JVIKMOJTJMHYFH-XLVZBRSZSA-N 0 0 507.015 4.849 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccccc1[N+](=O)[O-] ZINC000102928650 555154475 /nfs/dbraw/zinc/15/44/75/555154475.db2.gz QPDNEINGZGYREL-QPHCSXNPSA-N 0 0 515.548 4.661 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccccc1[N+](=O)[O-] ZINC000102928654 555154437 /nfs/dbraw/zinc/15/44/37/555154437.db2.gz QPDNEINGZGYREL-XTZQWVRSSA-N 0 0 515.548 4.661 40 30 KJEBRN CCc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000102930388 555157028 /nfs/dbraw/zinc/15/70/28/555157028.db2.gz UAARTBMIOVTEOJ-BZMJXYAHSA-N 0 0 517.651 4.654 40 30 KJEBRN CCc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000102930396 555157058 /nfs/dbraw/zinc/15/70/58/555157058.db2.gz UAARTBMIOVTEOJ-IVDUGRTRSA-N 0 0 517.651 4.654 40 30 KJEBRN O=S(=O)(c1ccc(Cl)c(/N=C/c2ccc(N3CCC(c4ccccc4)=N3)cc2)c1)N1CCOCC1 ZINC000102934193 555161492 /nfs/dbraw/zinc/16/14/92/555161492.db2.gz UPEUXRRQDZFCNE-TURZUDJPSA-N 0 0 509.031 4.726 40 30 KJEBRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(C)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000102934917 555162224 /nfs/dbraw/zinc/16/22/24/555162224.db2.gz KZAOLOOLWWORRC-VUTHCHCSSA-N 0 0 516.623 4.628 40 30 KJEBRN O=[N+]([O-])c1cccc(/C=N\n2cnnc2S[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000102935936 555163291 /nfs/dbraw/zinc/16/32/91/555163291.db2.gz GMXGBOHEHIOPQE-RMWBRQFISA-N 0 0 543.030 4.534 40 30 KJEBRN O=[N+]([O-])c1cccc(/C=N\n2cnnc2S[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000102935939 555163333 /nfs/dbraw/zinc/16/33/33/555163333.db2.gz GMXGBOHEHIOPQE-DHNPSKQRSA-N 0 0 543.030 4.534 40 30 KJEBRN COc1ccc(/C=N/c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1OCc1ccccc1 ZINC000102938539 555167053 /nfs/dbraw/zinc/16/70/53/555167053.db2.gz SRUXCTPOEHZTPM-MWAVMZGNSA-N 0 0 535.666 4.646 40 30 KJEBRN CCOC(=O)C(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1nn2c(nc(=O)c3ccccc32)s1 ZINC000102938581 555167203 /nfs/dbraw/zinc/16/72/03/555167203.db2.gz CYYYUZSNYKKOIZ-BVMLUPFRSA-N 0 0 557.432 4.556 40 30 KJEBRN O=S(=O)(c1ccc(N2CCCC2)c(/N=C/c2ccc(OCc3ccccc3)cc2)c1)N1CCOCC1 ZINC000102938633 555167156 /nfs/dbraw/zinc/16/71/56/555167156.db2.gz BEBHMEYSDKQXRK-XHLNEMQHSA-N 0 0 505.640 4.637 40 30 KJEBRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)/N=C3\N=C4C=CC(Cl)=CN4Cc4ccccc43)c2)cc1 ZINC000102944278 555171192 /nfs/dbraw/zinc/17/11/92/555171192.db2.gz UANBLFJAIZUECW-BXVZCJGGSA-N 0 0 533.009 4.947 40 30 KJEBRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=C2/N=C3C=CC(Cl)=CN3Cc3ccccc32)cc1 ZINC000102944388 555171214 /nfs/dbraw/zinc/17/12/14/555171214.db2.gz RGRKZWNRGIRSGT-XLVZBRSZSA-N 0 0 511.047 4.948 40 30 KJEBRN O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[C@@H](C(=O)c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21 ZINC000102944582 555171420 /nfs/dbraw/zinc/17/14/20/555171420.db2.gz UBKLJIUHBTWPQD-DJUQAAIZSA-N 0 0 563.949 4.765 40 30 KJEBRN O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[C@H](C(=O)c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21 ZINC000102944584 555171367 /nfs/dbraw/zinc/17/13/67/555171367.db2.gz UBKLJIUHBTWPQD-JHOBJCJYSA-N 0 0 563.949 4.765 40 30 KJEBRN O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[C@@H](C(=O)c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21 ZINC000102944586 555171423 /nfs/dbraw/zinc/17/14/23/555171423.db2.gz UBKLJIUHBTWPQD-WVXBCFDCSA-N 0 0 563.949 4.765 40 30 KJEBRN O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[C@H](C(=O)c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21 ZINC000102944587 555171363 /nfs/dbraw/zinc/17/13/63/555171363.db2.gz UBKLJIUHBTWPQD-YUDQIZAISA-N 0 0 563.949 4.765 40 30 KJEBRN O=C(/N=C1/N=C2C=CC(I)=CN2Cc2ccccc21)c1cc(F)c(F)c(F)c1F ZINC000102945047 555171436 /nfs/dbraw/zinc/17/14/36/555171436.db2.gz PYICYFNLQGQKFN-ZXVVBBHZSA-N 0 0 511.216 4.890 40 30 KJEBRN Cc1c(/N=C/c2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C ZINC000102946588 555171934 /nfs/dbraw/zinc/17/19/34/555171934.db2.gz OYWMKSUVOXNGNR-STBIYBPSSA-N 0 0 511.490 4.859 40 30 KJEBRN N=C1N=C(c2ccccc2)/C(=N\Nc2cccc(S(=O)(=O)Nc3ccc(I)cc3)c2)S1 ZINC000102949393 555172461 /nfs/dbraw/zinc/17/24/61/555172461.db2.gz CELKOWRLKCPJRD-RPEWCTTMSA-N 0 0 561.430 4.988 40 30 KJEBRN CC(=O)C(N=Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000102949623 555172749 /nfs/dbraw/zinc/17/27/49/555172749.db2.gz AXHQOZZKIXPHAB-SZXQPVLSSA-N 0 0 505.383 4.790 40 30 KJEBRN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102957311 555174228 /nfs/dbraw/zinc/17/42/28/555174228.db2.gz HZNZAILIVUWXLO-DHRITJCHSA-N 0 0 513.834 4.912 40 30 KJEBRN Cc1ccc(C)c(/C=N/n2c(-c3ccc4c(c3)NC(=O)CO4)cs/c2=N\c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000102959932 555175389 /nfs/dbraw/zinc/17/53/89/555175389.db2.gz UAFVIPBDJOJTON-HXBVPTSYSA-N 0 0 561.689 4.529 40 30 KJEBRN Cc1[nH]c2ccccc2c1/C=N/n1c(-c2ccc3c(c2)NC(=O)CO3)cs/c1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000102959944 555175344 /nfs/dbraw/zinc/17/53/44/555175344.db2.gz OAJFKQJXHRGYIP-MDIMHLADSA-N 0 0 586.699 4.702 40 30 KJEBRN COc1cc(-c2cs/c(=N\C3CCCCC3)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1OC ZINC000102960149 555175591 /nfs/dbraw/zinc/17/55/91/555175591.db2.gz HRDDUNKSCSYATL-MSLOYFNFSA-N 0 0 540.598 4.995 40 30 KJEBRN COc1cc(/C=N/n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N/C2CC2)ccc1OCc1ccccc1 ZINC000102960970 555176391 /nfs/dbraw/zinc/17/63/91/555176391.db2.gz VOLLFKCOUININK-WUIBPDFCSA-N 0 0 514.607 4.554 40 30 KJEBRN COCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S/C1=N/c1ccc(SC(F)F)cc1 ZINC000102961384 555177114 /nfs/dbraw/zinc/17/71/14/555177114.db2.gz SKQKZRBSCMGLQA-IWZUTMLHSA-N 0 0 540.570 4.525 40 30 KJEBRN COCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S/C1=N/c1ccc(SC(F)F)cc1 ZINC000102961387 555177132 /nfs/dbraw/zinc/17/71/32/555177132.db2.gz SKQKZRBSCMGLQA-JJEKXKKKSA-N 0 0 540.570 4.525 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC)cc1 ZINC000102961590 555177545 /nfs/dbraw/zinc/17/75/45/555177545.db2.gz CEDYVZXBTXBRFW-BUOZQURKSA-N 0 0 500.577 4.761 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC)cc1 ZINC000102961594 555177562 /nfs/dbraw/zinc/17/75/62/555177562.db2.gz CEDYVZXBTXBRFW-OVRHBKGWSA-N 0 0 500.577 4.761 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)S/C2=N/c2ccc(OC)cc2)cc1 ZINC000102961650 555177540 /nfs/dbraw/zinc/17/75/40/555177540.db2.gz MZKGWQBNFWFENN-QZBXLYOJSA-N 0 0 519.623 4.915 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S/C2=N/c2ccc(F)cc2)cc1 ZINC000102961856 555177775 /nfs/dbraw/zinc/17/77/75/555177775.db2.gz UYZIMNKSUZUDJW-ROBQPBDMSA-N 0 0 552.584 4.954 40 30 KJEBRN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S/C2=N/c2ccc(F)cc2)cc1 ZINC000102961858 555177833 /nfs/dbraw/zinc/17/78/33/555177833.db2.gz UYZIMNKSUZUDJW-VDZPOYGUSA-N 0 0 552.584 4.954 40 30 KJEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC(F)F)cc1 ZINC000102961940 555178027 /nfs/dbraw/zinc/17/80/27/555178027.db2.gz GQHVDXGSTVYUMI-FGGSVNHKSA-N 0 0 508.503 4.575 40 30 KJEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC(F)F)cc1 ZINC000102961942 555178019 /nfs/dbraw/zinc/17/80/19/555178019.db2.gz GQHVDXGSTVYUMI-UEAMBXKFSA-N 0 0 508.503 4.575 40 30 KJEBRN CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C(F)(F)F ZINC000102963042 555179114 /nfs/dbraw/zinc/17/91/14/555179114.db2.gz QYTBOPAGKMYCEE-WBWXLFFHSA-N 0 0 611.627 4.885 40 30 KJEBRN CCOc1ccccc1-n1c(=O)/c(=C\c2ccc(NC(C)=O)cc2)s/c1=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000102963223 555179385 /nfs/dbraw/zinc/17/93/85/555179385.db2.gz CKYGVVANJHROKO-SKPNWLIISA-N 0 0 593.492 4.705 40 30 KJEBRN COc1cc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)n(-c3ccc(C)cc3)c2=O)ccc1OC(F)F ZINC000102963511 555179598 /nfs/dbraw/zinc/17/95/98/555179598.db2.gz QJHWNQWTVPHGFK-XHCCCDPUSA-N 0 0 561.610 4.576 40 30 KJEBRN CCCc1ccc(C(=O)/C(C#N)=c2\s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000102963641 555179590 /nfs/dbraw/zinc/17/95/90/555179590.db2.gz LVMXGGCUFGKRRU-KKPLQKKJSA-N 0 0 543.044 4.677 40 30 KJEBRN N#C/C(c1nnc2n1CCCCC2)=c1/s/c(=C\c2ccc(-c3ccc(Br)cc3)o2)c(=O)n1-c1ccccc1 ZINC000102963903 555179790 /nfs/dbraw/zinc/17/97/90/555179790.db2.gz IMKXYFWPCTVMTD-QGODZWJASA-N 0 0 584.499 4.791 40 30 KJEBRN CCc1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2-c2cccc(C)c2)cc1 ZINC000102964019 555180001 /nfs/dbraw/zinc/18/00/01/555180001.db2.gz WAZGJIVJZZAYPG-JSTWGCDDSA-N 0 0 561.610 4.522 40 30 KJEBRN COC(=O)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccc(F)c(Cl)c3)n(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000102964036 555179946 /nfs/dbraw/zinc/17/99/46/555179946.db2.gz FRCPGJAEPGMEFN-UTUZSCQESA-N 0 0 576.049 4.743 40 30 KJEBRN C/C(=N\NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)Cc1ccccc1-2 ZINC000102977277 555186603 /nfs/dbraw/zinc/18/66/03/555186603.db2.gz UNPFKVKPZARGJS-STBIYBPSSA-N 0 0 541.098 4.643 40 30 KJEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCC(=O)N(C)C ZINC000102979665 555187464 /nfs/dbraw/zinc/18/74/64/555187464.db2.gz DIZQBGHVPPIOOC-KIBLKLHPSA-N 0 0 533.301 4.688 40 30 KJEBRN CC(C)CN1C(=O)C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2Cl)c2ccccc21 ZINC000102982659 555188783 /nfs/dbraw/zinc/18/87/83/555188783.db2.gz IVEQSPWSOUHBRX-VYIQYICTSA-N 0 0 527.990 4.868 40 30 KJEBRN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000102982673 555188774 /nfs/dbraw/zinc/18/87/74/555188774.db2.gz QIBLBAYDYPOPJS-YZSQISJMSA-N 0 0 530.006 4.722 40 30 KJEBRN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 ZINC000102982975 555188897 /nfs/dbraw/zinc/18/88/97/555188897.db2.gz QPOMAAUQRUEFMQ-JVWAILMASA-N 0 0 561.016 4.953 40 30 KJEBRN COc1cc(C(C)N=Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000102983159 555188952 /nfs/dbraw/zinc/18/89/52/555188952.db2.gz GGZVVNGLNLUMEE-AFUMVMLFSA-N 0 0 534.978 4.911 40 30 KJEBRN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1 ZINC000102983298 555189209 /nfs/dbraw/zinc/18/92/09/555189209.db2.gz HKQZPOTWQYWWJN-VUTHCHCSSA-N 0 0 575.651 4.945 40 30 KJEBRN CCN(CC)S(=O)(=O)c1ccc(NN=C2c3ccccc3N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000102983383 555189223 /nfs/dbraw/zinc/18/92/23/555189223.db2.gz IRXISHVMXNOAOZ-ZZIIXHQDSA-N 0 0 542.017 4.642 40 30 KJEBRN CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000102983385 555189260 /nfs/dbraw/zinc/18/92/60/555189260.db2.gz BRHJQBJLWBMCMW-BRJLIKDPSA-N 0 0 522.477 4.664 40 30 KJEBRN CCOc1ccc(Oc2c(CN=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c(C)nn2-c2ccccc2)cc1 ZINC000102983696 555189421 /nfs/dbraw/zinc/18/94/21/555189421.db2.gz PIJQLWAVRIKTTA-COEJQBHMSA-N 0 0 606.661 4.747 40 30 KJEBRN CCOc1ccc(Oc2c(CN=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c(C)nn2-c2ccccc2)cc1 ZINC000102983699 555189393 /nfs/dbraw/zinc/18/93/93/555189393.db2.gz PIJQLWAVRIKTTA-TWKHWXDSSA-N 0 0 606.661 4.747 40 30 KJEBRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000102983730 555189713 /nfs/dbraw/zinc/18/97/13/555189713.db2.gz NWQZEDVQAVIWDF-RDRPBHBLSA-N 0 0 572.603 4.661 40 30 KJEBRN CC(N=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 ZINC000102983775 555189649 /nfs/dbraw/zinc/18/96/49/555189649.db2.gz NYTATPVPDYBBDJ-WGOQTCKBSA-N 0 0 525.612 4.660 40 30 KJEBRN CCCCCCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000102983835 555189678 /nfs/dbraw/zinc/18/96/78/555189678.db2.gz OUHGDUOGXCMYCO-LHLOQNFPSA-N 0 0 518.636 4.801 40 30 KJEBRN NS(=O)(=O)c1ccc(N=NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000102984440 555190155 /nfs/dbraw/zinc/19/01/55/555190155.db2.gz SHDZMAULALTQPE-STBIYBPSSA-N 0 0 532.578 4.846 40 30 KJEBRN CCCCCN1c2ccccc2C(=NNc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])C1=O ZINC000102985373 555190501 /nfs/dbraw/zinc/19/05/01/555190501.db2.gz YEZTVVBYUFSMNZ-FVDSYPCUSA-N 0 0 537.598 4.757 40 30 KJEBRN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3ccc(OC(=O)c4ccco4)c(OC)c3)c([N+](=O)[O-])c2)cc1 ZINC000102985393 555190469 /nfs/dbraw/zinc/19/04/69/555190469.db2.gz NJWKCCRXNFCABL-JVWAILMASA-N 0 0 566.548 4.671 40 30 KJEBRN COc1ccc(NS(=O)(=O)c2ccc(NN=C3c4ccccc4N(Cc4ccccc4)C3=O)c([N+](=O)[O-])c2)cc1 ZINC000102985473 555190417 /nfs/dbraw/zinc/19/04/17/555190417.db2.gz OQHGKPRPEYUTMP-KDJFERLWSA-N 0 0 557.588 4.767 40 30 KJEBRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000102985513 555190724 /nfs/dbraw/zinc/19/07/24/555190724.db2.gz SLGCPSPTVIYOQS-PCLIKHOPSA-N 0 0 522.612 4.740 40 30 KJEBRN Cc1cc(CN=Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1-c1ccc(I)cc1 ZINC000102985517 555190722 /nfs/dbraw/zinc/19/07/22/555190722.db2.gz GSTMFRAWESWQTP-MFKUBSTISA-N 0 0 593.447 4.837 40 30 KJEBRN Cc1nn(-c2ccccc2Cl)c(Cl)c1CN=Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000102985524 555190671 /nfs/dbraw/zinc/19/06/71/555190671.db2.gz RXSMFHVLZJAPFT-ZMOGYAJESA-N 0 0 523.402 4.626 40 30 KJEBRN COc1ccc([C@@H](C(=O)C(=O)CC2N(C)c3ccccc3C2(C)C)N2CCN(c3ccccc3F)CC2)cc1 ZINC000102994076 555194057 /nfs/dbraw/zinc/19/40/57/555194057.db2.gz BFQGCOAYZZVPBB-KETJUNMQSA-N 0 0 529.656 4.939 40 30 KJEBRN CCOC(=O)c1sc(N=NC(C(C)=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c(C(=O)OCC)c1C ZINC000103006947 555204341 /nfs/dbraw/zinc/20/43/41/555204341.db2.gz WFJLEJFQSSCWHH-IGDULAENSA-N 0 0 591.708 4.769 40 30 KJEBRN CCOC(=O)c1sc(N=NC(C(C)=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c(C(=O)OCC)c1C ZINC000103006949 555204352 /nfs/dbraw/zinc/20/43/52/555204352.db2.gz WFJLEJFQSSCWHH-VYKBWVGWSA-N 0 0 591.708 4.769 40 30 KJEBRN CC[C@@H]1CS/C(=N\c2ccc(OC)cc2)N1C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000103028908 555218003 /nfs/dbraw/zinc/21/80/03/555218003.db2.gz JQBSRGTYVWOCQB-GGBVODQZSA-N 0 0 506.605 4.728 40 30 KJEBRN CC[C@H]1CS/C(=N\c2ccc(OC)cc2)N1C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000103028911 555218022 /nfs/dbraw/zinc/21/80/22/555218022.db2.gz JQBSRGTYVWOCQB-GNYBCZIXSA-N 0 0 506.605 4.728 40 30 KJEBRN CCOc1cc(Br)c(Br)c(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1O ZINC000103301023 555355799 /nfs/dbraw/zinc/35/57/99/555355799.db2.gz HYVWJVQLXUQFDN-QFEZKATASA-N 0 0 583.329 4.928 40 30 KJEBRN CCOc1cc(Br)c(Br)c(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCOCC3)n2)c1O ZINC000103301029 555355789 /nfs/dbraw/zinc/35/57/89/555355789.db2.gz INZSUPNERYIGBG-MXAYSNPKSA-N 0 0 593.280 4.527 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000103317411 555358415 /nfs/dbraw/zinc/35/84/15/555358415.db2.gz MROLUQNWGGTXLZ-CEUNXORHSA-N 0 0 546.632 4.794 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103512609 555422282 /nfs/dbraw/zinc/42/22/82/555422282.db2.gz DQQVYCFENVLXHV-FXSWLTOZSA-N 0 0 526.951 4.857 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103512611 555422323 /nfs/dbraw/zinc/42/23/23/555422323.db2.gz DQQVYCFENVLXHV-ROXDYWFKSA-N 0 0 526.951 4.857 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103512616 555422315 /nfs/dbraw/zinc/42/23/15/555422315.db2.gz DQQVYCFENVLXHV-ASDGIDEWSA-N 0 0 526.951 4.857 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000103518442 555424018 /nfs/dbraw/zinc/42/40/18/555424018.db2.gz HUFPYTXLTSLDTA-IAOUMNOZSA-N 0 0 562.688 4.549 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000103518446 555423942 /nfs/dbraw/zinc/42/39/42/555423942.db2.gz HUFPYTXLTSLDTA-RYOBIWAXSA-N 0 0 562.688 4.549 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103526514 555428662 /nfs/dbraw/zinc/42/86/62/555428662.db2.gz RGLJPLOSORMVDC-FXSWLTOZSA-N 0 0 526.951 4.857 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103526520 555428735 /nfs/dbraw/zinc/42/87/35/555428735.db2.gz RGLJPLOSORMVDC-ROXDYWFKSA-N 0 0 526.951 4.857 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103526528 555428649 /nfs/dbraw/zinc/42/86/49/555428649.db2.gz RGLJPLOSORMVDC-ASDGIDEWSA-N 0 0 526.951 4.857 40 30 KJEBRN N#CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000103532328 555432946 /nfs/dbraw/zinc/43/29/46/555432946.db2.gz ZAZCTYJSEIKFAA-HQMQMYHNSA-N 0 0 552.590 4.966 40 30 KJEBRN N#CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103532334 555432839 /nfs/dbraw/zinc/43/28/39/555432839.db2.gz ZAZCTYJSEIKFAA-KHLUAOTOSA-N 0 0 552.590 4.966 40 30 KJEBRN N#Cc1c2c(sc1NC(=O)CCSc1nnc(Cn3nnc4ccccc43)n1-c1ccccc1)CCCC2 ZINC000103540088 555438079 /nfs/dbraw/zinc/43/80/79/555438079.db2.gz QYOZMNGZNJTAQU-UHFFFAOYSA-N 0 0 540.678 4.993 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103540429 555438094 /nfs/dbraw/zinc/43/80/94/555438094.db2.gz PDKSISDXLDTXHJ-FXSWLTOZSA-N 0 0 553.958 4.626 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103540435 555438134 /nfs/dbraw/zinc/43/81/34/555438134.db2.gz PDKSISDXLDTXHJ-ROXDYWFKSA-N 0 0 553.958 4.626 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103540444 555438131 /nfs/dbraw/zinc/43/81/31/555438131.db2.gz PDKSISDXLDTXHJ-ASDGIDEWSA-N 0 0 553.958 4.626 40 30 KJEBRN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000103540546 555438112 /nfs/dbraw/zinc/43/81/12/555438112.db2.gz BYNUOZWWDPQLIV-FXSWLTOZSA-N 0 0 571.402 4.966 40 30 KJEBRN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000103540554 555438083 /nfs/dbraw/zinc/43/80/83/555438083.db2.gz BYNUOZWWDPQLIV-ROXDYWFKSA-N 0 0 571.402 4.966 40 30 KJEBRN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000103540565 555438116 /nfs/dbraw/zinc/43/81/16/555438116.db2.gz BYNUOZWWDPQLIV-ASDGIDEWSA-N 0 0 571.402 4.966 40 30 KJEBRN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@@H]34)C2O)cc1 ZINC000103543743 555439601 /nfs/dbraw/zinc/43/96/01/555439601.db2.gz CDSGCMRIHZXVSV-HFLBTKGNSA-N 0 0 550.998 4.921 40 30 KJEBRN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@@H]34)C2O)cc1 ZINC000103543752 555439721 /nfs/dbraw/zinc/43/97/21/555439721.db2.gz CDSGCMRIHZXVSV-BPXGVECKSA-N 0 0 550.998 4.921 40 30 KJEBRN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000103543762 555439714 /nfs/dbraw/zinc/43/97/14/555439714.db2.gz CDSGCMRIHZXVSV-GCFVYEKYSA-N 0 0 550.998 4.921 40 30 KJEBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103547323 555441669 /nfs/dbraw/zinc/44/16/69/555441669.db2.gz PJQYFMYJOVQWMR-FXSWLTOZSA-N 0 0 553.958 4.626 40 30 KJEBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103547330 555441661 /nfs/dbraw/zinc/44/16/61/555441661.db2.gz PJQYFMYJOVQWMR-ROXDYWFKSA-N 0 0 553.958 4.626 40 30 KJEBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103547341 555441574 /nfs/dbraw/zinc/44/15/74/555441574.db2.gz PJQYFMYJOVQWMR-ASDGIDEWSA-N 0 0 553.958 4.626 40 30 KJEBRN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@@H]34)C2O)cc1 ZINC000103549519 555442760 /nfs/dbraw/zinc/44/27/60/555442760.db2.gz UNWJUYYXCJWMEJ-YAOOYPAMSA-N 0 0 583.438 4.836 40 30 KJEBRN COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@@H]34)C2O)cc1 ZINC000103549523 555442777 /nfs/dbraw/zinc/44/27/77/555442777.db2.gz UNWJUYYXCJWMEJ-NFGXINMFSA-N 0 0 583.438 4.836 40 30 KJEBRN COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000103549532 555442659 /nfs/dbraw/zinc/44/26/59/555442659.db2.gz UNWJUYYXCJWMEJ-RAVGUYNFSA-N 0 0 583.438 4.836 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000103552635 555444535 /nfs/dbraw/zinc/44/45/35/555444535.db2.gz OFAQWAKBQTWRLJ-FXSWLTOZSA-N 0 0 571.402 4.966 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000103552642 555444467 /nfs/dbraw/zinc/44/44/67/555444467.db2.gz OFAQWAKBQTWRLJ-ROXDYWFKSA-N 0 0 571.402 4.966 40 30 KJEBRN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000103552655 555444876 /nfs/dbraw/zinc/44/48/76/555444876.db2.gz OFAQWAKBQTWRLJ-ASDGIDEWSA-N 0 0 571.402 4.966 40 30 KJEBRN COc1cccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cc(S(N)(=O)=O)ccc3C)c2C#N)c1OC ZINC000103557071 555446606 /nfs/dbraw/zinc/44/66/06/555446606.db2.gz APFDOFOFNBUJQR-UHFFFAOYSA-N 0 0 574.684 4.991 40 30 KJEBRN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(OC)c(Br)c4)N4C=CC(C(=O)c5ccccc5)=C[C@@H]34)C2O)cc1 ZINC000103562661 555449499 /nfs/dbraw/zinc/44/94/99/555449499.db2.gz PSZJESILQDUURU-VWEWBFCZSA-N 0 0 613.464 4.844 40 30 KJEBRN COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(OC)c(Br)c4)N4C=CC(C(=O)c5ccccc5)=C[C@@H]34)C2O)cc1 ZINC000103562665 555449559 /nfs/dbraw/zinc/44/95/59/555449559.db2.gz PSZJESILQDUURU-WOHWVRMTSA-N 0 0 613.464 4.844 40 30 KJEBRN COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(OC)c(Br)c4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000103562672 555449456 /nfs/dbraw/zinc/44/94/56/555449456.db2.gz PSZJESILQDUURU-NXBJLNSTSA-N 0 0 613.464 4.844 40 30 KJEBRN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000103562779 555449803 /nfs/dbraw/zinc/44/98/03/555449803.db2.gz RZBCFKXJEQWHAQ-NSBPXKJOSA-N 0 0 539.544 4.546 40 30 KJEBRN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103562785 555449779 /nfs/dbraw/zinc/44/97/79/555449779.db2.gz RZBCFKXJEQWHAQ-UUROJUAVSA-N 0 0 539.544 4.546 40 30 KJEBRN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103562793 555449723 /nfs/dbraw/zinc/44/97/23/555449723.db2.gz RZBCFKXJEQWHAQ-HOSLJWMQSA-N 0 0 539.544 4.546 40 30 KJEBRN Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(Br)c3)[nH]2)c(Br)c1 ZINC000103563846 555450204 /nfs/dbraw/zinc/45/02/04/555450204.db2.gz ZIEGYZMKZSMVNH-ZVBGSRNCSA-N 0 0 524.242 4.815 40 30 KJEBRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(NN=Cc3cc(Br)ccc3O)[nH]1)CCCC2 ZINC000103566179 555450508 /nfs/dbraw/zinc/45/05/08/555450508.db2.gz IQNLQFNPKRVLHN-YSURURNPSA-N 0 0 579.502 4.567 40 30 KJEBRN C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000103573813 555450806 /nfs/dbraw/zinc/45/08/06/555450806.db2.gz QJMBOOLWYLECBB-LHZZAWLBSA-N 0 0 573.657 4.643 40 30 KJEBRN C[C@@H]1C[C@@H](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 ZINC000103573820 555450791 /nfs/dbraw/zinc/45/07/91/555450791.db2.gz QJMBOOLWYLECBB-UTAHIEMPSA-N 0 0 573.657 4.643 40 30 KJEBRN CC[C@]1(C)C[C@@H](OC(=O)COS(=O)(=O)c2ccc(C)cc2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000103598164 555453944 /nfs/dbraw/zinc/45/39/44/555453944.db2.gz LLYWPLUTWPBBOB-SKJCYMNFSA-N 0 0 534.715 4.831 40 30 in-vitro KJEBRN COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3nc4ccc(Br)cc4s3)[nH]2)cc1 ZINC000103598206 555453897 /nfs/dbraw/zinc/45/38/97/555453897.db2.gz JAZWYXGSZXAQEZ-OPEKNORGSA-N 0 0 532.449 4.752 40 30 KJEBRN C=CCn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000103602313 555454405 /nfs/dbraw/zinc/45/44/05/555454405.db2.gz XKWWIXFNURGEPJ-GTWFGUSFSA-N 0 0 532.065 4.901 40 30 KJEBRN C=CCn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000103602317 555454339 /nfs/dbraw/zinc/45/43/39/555454339.db2.gz XKWWIXFNURGEPJ-SJJVXOANSA-N 0 0 532.065 4.901 40 30 KJEBRN O=S(=O)(CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103624057 555457360 /nfs/dbraw/zinc/45/73/60/555457360.db2.gz XONFSEOHZGSMJG-UHFFFAOYSA-N 0 0 580.209 4.625 40 30 KJEBRN CCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103652393 555461283 /nfs/dbraw/zinc/46/12/83/555461283.db2.gz NSAFUDAPGVUPIP-UHFFFAOYSA-N 0 0 585.276 4.987 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br ZINC000103722745 555465086 /nfs/dbraw/zinc/46/50/86/555465086.db2.gz ZUFCNTYHAMPBOS-UHFFFAOYSA-N 0 0 574.501 4.521 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000103722977 555465096 /nfs/dbraw/zinc/46/50/96/555465096.db2.gz CXVFMUGFGOSYIQ-UHFFFAOYSA-N 0 0 580.892 4.558 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C ZINC000103724065 555465359 /nfs/dbraw/zinc/46/53/59/555465359.db2.gz BJLDGFQKOTUGCE-UHFFFAOYSA-N 0 0 574.501 4.521 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000103724442 555465285 /nfs/dbraw/zinc/46/52/85/555465285.db2.gz VJZAAQFCIWEOOI-UHFFFAOYSA-N 0 0 569.993 4.814 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000103724575 555465332 /nfs/dbraw/zinc/46/53/32/555465332.db2.gz KPVYWRBZKYNZDJ-UHFFFAOYSA-N 0 0 574.501 4.521 40 30 KJEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000103750774 555467537 /nfs/dbraw/zinc/46/75/37/555467537.db2.gz YFDMXTQRCHMXHA-KMBIYUNPSA-N 0 0 592.515 4.710 40 30 KJEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000103750777 555467570 /nfs/dbraw/zinc/46/75/70/555467570.db2.gz YFDMXTQRCHMXHA-GVMLUORFSA-N 0 0 592.515 4.710 40 30 KJEBRN O=C(CSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1)NC[C@@H]1CCCO1 ZINC000103754728 555469161 /nfs/dbraw/zinc/46/91/61/555469161.db2.gz FSYARRBNFNOCCF-VYPBGABDSA-N 0 0 553.447 4.744 40 30 KJEBRN O=C(CSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1)NC[C@H]1CCCO1 ZINC000103754732 555469103 /nfs/dbraw/zinc/46/91/03/555469103.db2.gz FSYARRBNFNOCCF-GENGVREBSA-N 0 0 553.447 4.744 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc(I)c1OC ZINC000103754899 555469156 /nfs/dbraw/zinc/46/91/56/555469156.db2.gz VSJRSQYIYMDCEY-RPPGKUMJSA-N 0 0 526.330 4.580 40 30 KJEBRN CCOc1c(I)cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1OC ZINC000103754906 555469166 /nfs/dbraw/zinc/46/91/66/555469166.db2.gz YMZWROQKVWOEAA-RPPGKUMJSA-N 0 0 526.330 4.580 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc(I)c1OCC ZINC000103754912 555469119 /nfs/dbraw/zinc/46/91/19/555469119.db2.gz BRVRZCXDSHJVFA-UVHMKAGCSA-N 0 0 540.357 4.971 40 30 KJEBRN CCCOc1c(I)cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1OC ZINC000103754918 555469056 /nfs/dbraw/zinc/46/90/56/555469056.db2.gz WINICDNQYPIFGG-UVHMKAGCSA-N 0 0 540.357 4.971 40 30 KJEBRN C=CCOc1c(I)cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1OC ZINC000103754928 555469068 /nfs/dbraw/zinc/46/90/68/555469068.db2.gz DSLNDXFFTJMKIS-UVHMKAGCSA-N 0 0 538.341 4.747 40 30 KJEBRN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000103755692 555469625 /nfs/dbraw/zinc/46/96/25/555469625.db2.gz UEHSWUJBFYFTIB-TWKHWXDSSA-N 0 0 574.642 4.824 40 30 KJEBRN COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000103755707 555469597 /nfs/dbraw/zinc/46/95/97/555469597.db2.gz IHYBJAHSLKJHIT-VUTHCHCSSA-N 0 0 546.632 4.794 40 30 KJEBRN COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OCc1ccccc1[N+](=O)[O-] ZINC000103755716 555469620 /nfs/dbraw/zinc/46/96/20/555469620.db2.gz KFMRAGXJDNINRZ-VUTHCHCSSA-N 0 0 546.632 4.794 40 30 KJEBRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000103763923 555472194 /nfs/dbraw/zinc/47/21/94/555472194.db2.gz RAWMUMKHKXEZQB-STBIYBPSSA-N 0 0 532.578 4.846 40 30 KJEBRN CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C1 ZINC000103764045 555472466 /nfs/dbraw/zinc/47/24/66/555472466.db2.gz ABGIOCMXARQYSC-QFCVIPEKSA-N 0 0 629.740 4.599 40 30 KJEBRN CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C1 ZINC000103764051 555472473 /nfs/dbraw/zinc/47/24/73/555472473.db2.gz ABGIOCMXARQYSC-RJGITAPLSA-N 0 0 629.740 4.599 40 30 KJEBRN CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000103764078 555472496 /nfs/dbraw/zinc/47/24/96/555472496.db2.gz YOSVQSVTFGUYGH-YDZHTSKRSA-N 0 0 558.623 4.960 40 30 KJEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000103764096 555472328 /nfs/dbraw/zinc/47/23/28/555472328.db2.gz NLHXZYWJIZUFIJ-MFKUBSTISA-N 0 0 600.660 4.731 40 30 KJEBRN CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 ZINC000103764106 555472365 /nfs/dbraw/zinc/47/23/65/555472365.db2.gz OWEONXPHPMWSFR-WGOQTCKBSA-N 0 0 613.703 4.646 40 30 KJEBRN COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 ZINC000103766017 555473161 /nfs/dbraw/zinc/47/31/61/555473161.db2.gz YHSOFCFXXLXYFF-ITIZVALFSA-N 0 0 549.992 4.654 40 30 KJEBRN COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 ZINC000103766023 555473116 /nfs/dbraw/zinc/47/31/16/555473116.db2.gz YHSOFCFXXLXYFF-YXDQGSNCSA-N 0 0 549.992 4.654 40 30 KJEBRN CN(C)S(=O)(=O)c1cc(/N=C/c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)ccc1N1CCCCC1 ZINC000103766932 555473319 /nfs/dbraw/zinc/47/33/19/555473319.db2.gz RZHFQCMIXJFCET-AWSUPERCSA-N 0 0 590.750 4.908 40 30 KJEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000103766988 555473347 /nfs/dbraw/zinc/47/33/47/555473347.db2.gz AESDVLSCVLVWCB-OGLMXYFKSA-N 0 0 594.631 4.669 40 30 KJEBRN CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)CC1 ZINC000103766998 555473716 /nfs/dbraw/zinc/47/37/16/555473716.db2.gz XRIZJMKPFQMXJL-RDRPBHBLSA-N 0 0 607.674 4.585 40 30 KJEBRN CC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 ZINC000103767087 555473686 /nfs/dbraw/zinc/47/36/86/555473686.db2.gz LELDREHCFMLCCC-CVLFLDGLSA-N 0 0 573.657 4.787 40 30 KJEBRN CC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 ZINC000103767092 555473788 /nfs/dbraw/zinc/47/37/88/555473788.db2.gz LELDREHCFMLCCC-PMFZIYJTSA-N 0 0 573.657 4.787 40 30 KJEBRN COc1cc(C=NN=c2nc3[nH]onc-3nc2Nc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000103782553 555476539 /nfs/dbraw/zinc/47/65/39/555476539.db2.gz FOLRSHPWMFLFPW-CCVNUDIWSA-N 0 0 563.571 4.735 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000103783775 555476589 /nfs/dbraw/zinc/47/65/89/555476589.db2.gz IAZALPLUEPTSOM-PDUUCECCSA-N 0 0 540.616 4.640 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000103783779 555476489 /nfs/dbraw/zinc/47/64/89/555476489.db2.gz IAZALPLUEPTSOM-KJANZVAVSA-N 0 0 540.616 4.640 40 30 KJEBRN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccc(Oc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000103786185 555477671 /nfs/dbraw/zinc/47/76/71/555477671.db2.gz QGNIVNAPXQVZEQ-UHFFFAOYSA-N 0 0 594.639 4.906 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000103786861 555477710 /nfs/dbraw/zinc/47/77/10/555477710.db2.gz YBAFXHJFQOWJCN-IMUCPKNRSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000103786866 555477749 /nfs/dbraw/zinc/47/77/49/555477749.db2.gz YBAFXHJFQOWJCN-DDIUQFJASA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000103786913 555477920 /nfs/dbraw/zinc/47/79/20/555477920.db2.gz OOZTXXRCGKWYPD-SELCLYCASA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000103786917 555477995 /nfs/dbraw/zinc/47/79/95/555477995.db2.gz OOZTXXRCGKWYPD-IVQFASICSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(C)n(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103787169 555478144 /nfs/dbraw/zinc/47/81/44/555478144.db2.gz SQZZDPHGSUKRFK-LJJBLSSYSA-N 0 0 585.007 4.781 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(C)n(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103787174 555478120 /nfs/dbraw/zinc/47/81/20/555478120.db2.gz SQZZDPHGSUKRFK-CVGPFBNFSA-N 0 0 585.007 4.781 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C(F)(F)F)N=2 ZINC000103788825 555478693 /nfs/dbraw/zinc/47/86/93/555478693.db2.gz PVADWVBFRJQOOR-CNSVBDKNSA-N 0 0 581.399 4.660 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C(F)(F)F)N=2 ZINC000103788830 555478680 /nfs/dbraw/zinc/47/86/80/555478680.db2.gz PVADWVBFRJQOOR-FNGUVFISSA-N 0 0 581.399 4.660 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103788845 555478616 /nfs/dbraw/zinc/47/86/16/555478616.db2.gz JOQORKAWQLFNEQ-JKALPCAWSA-N 0 0 582.387 4.550 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103788849 555478683 /nfs/dbraw/zinc/47/86/83/555478683.db2.gz JOQORKAWQLFNEQ-SQWSFHKJSA-N 0 0 582.387 4.550 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103789034 555478886 /nfs/dbraw/zinc/47/88/86/555478886.db2.gz XWQPJHNOLDAWAQ-JKALPCAWSA-N 0 0 612.413 4.558 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103789038 555478853 /nfs/dbraw/zinc/47/88/53/555478853.db2.gz XWQPJHNOLDAWAQ-SQWSFHKJSA-N 0 0 612.413 4.558 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OCC ZINC000103789051 555478905 /nfs/dbraw/zinc/47/89/05/555478905.db2.gz MNBOLGXABQMVKN-RNHBDSLOSA-N 0 0 593.023 4.958 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OCC ZINC000103789055 555478876 /nfs/dbraw/zinc/47/88/76/555478876.db2.gz MNBOLGXABQMVKN-FQWPPLDYSA-N 0 0 593.023 4.958 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c2ccccc21 ZINC000103789101 555478854 /nfs/dbraw/zinc/47/88/54/555478854.db2.gz VYIUORBRFVCGPO-LJJBLSSYSA-N 0 0 569.992 4.582 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c2ccccc21 ZINC000103789104 555478851 /nfs/dbraw/zinc/47/88/51/555478851.db2.gz VYIUORBRFVCGPO-CVGPFBNFSA-N 0 0 569.992 4.582 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cccc1OC ZINC000103789163 555479053 /nfs/dbraw/zinc/47/90/53/555479053.db2.gz CVZCEUCCYFLGTH-LUDQZLGDSA-N 0 0 578.996 4.568 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cccc1OC ZINC000103789168 555479163 /nfs/dbraw/zinc/47/91/63/555479163.db2.gz CVZCEUCCYFLGTH-PHJXOXRPSA-N 0 0 578.996 4.568 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000103822841 555482807 /nfs/dbraw/zinc/48/28/07/555482807.db2.gz BNYDCKMHGXEXFQ-LXYLXTGBSA-N 0 0 586.739 4.764 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000103822843 555482843 /nfs/dbraw/zinc/48/28/43/555482843.db2.gz BNYDCKMHGXEXFQ-XGLZOBASSA-N 0 0 586.739 4.764 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1Br ZINC000103827079 555482981 /nfs/dbraw/zinc/48/29/81/555482981.db2.gz FWDGWEFONVZKHM-BIWBSIMWSA-N 0 0 627.557 4.923 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1Br ZINC000103827081 555483015 /nfs/dbraw/zinc/48/30/15/555483015.db2.gz FWDGWEFONVZKHM-ZGOFBEGVSA-N 0 0 627.557 4.923 40 30 KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)c2ccccc21 ZINC000103827750 571362107 /nfs/dbraw/zinc/36/21/07/571362107.db2.gz ABIFOKNQAIWPMA-PKYOQBLNSA-N 0 0 571.699 4.736 40 30 KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)c2ccccc21 ZINC000103827756 571362022 /nfs/dbraw/zinc/36/20/22/571362022.db2.gz ABIFOKNQAIWPMA-USDTVRPUSA-N 0 0 571.699 4.736 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1 ZINC000103841386 571362243 /nfs/dbraw/zinc/36/22/43/571362243.db2.gz JRSQQRYZUXTYDB-LMTOTAIGSA-N 0 0 592.595 4.515 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1 ZINC000103841391 571362233 /nfs/dbraw/zinc/36/22/33/571362233.db2.gz JRSQQRYZUXTYDB-FGSNJIQSSA-N 0 0 592.595 4.515 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(I)c1OCc1ccccc1F ZINC000103846019 571363253 /nfs/dbraw/zinc/36/32/53/571363253.db2.gz ZWPSDBXRCDXRQI-USFSGSQCSA-N 0 0 526.371 4.940 40 30 KJEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(I)cc(I)c1O ZINC000103846831 571363559 /nfs/dbraw/zinc/36/35/59/571363559.db2.gz VIULPEZWBFQEOV-AWNIVKPZSA-N 0 0 566.133 4.632 40 30 KJEBRN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cc(Br)cc(I)c1O ZINC000103846966 571363552 /nfs/dbraw/zinc/36/35/52/571363552.db2.gz CRJVZMPSHFGAOE-MLPAPPSSSA-N 0 0 519.133 4.790 40 30 KJEBRN COC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br ZINC000103847404 571363688 /nfs/dbraw/zinc/36/36/88/571363688.db2.gz KLGDZQCXRHYQPR-OVCLIPMQSA-N 0 0 544.196 4.794 40 30 KJEBRN COc1c(I)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1I ZINC000103847687 571363642 /nfs/dbraw/zinc/36/36/42/571363642.db2.gz OJPGOBRIIOUPPI-RIYZIHGNSA-N 0 0 580.160 4.935 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1I ZINC000103847693 571363662 /nfs/dbraw/zinc/36/36/62/571363662.db2.gz JEBYOYSBDMTXRC-MHWRWJLKSA-N 0 0 604.182 4.939 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OCC ZINC000103848367 571363911 /nfs/dbraw/zinc/36/39/11/571363911.db2.gz ZEIZXVWLBWHWOS-WOJGMQOQSA-N 0 0 523.380 4.820 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OCC ZINC000103848458 571363880 /nfs/dbraw/zinc/36/38/80/571363880.db2.gz LEBLYYIAELTAGH-WOJGMQOQSA-N 0 0 570.380 4.663 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OCC ZINC000103848470 571363899 /nfs/dbraw/zinc/36/38/99/571363899.db2.gz OXWZDSLNEXYGDU-LDADJPATSA-N 0 0 522.339 4.733 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OCC ZINC000103848575 571363870 /nfs/dbraw/zinc/36/38/70/571363870.db2.gz FHVBYQABEZHIHY-VXLYETTFSA-N 0 0 523.380 4.820 40 30 KJEBRN C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000103855930 571366131 /nfs/dbraw/zinc/36/61/31/571366131.db2.gz NHOSALNKHXQJRI-UHFFFAOYSA-N 0 0 529.456 4.754 40 30 KJEBRN C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000103857339 571366421 /nfs/dbraw/zinc/36/64/21/571366421.db2.gz OFNNVBAYFGVTHP-UHFFFAOYSA-N 0 0 611.299 4.960 40 30 KJEBRN C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000103857437 571366401 /nfs/dbraw/zinc/36/64/01/571366401.db2.gz KKGREGUMZPWHRL-UHFFFAOYSA-N 0 0 576.456 4.596 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000103862718 571367643 /nfs/dbraw/zinc/36/76/43/571367643.db2.gz VQWKYOSJBJYMDI-HRLSHZPLSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000103862721 571367658 /nfs/dbraw/zinc/36/76/58/571367658.db2.gz VQWKYOSJBJYMDI-RWDZFFNTSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000103863351 571367868 /nfs/dbraw/zinc/36/78/68/571367868.db2.gz MKBRNEPUWGQYRU-UOOXJCEYSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000103863356 571367885 /nfs/dbraw/zinc/36/78/85/571367885.db2.gz MKBRNEPUWGQYRU-ZMVORIFESA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000103863398 571367854 /nfs/dbraw/zinc/36/78/54/571367854.db2.gz CNKZYVGJCOHNOK-LBLGWMPZSA-N 0 0 582.678 4.518 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000103863404 571367873 /nfs/dbraw/zinc/36/78/73/571367873.db2.gz CNKZYVGJCOHNOK-ZUXOAJPSSA-N 0 0 582.678 4.518 40 30 KJEBRN Cc1cc(Br)ccc1/N=C1\NC(=O)/C(=C/c2cc(Br)c(N3CCOCC3)o2)S1 ZINC000103868647 571368121 /nfs/dbraw/zinc/36/81/21/571368121.db2.gz SEFKKCSEUKHQTN-YBEGLDIGSA-N 0 0 527.238 4.841 40 30 KJEBRN O=C(OCC(Cl)(Cl)Cl)N1[C@@H]2C3=C(CCC3)[C@@H]([C@@H]3O[C@@H]32)N1C(=O)OCC(Cl)(Cl)Cl ZINC000103878876 571368476 /nfs/dbraw/zinc/36/84/76/571368476.db2.gz ABMYMHYAIILQQH-DTIDVZRVSA-N 0 0 515.004 4.531 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000103903676 571369036 /nfs/dbraw/zinc/36/90/36/571369036.db2.gz XASUIOLLBMABRE-IVQFASICSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000103903681 571369080 /nfs/dbraw/zinc/36/90/80/571369080.db2.gz XASUIOLLBMABRE-SELCLYCASA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103903754 571369042 /nfs/dbraw/zinc/36/90/42/571369042.db2.gz XSFGFPGJHMREFF-XDYZZPCYSA-N 0 0 618.715 4.690 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000103903757 571369072 /nfs/dbraw/zinc/36/90/72/571369072.db2.gz XSFGFPGJHMREFF-DBHVVYFFSA-N 0 0 618.715 4.690 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000103904053 571369168 /nfs/dbraw/zinc/36/91/68/571369168.db2.gz XTZVRMZRBHKMOB-ITNPZBTBSA-N 0 0 611.745 4.979 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000103904056 571369176 /nfs/dbraw/zinc/36/91/76/571369176.db2.gz XTZVRMZRBHKMOB-UAMLYEQYSA-N 0 0 611.745 4.979 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccccc5C#N)cc4)c(=O)n32)cc1 ZINC000103904259 571369258 /nfs/dbraw/zinc/36/92/58/571369258.db2.gz NQBZBEIHTLRTAT-UAMLYEQYSA-N 0 0 579.678 4.646 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccccc5C#N)cc4)c(=O)n32)cc1 ZINC000103904263 571369205 /nfs/dbraw/zinc/36/92/05/571369205.db2.gz NQBZBEIHTLRTAT-ITNPZBTBSA-N 0 0 579.678 4.646 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000103904349 571369212 /nfs/dbraw/zinc/36/92/12/571369212.db2.gz QGWNCMQJBBSDHG-SODCYNRPSA-N 0 0 618.715 4.690 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000103904353 571369243 /nfs/dbraw/zinc/36/92/43/571369243.db2.gz QGWNCMQJBBSDHG-QHCWNQLDSA-N 0 0 618.715 4.690 40 30 KJEBRN C=C(O[C@H]1C(C)=C2[C@H]3OC(=O)[C@](C)(O)[C@]3(O)[C@H](OC(=O)CCC)C[C@@](C)(OC(C)=O)[C@@H]2[C@H]1OC(=O)CCCCCCC)/C(C)=C\C ZINC000103918173 571369588 /nfs/dbraw/zinc/36/95/88/571369588.db2.gz WILGDJPLXKHUEY-XMDHQUDUSA-N 0 0 648.790 4.915 40 30 KJEBRN C=C(O[C@H]1C(C)=C2[C@H]3OC(=O)[C@](C)(O)[C@]3(O)[C@H](OC(=O)CCC)C[C@@](C)(OC(C)=O)[C@@H]2[C@@H]1OC(=O)CCCCCCC)/C(C)=C\C ZINC000103918182 571369578 /nfs/dbraw/zinc/36/95/78/571369578.db2.gz WILGDJPLXKHUEY-JLSULISXSA-N 0 0 648.790 4.915 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4F)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000103941946 571370348 /nfs/dbraw/zinc/37/03/48/571370348.db2.gz QZLALYKOECLRPC-ZDEZRRDYSA-N 0 0 601.428 4.975 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4F)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000103941949 571370316 /nfs/dbraw/zinc/37/03/16/571370316.db2.gz QZLALYKOECLRPC-ZRIRBKMQSA-N 0 0 601.428 4.975 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4F)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000103941952 571370332 /nfs/dbraw/zinc/37/03/32/571370332.db2.gz QZLALYKOECLRPC-MIRJVGOZSA-N 0 0 601.428 4.975 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000103948142 571370513 /nfs/dbraw/zinc/37/05/13/571370513.db2.gz DZUQIVHZYLMNNO-UHFFFAOYSA-N 0 0 555.745 4.997 40 30 KJEBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000103993366 571370912 /nfs/dbraw/zinc/37/09/12/571370912.db2.gz RZCRIPGWOLRUCK-CRJMXQGDSA-N 0 0 583.984 4.635 40 30 KJEBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000103993372 571370883 /nfs/dbraw/zinc/37/08/83/571370883.db2.gz RZCRIPGWOLRUCK-HDLKCZAISA-N 0 0 583.984 4.635 40 30 KJEBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000103993382 571370857 /nfs/dbraw/zinc/37/08/57/571370857.db2.gz RZCRIPGWOLRUCK-ZJHRHMSFSA-N 0 0 583.984 4.635 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000104000434 571371035 /nfs/dbraw/zinc/37/10/35/571371035.db2.gz UJDJOVUPBPBPNA-ZDEZRRDYSA-N 0 0 601.428 4.975 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000104000440 571371030 /nfs/dbraw/zinc/37/10/30/571371030.db2.gz UJDJOVUPBPBPNA-ZRIRBKMQSA-N 0 0 601.428 4.975 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000104000446 571370990 /nfs/dbraw/zinc/37/09/90/571370990.db2.gz UJDJOVUPBPBPNA-MIRJVGOZSA-N 0 0 601.428 4.975 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000104004093 571371004 /nfs/dbraw/zinc/37/10/04/571371004.db2.gz IPPTZPQXXYMHOY-ZDEZRRDYSA-N 0 0 601.428 4.975 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000104004096 571371132 /nfs/dbraw/zinc/37/11/32/571371132.db2.gz IPPTZPQXXYMHOY-ZRIRBKMQSA-N 0 0 601.428 4.975 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000104004102 571371043 /nfs/dbraw/zinc/37/10/43/571371043.db2.gz IPPTZPQXXYMHOY-MIRJVGOZSA-N 0 0 601.428 4.975 40 30 KJEBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000104043111 571371595 /nfs/dbraw/zinc/37/15/95/571371595.db2.gz INJJCBQCYWVAOD-YAOOYPAMSA-N 0 0 567.985 4.935 40 30 KJEBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000104043116 571371601 /nfs/dbraw/zinc/37/16/01/571371601.db2.gz INJJCBQCYWVAOD-NFGXINMFSA-N 0 0 567.985 4.935 40 30 KJEBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000104043124 571371576 /nfs/dbraw/zinc/37/15/76/571371576.db2.gz INJJCBQCYWVAOD-RAVGUYNFSA-N 0 0 567.985 4.935 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000104056395 571371959 /nfs/dbraw/zinc/37/19/59/571371959.db2.gz YOFZTKJFGWYBFW-ZDEZRRDYSA-N 0 0 583.438 4.836 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000104056401 571371942 /nfs/dbraw/zinc/37/19/42/571371942.db2.gz YOFZTKJFGWYBFW-ZRIRBKMQSA-N 0 0 583.438 4.836 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000104056406 571371967 /nfs/dbraw/zinc/37/19/67/571371967.db2.gz YOFZTKJFGWYBFW-MIRJVGOZSA-N 0 0 583.438 4.836 40 30 KJEBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000104058135 571371963 /nfs/dbraw/zinc/37/19/63/571371963.db2.gz AWTLCXWPANNOBH-YAOOYPAMSA-N 0 0 567.985 4.935 40 30 KJEBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000104058138 571371874 /nfs/dbraw/zinc/37/18/74/571371874.db2.gz AWTLCXWPANNOBH-NFGXINMFSA-N 0 0 567.985 4.935 40 30 KJEBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000104058146 571371943 /nfs/dbraw/zinc/37/19/43/571371943.db2.gz AWTLCXWPANNOBH-RAVGUYNFSA-N 0 0 567.985 4.935 40 30 KJEBRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC1=C(Cl)C(=O)c3ccccc3C1=O)CC2 ZINC000104064970 571372070 /nfs/dbraw/zinc/37/20/70/571372070.db2.gz NJICJHYHWMVIGA-HXUWFJFHSA-N 0 0 547.991 4.855 40 30 KJEBRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC1=C(Cl)C(=O)c3ccccc3C1=O)CC2 ZINC000104064975 571372073 /nfs/dbraw/zinc/37/20/73/571372073.db2.gz NJICJHYHWMVIGA-FQEVSTJZSA-N 0 0 547.991 4.855 40 30 KJEBRN O=C(OCC(Cl)(Cl)Cl)N1[C@@H]2C=C[C@H](N1C(=O)OCC(Cl)(Cl)Cl)[C@]13CCC[C@]21O3 ZINC000104075300 571372278 /nfs/dbraw/zinc/37/22/78/571372278.db2.gz OTNXCEZAJIBNHE-JDNZLRHBSA-N 0 0 515.004 4.531 40 30 KJEBRN COc1ccc(S(=O)(=O)/N=C(\[C@@H]2CC3=CC[C@H]4[C@H]5CCC(=O)[C@]5(C)CC(=O)[C@@H]4[C@]3(C)C2)N2CCCC2)cc1 ZINC000104094569 571373587 /nfs/dbraw/zinc/37/35/87/571373587.db2.gz BZYUSCTZJZVZLI-BTBNTBNYSA-N 0 0 538.710 4.815 40 30 KJEBRN COc1ccc(S(=O)(=O)/N=C(/[C@@H]2CC3=CC[C@H]4[C@H]5CCC(=O)[C@]5(C)CC(=O)[C@@H]4[C@]3(C)C2)N2CCCC2)cc1 ZINC000104094574 571373597 /nfs/dbraw/zinc/37/35/97/571373597.db2.gz BZYUSCTZJZVZLI-XANSVICFSA-N 0 0 538.710 4.815 40 30 KJEBRN COc1ccc(S(=O)(=O)/N=C(\[C@@H]2CC3=CC[C@H]4[C@H]5CCC(=O)[C@]5(C)CC(=O)[C@@H]4[C@@]3(C)C2)N2CCCC2)cc1 ZINC000104094576 571373666 /nfs/dbraw/zinc/37/36/66/571373666.db2.gz BZYUSCTZJZVZLI-QBDIYKDBSA-N 0 0 538.710 4.815 40 30 KJEBRN O=S(=O)(N/N=C(/CC/C(=N/NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000104098668 571373700 /nfs/dbraw/zinc/37/37/00/571373700.db2.gz CGANCUHVZPBTQZ-ZUELCTOOSA-N 0 0 546.674 4.532 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C2C(=N\NS(=O)(=O)c3ccc(C)cc3)/C3c4ccccc4C/2c2ccccc23)cc1 ZINC000104100723 571373810 /nfs/dbraw/zinc/37/38/10/571373810.db2.gz MGOVAXUZFOMFRS-SNQKRLHOSA-N 0 0 570.696 4.563 40 30 KJEBRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2 ZINC000104119067 571374230 /nfs/dbraw/zinc/37/42/30/571374230.db2.gz FJDINCCVMNMHOO-UHFFFAOYSA-N 0 0 515.252 4.769 40 30 KJEBRN COC(=O)c1sc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)c(C#N)c1C ZINC000104126485 571374368 /nfs/dbraw/zinc/37/43/68/571374368.db2.gz GCCKDUSGYJHFQU-SNAWJCMRSA-N 0 0 514.195 4.900 40 30 KJEBRN O=C(/N=C1\O[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O[C@@H]2N1C(=O)c1ccccc1)c1ccccc1 ZINC000104141062 571374740 /nfs/dbraw/zinc/37/47/40/571374740.db2.gz SYIIGXVCTHRWNT-DUWGBIFRSA-N 0 0 590.588 4.532 40 30 KJEBRN O=C(/N=C1\O[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O[C@H]2N1C(=O)c1ccccc1)c1ccccc1 ZINC000104141066 571374658 /nfs/dbraw/zinc/37/46/58/571374658.db2.gz SYIIGXVCTHRWNT-HDLLNJFLSA-N 0 0 590.588 4.532 40 30 KJEBRN O=C(/N=C1/O[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O[C@H]2N1C(=O)c1ccccc1)c1ccccc1 ZINC000104141068 571374667 /nfs/dbraw/zinc/37/46/67/571374667.db2.gz SYIIGXVCTHRWNT-MZUXXYDMSA-N 0 0 590.588 4.532 40 30 KJEBRN COc1ccc(N2C(=O)C(=NNc3ccc(Br)cc3)C(=O)N(c3ccc(C)cc3)C2=S)cc1 ZINC000104142352 571374835 /nfs/dbraw/zinc/37/48/35/571374835.db2.gz PVZSVOHAJWGTMM-SZXQPVLSSA-N 0 0 523.412 4.899 40 30 KJEBRN COc1ccccc1N1C(=O)C(=NNc2ccc(Br)cc2)C(=O)N(c2ccccc2C)C1=S ZINC000104142360 571374847 /nfs/dbraw/zinc/37/48/47/571374847.db2.gz SVQYVKSOYSDNRD-MEFGMAGPSA-N 0 0 523.412 4.899 40 30 KJEBRN Cc1nc(-c2ccc(/N=C\c3ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc3Cl)cc2)c(C)s1 ZINC000104145068 571374858 /nfs/dbraw/zinc/37/48/58/571374858.db2.gz GEWVCOXNLMXOPG-QQXSKIMKSA-N 0 0 586.157 4.590 40 30 KJEBRN CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N\c2ccc(-c3csc(COc4ccccc4)n3)cc2)cc1 ZINC000104145084 571374931 /nfs/dbraw/zinc/37/49/31/571374931.db2.gz XLLDEPOMEUPDBU-COEJQBHMSA-N 0 0 629.782 4.899 40 30 KJEBRN CCOC(=O)C1=C(C(=O)c2ccc(OC)cc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)c2ccc(OC)cc2)=C(C(=O)OCC)N1 ZINC000104240997 571377677 /nfs/dbraw/zinc/37/76/77/571377677.db2.gz CNSYNQFCNZPYHT-UHFFFAOYSA-N 0 0 614.607 4.699 40 30 KJEBRN CCOC(=O)C1=C(C(=O)c2ccc(OC)cc2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc(OC)cc2)=C(C(=O)OCC)N1 ZINC000104241002 571377716 /nfs/dbraw/zinc/37/77/16/571377716.db2.gz SJHVOVGGICXPNF-UHFFFAOYSA-N 0 0 614.607 4.699 40 30 KJEBRN CCOC(=O)C1=C(C(=O)c2ccc(OC)cc2)C(c2ccc(OC)c(OC)c2)C(C(=O)c2ccc(OC)cc2)=C(C(=O)OCC)N1 ZINC000104241026 571377695 /nfs/dbraw/zinc/37/76/95/571377695.db2.gz JTERJLHZRGJCNI-UHFFFAOYSA-N 0 0 629.662 4.808 40 30 KJEBRN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@@H]4C5C6[C@H](C=C[C@@H]6[C@@H]6[C@@H](OS(=O)(=O)c7ccc(C)cc7)C[C@@H]3[C@@H]56)[C@H]24)cc1 ZINC000104290432 571378391 /nfs/dbraw/zinc/37/83/91/571378391.db2.gz OZTVMUNEZMSQQH-PBPBZBQUSA-N 0 0 552.714 4.731 40 30 KJEBRN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4C5C6[C@H](C=C[C@@H]6[C@@H]6[C@@H](OS(=O)(=O)c7ccc(C)cc7)C[C@@H]3[C@@H]56)[C@H]24)cc1 ZINC000104290437 571378431 /nfs/dbraw/zinc/37/84/31/571378431.db2.gz OZTVMUNEZMSQQH-VQLXMZJSSA-N 0 0 552.714 4.731 40 30 KJEBRN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@H]4C[C@H](OS(=O)(=O)c5ccc(C)cc5)[C@H]5[C@H]6C=C[C@H]7C6C([C@@H]3[C@@H]27)[C@H]45)cc1 ZINC000104290441 571378419 /nfs/dbraw/zinc/37/84/19/571378419.db2.gz OZTVMUNEZMSQQH-GQDJXUPNSA-N 0 0 552.714 4.731 40 30 KJEBRN Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1\N=C(/C=C\c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C1=O ZINC000104294313 571378520 /nfs/dbraw/zinc/37/85/20/571378520.db2.gz OGQPJIGUPZYTLI-YKLJQQLISA-N 0 0 564.671 4.776 40 30 KJEBRN Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1/N=C(/C=C\c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C1=O ZINC000104294320 571378492 /nfs/dbraw/zinc/37/84/92/571378492.db2.gz OGQPJIGUPZYTLI-UORZYKAASA-N 0 0 564.671 4.776 40 30 KJEBRN NC(=S)NN=C(C(=O)Nc1ccc(Cl)c(Cl)c1)C1=NN(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)CC1=O ZINC000104294891 571378530 /nfs/dbraw/zinc/37/85/30/571378530.db2.gz ZBRGNYWRFMEJDS-DADFCFSCSA-N 0 0 584.445 4.606 40 30 KJEBRN NC(=S)NN=C(C(=O)Nc1ccc(Cl)c(Cl)c1)C1=NN(c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)CC1=O ZINC000104294898 571378507 /nfs/dbraw/zinc/37/85/07/571378507.db2.gz ZBRGNYWRFMEJDS-UGTHSLDDSA-N 0 0 584.445 4.606 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C\c2oc(-c3cccc([N+](=O)[O-])c3)c(-c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 ZINC000104295591 571378637 /nfs/dbraw/zinc/37/86/37/571378637.db2.gz AWAWJBVIRQMQJM-QFEZKATASA-N 0 0 551.493 4.959 40 30 KJEBRN Cc1nc(Nc2ccc(C)cc2)sc1C(=O)C=C(NNC(N)=S)C(=O)Nc1ccc(Cl)cc1C ZINC000104301119 571378708 /nfs/dbraw/zinc/37/87/08/571378708.db2.gz MTEGJYBTUXWPGT-MIXAMLLLSA-N 0 0 515.064 4.866 40 30 KJEBRN COC(=O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)o1 ZINC000104364362 571379572 /nfs/dbraw/zinc/37/95/72/571379572.db2.gz JKWADFWQMNMFOF-LKULFIKXSA-N 0 0 502.526 4.959 40 30 KJEBRN COC(=O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)o1 ZINC000104364372 571379498 /nfs/dbraw/zinc/37/94/98/571379498.db2.gz JKWADFWQMNMFOF-PRCJZZLJSA-N 0 0 502.526 4.959 40 30 KJEBRN COc1ccccc1CN/N=C/c1cc(I)c(OC(C)C)c(I)c1 ZINC000104402371 571380095 /nfs/dbraw/zinc/38/00/95/571380095.db2.gz WEWXIIRRHIXCQU-UFFVCSGVSA-N 0 0 550.178 4.815 40 30 KJEBRN COc1ccccc1CN/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000104402433 571380125 /nfs/dbraw/zinc/38/01/25/571380125.db2.gz RPCMEXQOGOCDHR-DHRITJCHSA-N 0 0 547.349 4.919 40 30 KJEBRN C=CCOC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1ccc(Cl)cc1 ZINC000104608799 571381639 /nfs/dbraw/zinc/38/16/39/571381639.db2.gz DXMXJJFFACEERK-AZIXZEHSSA-N 0 0 510.030 4.739 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000104655370 571383655 /nfs/dbraw/zinc/38/36/55/571383655.db2.gz PMHGPWIQAMANMD-RAWKODRKSA-N 0 0 536.653 4.901 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000104655374 571383621 /nfs/dbraw/zinc/38/36/21/571383621.db2.gz PMHGPWIQAMANMD-XGLKJEJJSA-N 0 0 536.653 4.901 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000104657253 571384324 /nfs/dbraw/zinc/38/43/24/571384324.db2.gz FQEQSHLEAUWBDV-RAWKODRKSA-N 0 0 536.653 4.901 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000104657258 571384331 /nfs/dbraw/zinc/38/43/31/571384331.db2.gz FQEQSHLEAUWBDV-XGLKJEJJSA-N 0 0 536.653 4.901 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000104658297 571384566 /nfs/dbraw/zinc/38/45/66/571384566.db2.gz ADRQTHZQJNVKPM-PYCBVSLESA-N 0 0 536.653 4.901 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000104658302 571384581 /nfs/dbraw/zinc/38/45/81/571384581.db2.gz ADRQTHZQJNVKPM-JLHDDXNDSA-N 0 0 536.653 4.901 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000104658360 571384520 /nfs/dbraw/zinc/38/45/20/571384520.db2.gz YCJHSVRLUCARMD-MRWVFDTMSA-N 0 0 566.679 4.909 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000104658366 571384547 /nfs/dbraw/zinc/38/45/47/571384547.db2.gz YCJHSVRLUCARMD-NBQDTTAVSA-N 0 0 566.679 4.909 40 30 KJEBRN C=CCOc1c(I)cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1I ZINC000104660259 571384989 /nfs/dbraw/zinc/38/49/89/571384989.db2.gz JQIURGSAOIJXBG-UHFFFAOYSA-N 0 0 580.156 4.604 40 30 KJEBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(I)c1OCc1ccccc1C#N ZINC000104660389 571385017 /nfs/dbraw/zinc/38/50/17/571385017.db2.gz MABRTMNSZWPVBI-UHFFFAOYSA-N 0 0 559.356 4.894 40 30 KJEBRN O=C(CSc1nnc(NN=Cc2ccccc2O)[nH]1)Nc1nnc(SCc2cccc(Br)c2)s1 ZINC000104772078 571385965 /nfs/dbraw/zinc/38/59/65/571385965.db2.gz CSLFIXDQRPFWCU-LSFURLLWSA-N 0 0 577.515 4.593 40 30 KJEBRN O=C(Nc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)n1)C(F)(F)C(F)(F)C(F)(F)F ZINC000105005041 571389183 /nfs/dbraw/zinc/38/91/83/571389183.db2.gz UWTGQVSCACZGBE-UHFFFAOYSA-N 0 0 501.174 4.624 40 30 KJEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000105008585 571389176 /nfs/dbraw/zinc/38/91/76/571389176.db2.gz KGZZECZCOVSPKN-UHFFFAOYSA-N 0 0 534.423 4.995 40 30 KJEBRN COC(=O)c1ccc(NC(=O)/C=C2\S/C(=N\CCc3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000105123724 571391604 /nfs/dbraw/zinc/39/16/04/571391604.db2.gz KWTYCPAEQKYECH-QNMQLIEQSA-N 0 0 513.619 4.712 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000105145459 571391711 /nfs/dbraw/zinc/39/17/11/571391711.db2.gz HAJXJLWGKRJIJO-SOFGYWHQSA-N 0 0 562.479 4.849 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000105168589 571391820 /nfs/dbraw/zinc/39/18/20/571391820.db2.gz FIEWJEMDAITFKO-HNNXBMFYSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000105168593 571391910 /nfs/dbraw/zinc/39/19/10/571391910.db2.gz FIEWJEMDAITFKO-OAHLLOKOSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000105267169 571392477 /nfs/dbraw/zinc/39/24/77/571392477.db2.gz MFXMWUDDENXELB-UHFFFAOYSA-N 0 0 542.683 4.900 40 30 KJEBRN CCOC(=O)c1sc(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)c(C#N)c1C ZINC000105305433 571393643 /nfs/dbraw/zinc/39/36/43/571393643.db2.gz AMTJRPOOMPKUBQ-UHFFFAOYSA-N 0 0 561.277 4.765 40 30 KJEBRN COC(=O)c1sc(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)c(C#N)c1C ZINC000105308899 571395380 /nfs/dbraw/zinc/39/53/80/571395380.db2.gz KAKWHGDDWJACKO-UHFFFAOYSA-N 0 0 518.414 4.766 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000105412891 571404708 /nfs/dbraw/zinc/40/47/08/571404708.db2.gz GGYVOCYCQJDACD-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000105494915 571405053 /nfs/dbraw/zinc/40/50/53/571405053.db2.gz HXPQFIMPQGRTRR-UXBLZVDNSA-N 0 0 562.479 4.849 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000105499089 571405998 /nfs/dbraw/zinc/40/59/98/571405998.db2.gz NVKFIDBAZRIPHX-DLBLZJNESA-N 0 0 615.571 4.856 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000105499092 571405935 /nfs/dbraw/zinc/40/59/35/571405935.db2.gz NVKFIDBAZRIPHX-FCKOQQNDSA-N 0 0 615.571 4.856 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000105499105 571406074 /nfs/dbraw/zinc/40/60/74/571406074.db2.gz ASGSAQYQOPXRHU-DLBLZJNESA-N 0 0 585.545 4.848 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000105499108 571406096 /nfs/dbraw/zinc/40/60/96/571406096.db2.gz ASGSAQYQOPXRHU-FCKOQQNDSA-N 0 0 585.545 4.848 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c1 ZINC000105500132 571406308 /nfs/dbraw/zinc/40/63/08/571406308.db2.gz REFFIXOUZXIZFP-QPWQWLJXSA-N 0 0 540.641 4.525 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c1 ZINC000105500134 571406273 /nfs/dbraw/zinc/40/62/73/571406273.db2.gz REFFIXOUZXIZFP-ZYSRDMNZSA-N 0 0 540.641 4.525 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1c(OC)ccc3ccccc31)C(C(=O)OCC)=C(C)N=2 ZINC000105500140 571406321 /nfs/dbraw/zinc/40/63/21/571406321.db2.gz XFYQQBSEPXQUAM-QPWQWLJXSA-N 0 0 540.641 4.525 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1c(OC)ccc3ccccc31)C(C(=O)OCC)=C(C)N=2 ZINC000105500143 571406255 /nfs/dbraw/zinc/40/62/55/571406255.db2.gz XFYQQBSEPXQUAM-ZYSRDMNZSA-N 0 0 540.641 4.525 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000105500177 571406343 /nfs/dbraw/zinc/40/63/43/571406343.db2.gz OCQMQSTVBSUZGX-JQTKYWOZSA-N 0 0 570.667 4.534 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000105500181 571406259 /nfs/dbraw/zinc/40/62/59/571406259.db2.gz OCQMQSTVBSUZGX-GBIJUZDQSA-N 0 0 570.667 4.534 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccccc1Cl ZINC000105509006 571406781 /nfs/dbraw/zinc/40/67/81/571406781.db2.gz TXCFDAOLQJOPGZ-UHFFFAOYSA-N 0 0 520.840 4.541 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000105510271 571406694 /nfs/dbraw/zinc/40/66/94/571406694.db2.gz GZTCHAVZRRLKMG-GTWFGUSFSA-N 0 0 579.516 4.696 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000105510276 571406764 /nfs/dbraw/zinc/40/67/64/571406764.db2.gz GZTCHAVZRRLKMG-SJJVXOANSA-N 0 0 579.516 4.696 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000105511665 571406813 /nfs/dbraw/zinc/40/68/13/571406813.db2.gz FYLDPLJKFKLPLR-LJJBLSSYSA-N 0 0 603.922 4.788 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000105511668 571406860 /nfs/dbraw/zinc/40/68/60/571406860.db2.gz FYLDPLJKFKLPLR-CVGPFBNFSA-N 0 0 603.922 4.788 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000105516327 571407040 /nfs/dbraw/zinc/40/70/40/571407040.db2.gz JLSBHFGNNLJEPD-NBQDTTAVSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000105516331 571407188 /nfs/dbraw/zinc/40/71/88/571407188.db2.gz JLSBHFGNNLJEPD-MRWVFDTMSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000105517597 571407130 /nfs/dbraw/zinc/40/71/30/571407130.db2.gz WGQJTGDBKPYWRO-JLHDDXNDSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000105517600 571407191 /nfs/dbraw/zinc/40/71/91/571407191.db2.gz WGQJTGDBKPYWRO-PYCBVSLESA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000105517619 571407193 /nfs/dbraw/zinc/40/71/93/571407193.db2.gz FEEZZTZFXXMPEA-NBQDTTAVSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000105517622 571407171 /nfs/dbraw/zinc/40/71/71/571407171.db2.gz FEEZZTZFXXMPEA-MRWVFDTMSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000105517643 571407138 /nfs/dbraw/zinc/40/71/38/571407138.db2.gz PDBBHGMAPSNRQJ-SAGCDJCOSA-N 0 0 622.747 4.714 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000105517647 571407166 /nfs/dbraw/zinc/40/71/66/571407166.db2.gz PDBBHGMAPSNRQJ-GSTVVXAASA-N 0 0 622.747 4.714 40 30 KJEBRN COc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000105518015 571407179 /nfs/dbraw/zinc/40/71/79/571407179.db2.gz SPMDQFNVIDXFCB-RPPGKUMJSA-N 0 0 521.511 4.836 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000105528232 571407256 /nfs/dbraw/zinc/40/72/56/571407256.db2.gz ZBLNNISHVAHJIH-KPKJPENVSA-N 0 0 546.878 4.940 40 30 KJEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(I)cc(I)c2O)S1 ZINC000105562833 571407502 /nfs/dbraw/zinc/40/75/02/571407502.db2.gz FJLPDAAEDGEKHO-AUWJEWJLSA-N 0 0 562.170 4.801 40 30 KJEBRN COc1c(I)cc(I)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000105668214 571408164 /nfs/dbraw/zinc/40/81/64/571408164.db2.gz RGLAIQQSRMEJQY-QGMBQPNBSA-N 0 0 535.148 4.960 40 30 KJEBRN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000105668656 571408120 /nfs/dbraw/zinc/40/81/20/571408120.db2.gz DXEZXAGAFMWSMF-TWKHWXDSSA-N 0 0 574.642 4.824 40 30 KJEBRN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1 ZINC000105669092 571408189 /nfs/dbraw/zinc/40/81/89/571408189.db2.gz QJHIYCCZJGSZDF-TWKHWXDSSA-N 0 0 539.596 4.516 40 30 KJEBRN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000105669330 571408206 /nfs/dbraw/zinc/40/82/06/571408206.db2.gz RSXYRQFBEMAUIX-RDRPBHBLSA-N 0 0 554.567 4.797 40 30 KJEBRN O=[N+]([O-])c1ccc(Oc2ccccc2CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000105669361 571408208 /nfs/dbraw/zinc/40/82/08/571408208.db2.gz BNLKZQLUJQQWGW-OVVQPSECSA-N 0 0 547.576 4.907 40 30 KJEBRN O=[N+]([O-])c1ccc(Oc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC000105669374 571408223 /nfs/dbraw/zinc/40/82/23/571408223.db2.gz XNRXCPZDUQFRSH-WPWMEQJKSA-N 0 0 557.527 4.507 40 30 KJEBRN CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000105793328 571408727 /nfs/dbraw/zinc/40/87/27/571408727.db2.gz MIBYSWFOECDSRM-UHFFFAOYSA-N 0 0 559.515 4.533 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000105821849 571408846 /nfs/dbraw/zinc/40/88/46/571408846.db2.gz BFZMPMBSXHOIAE-UHFFFAOYSA-N 0 0 550.276 4.894 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000106172455 571411452 /nfs/dbraw/zinc/41/14/52/571411452.db2.gz BBHQJHYSLQCJPZ-HNNXBMFYSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000106172458 571411503 /nfs/dbraw/zinc/41/15/03/571411503.db2.gz BBHQJHYSLQCJPZ-OAHLLOKOSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000106206969 571411641 /nfs/dbraw/zinc/41/16/41/571411641.db2.gz MOCZQWKXEUJNMT-UHFFFAOYSA-N 0 0 565.291 4.650 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000106323657 571411924 /nfs/dbraw/zinc/41/19/24/571411924.db2.gz ILICOMZEZYIMSN-CSJROMOCSA-N 0 0 546.689 4.755 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000106323660 571411893 /nfs/dbraw/zinc/41/18/93/571411893.db2.gz ILICOMZEZYIMSN-ABBNRAPFSA-N 0 0 546.689 4.755 40 30 KJEBRN c1ccc(N=NCc2ccc(OCCOCCOCCOc3ccc(CN=Nc4ccccn4)cc3)cc2)nc1 ZINC000106347067 571412099 /nfs/dbraw/zinc/41/20/99/571412099.db2.gz LAHKNJTZOLJMHA-IENBMRAWSA-N 0 0 540.624 4.860 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000106421904 571412500 /nfs/dbraw/zinc/41/25/00/571412500.db2.gz KLWHTSUOXFXIPE-DHZHZOJOSA-N 0 0 542.061 4.504 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000106519345 571412829 /nfs/dbraw/zinc/41/28/29/571412829.db2.gz KYFGAPGFNURCGA-UHFFFAOYSA-N 0 0 571.526 4.699 40 30 KJEBRN Cc1ccc(S(=O)(=O)C(=CNNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N=Nc2ccc(Cl)cc2)cc1 ZINC000106568944 571412847 /nfs/dbraw/zinc/41/28/47/571412847.db2.gz COOGTFJWHNGOQG-CSCCTVEJSA-N 0 0 516.923 4.762 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000106589377 571413002 /nfs/dbraw/zinc/41/30/02/571413002.db2.gz OTSDJDQAHZBAGN-UHFFFAOYSA-N 0 0 528.476 4.813 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000106593550 571413087 /nfs/dbraw/zinc/41/30/87/571413087.db2.gz RKDCHDUTPXZHIH-HNNXBMFYSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000106593552 571413073 /nfs/dbraw/zinc/41/30/73/571413073.db2.gz RKDCHDUTPXZHIH-OAHLLOKOSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OCC)c5ccccc45)c(=O)n32)cc1 ZINC000106649851 571413163 /nfs/dbraw/zinc/41/31/63/571413163.db2.gz HLCRQRMFDSSSSN-HSUOJCLFSA-N 0 0 554.668 4.915 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OCC)c5ccccc45)c(=O)n32)cc1 ZINC000106649855 571413211 /nfs/dbraw/zinc/41/32/11/571413211.db2.gz HLCRQRMFDSSSSN-ACJNQYEBSA-N 0 0 554.668 4.915 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1OCC ZINC000106701776 571414585 /nfs/dbraw/zinc/41/45/85/571414585.db2.gz NPPXGZIYSRZJHC-UYRXBGFRSA-N 0 0 515.385 4.535 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000106728636 571416501 /nfs/dbraw/zinc/41/65/01/571416501.db2.gz UGSMIUXJUWPMMD-WQRHYEAKSA-N 0 0 503.330 4.614 40 30 KJEBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCC#N ZINC000106737225 571416892 /nfs/dbraw/zinc/41/68/92/571416892.db2.gz YABZIZKEKKFWLP-UNOMPAQXSA-N 0 0 520.348 4.829 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)cc(OC)c1O ZINC000106737234 571416852 /nfs/dbraw/zinc/41/68/52/571416852.db2.gz SUKLVEUFNMBGFI-WQRHYEAKSA-N 0 0 507.349 4.970 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000106740458 571417170 /nfs/dbraw/zinc/41/71/70/571417170.db2.gz QKAARZSVQLHTNU-WQRHYEAKSA-N 0 0 503.330 4.614 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000106743880 571417361 /nfs/dbraw/zinc/41/73/61/571417361.db2.gz QRAGNEIKCBFPPI-NDENLUEZSA-N 0 0 532.412 4.975 40 30 KJEBRN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)cc1OC ZINC000106752732 571417702 /nfs/dbraw/zinc/41/77/02/571417702.db2.gz QMSHQJGGUBJDEA-UNOMPAQXSA-N 0 0 505.333 4.548 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)cc1Br ZINC000106754408 571417656 /nfs/dbraw/zinc/41/76/56/571417656.db2.gz VKLGSUNEVOANEC-ZSOIEALJSA-N 0 0 519.211 4.764 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000106756468 571417767 /nfs/dbraw/zinc/41/77/67/571417767.db2.gz CCMWBYGAMBHSOZ-XKZIYDEJSA-N 0 0 526.014 4.848 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OCC ZINC000106764704 571418046 /nfs/dbraw/zinc/41/80/46/571418046.db2.gz XBNQDIOPGMXJPU-HKWRFOASSA-N 0 0 502.386 4.975 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OC ZINC000106766044 571418219 /nfs/dbraw/zinc/41/82/19/571418219.db2.gz JBKIAVYCNUWJJF-RGEXLXHISA-N 0 0 537.375 4.980 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1OC ZINC000106783807 571418308 /nfs/dbraw/zinc/41/83/08/571418308.db2.gz SAAPMIWLONOGCJ-ZHZULCJRSA-N 0 0 502.386 4.893 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000107559729 571420260 /nfs/dbraw/zinc/42/02/60/571420260.db2.gz PJZDFCJKIHWIOE-VAWYXSNFSA-N 0 0 553.113 4.990 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107589272 571420379 /nfs/dbraw/zinc/42/03/79/571420379.db2.gz MCHIRJAKJARIJB-HSZRJFAPSA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107589276 571420478 /nfs/dbraw/zinc/42/04/78/571420478.db2.gz MCHIRJAKJARIJB-QHCPKHFHSA-N 0 0 507.660 4.947 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4oc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000107605248 571420567 /nfs/dbraw/zinc/42/05/67/571420567.db2.gz RUUUBOZLYRZOGD-CCVBWGSMSA-N 0 0 599.669 4.504 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4oc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000107605254 571420544 /nfs/dbraw/zinc/42/05/44/571420544.db2.gz RUUUBOZLYRZOGD-ZWTBYVTRSA-N 0 0 599.669 4.504 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000107621914 571420583 /nfs/dbraw/zinc/42/05/83/571420583.db2.gz KHDFINVWJOPJMM-AWEZNQCLSA-N 0 0 518.412 4.588 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000107621917 571420587 /nfs/dbraw/zinc/42/05/87/571420587.db2.gz KHDFINVWJOPJMM-CQSZACIVSA-N 0 0 518.412 4.588 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000107633556 571420635 /nfs/dbraw/zinc/42/06/35/571420635.db2.gz GFUWHHHLWPTGCY-GJFKPFFXSA-N 0 0 585.509 4.904 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000107633564 571420669 /nfs/dbraw/zinc/42/06/69/571420669.db2.gz GFUWHHHLWPTGCY-LWUPDDLQSA-N 0 0 585.509 4.904 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107642022 571420681 /nfs/dbraw/zinc/42/06/81/571420681.db2.gz QRWJAQAODLKOEE-XMMPIXPASA-N 0 0 523.659 4.729 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107642025 571420637 /nfs/dbraw/zinc/42/06/37/571420637.db2.gz QRWJAQAODLKOEE-DEOSSOPVSA-N 0 0 523.659 4.729 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000107674817 571420811 /nfs/dbraw/zinc/42/08/11/571420811.db2.gz DWTCPJPUWXAXNX-INIZCTEOSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000107674823 571420766 /nfs/dbraw/zinc/42/07/66/571420766.db2.gz DWTCPJPUWXAXNX-MRXNPFEDSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000107675018 571420768 /nfs/dbraw/zinc/42/07/68/571420768.db2.gz CWHOZGWLBMATIK-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000107681800 571420747 /nfs/dbraw/zinc/42/07/47/571420747.db2.gz XAFXZMIURYNSKP-JXMROGBWSA-N 0 0 547.424 4.740 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(OCC)c1O ZINC000107685494 571420771 /nfs/dbraw/zinc/42/07/71/571420771.db2.gz RIAQXBWEIXKHQU-XXMKCSCWSA-N 0 0 553.080 4.673 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(OCC)c1O ZINC000107685503 571420754 /nfs/dbraw/zinc/42/07/54/571420754.db2.gz RIAQXBWEIXKHQU-XSZPGNIMSA-N 0 0 553.080 4.673 40 30 KJEBRN C=CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000107691501 571420778 /nfs/dbraw/zinc/42/07/78/571420778.db2.gz BNNDWEGPEJDBBF-UHFFFAOYSA-N 0 0 564.893 4.592 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000107695810 571420857 /nfs/dbraw/zinc/42/08/57/571420857.db2.gz YRTYZFPJQWPMHS-YRNVUSSQSA-N 0 0 542.061 4.504 40 30 KJEBRN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000107780925 571421130 /nfs/dbraw/zinc/42/11/30/571421130.db2.gz XVJMUXANNPBGOU-UHFFFAOYSA-N 0 0 508.406 4.613 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000107783981 571421165 /nfs/dbraw/zinc/42/11/65/571421165.db2.gz JIXPSWLAWPDDFR-UHFFFAOYSA-N 0 0 520.840 4.541 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000107805130 571421246 /nfs/dbraw/zinc/42/12/46/571421246.db2.gz QOGCEUVMBKAOLZ-JXMROGBWSA-N 0 0 520.417 4.970 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107816118 571421253 /nfs/dbraw/zinc/42/12/53/571421253.db2.gz PPNMUAAFOCNTKB-QFIPXVFZSA-N 0 0 559.048 4.892 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107816123 571421271 /nfs/dbraw/zinc/42/12/71/571421271.db2.gz PPNMUAAFOCNTKB-JOCHJYFZSA-N 0 0 559.048 4.892 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000107847646 571421386 /nfs/dbraw/zinc/42/13/86/571421386.db2.gz XLBQOXUBBFSXDT-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000107847651 571421464 /nfs/dbraw/zinc/42/14/64/571421464.db2.gz VYBSGCGCCZIIJA-HNNXBMFYSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000107847655 571421456 /nfs/dbraw/zinc/42/14/56/571421456.db2.gz VYBSGCGCCZIIJA-OAHLLOKOSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000107895775 571421511 /nfs/dbraw/zinc/42/15/11/571421511.db2.gz GHABLCGHHDBVCA-KPKJPENVSA-N 0 0 502.427 4.831 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000107899472 571421541 /nfs/dbraw/zinc/42/15/41/571421541.db2.gz LSJYEAQEWDOYAX-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000107932888 571421622 /nfs/dbraw/zinc/42/16/22/571421622.db2.gz NDYKJALDGLNNTL-UXBLZVDNSA-N 0 0 606.930 4.958 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107978426 571421943 /nfs/dbraw/zinc/42/19/43/571421943.db2.gz HELWUIMKWKJEAA-HSZRJFAPSA-N 0 0 538.630 4.547 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107978433 571421920 /nfs/dbraw/zinc/42/19/20/571421920.db2.gz HELWUIMKWKJEAA-QHCPKHFHSA-N 0 0 538.630 4.547 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107995521 571421929 /nfs/dbraw/zinc/42/19/29/571421929.db2.gz XNPNEILXXARUBK-XMMPIXPASA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107995524 571421935 /nfs/dbraw/zinc/42/19/35/571421935.db2.gz XNPNEILXXARUBK-DEOSSOPVSA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000108018564 571421945 /nfs/dbraw/zinc/42/19/45/571421945.db2.gz IJJLYMRQQBISBX-HNNXBMFYSA-N 0 0 524.647 4.637 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000108018568 571422125 /nfs/dbraw/zinc/42/21/25/571422125.db2.gz IJJLYMRQQBISBX-OAHLLOKOSA-N 0 0 524.647 4.637 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000108042854 571422079 /nfs/dbraw/zinc/42/20/79/571422079.db2.gz LAFUCWBMSVJJRK-HXUWFJFHSA-N 0 0 507.660 4.549 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000108042858 571422113 /nfs/dbraw/zinc/42/21/13/571422113.db2.gz LAFUCWBMSVJJRK-FQEVSTJZSA-N 0 0 507.660 4.549 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000108065340 571422269 /nfs/dbraw/zinc/42/22/69/571422269.db2.gz LZITUIDGNWJSRA-UHFFFAOYSA-N 0 0 550.866 4.549 40 30 KJEBRN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000108077126 571422273 /nfs/dbraw/zinc/42/22/73/571422273.db2.gz QTWWIXIBPGDLJB-UHFFFAOYSA-N 0 0 552.857 4.722 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000108101471 571422354 /nfs/dbraw/zinc/42/23/54/571422354.db2.gz MLWCRMWVSCPNDU-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1OCC ZINC000108107888 571422308 /nfs/dbraw/zinc/42/23/08/571422308.db2.gz SIECGLGIDIGPGL-BUHFOSPRSA-N 0 0 512.035 4.577 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000108117020 571422422 /nfs/dbraw/zinc/42/24/22/571422422.db2.gz CVJDUXBCMNAJKZ-QFIPXVFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000108117025 571422472 /nfs/dbraw/zinc/42/24/72/571422472.db2.gz CVJDUXBCMNAJKZ-JOCHJYFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000108129603 571422425 /nfs/dbraw/zinc/42/24/25/571422425.db2.gz CKJNNSICYPKFET-ZRDIBKRKSA-N 0 0 542.061 4.504 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000108146802 571422467 /nfs/dbraw/zinc/42/24/67/571422467.db2.gz DXBALLYHDMRNCN-HNNXBMFYSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000108146806 571422495 /nfs/dbraw/zinc/42/24/95/571422495.db2.gz DXBALLYHDMRNCN-OAHLLOKOSA-N 0 0 534.469 4.930 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000108165598 571422496 /nfs/dbraw/zinc/42/24/96/571422496.db2.gz VMPSGHDTIWCJOK-PKNBQFBNSA-N 0 0 562.479 4.849 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000108176920 571422564 /nfs/dbraw/zinc/42/25/64/571422564.db2.gz XEWGLXDTVNYAMO-ZHACJKMWSA-N 0 0 502.427 4.831 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000108197713 571422599 /nfs/dbraw/zinc/42/25/99/571422599.db2.gz NUPOKOMVNALGJQ-UHFFFAOYSA-N 0 0 554.392 4.906 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000108244981 571422895 /nfs/dbraw/zinc/42/28/95/571422895.db2.gz HADHLHXZDRJLBH-HSZRJFAPSA-N 0 0 552.726 4.976 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000108244984 571422881 /nfs/dbraw/zinc/42/28/81/571422881.db2.gz HADHLHXZDRJLBH-QHCPKHFHSA-N 0 0 552.726 4.976 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000108301718 571423031 /nfs/dbraw/zinc/42/30/31/571423031.db2.gz KQIYWJJSHCTFGY-PKNBQFBNSA-N 0 0 561.586 4.561 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000108305605 571423077 /nfs/dbraw/zinc/42/30/77/571423077.db2.gz BUZFFOHPSIROIB-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC#N)cc2)c2ccc(C)cc2)cc1Br ZINC000108325430 571423299 /nfs/dbraw/zinc/42/32/99/571423299.db2.gz BUYVLFIISXMDSV-UHFFFAOYSA-N 0 0 528.428 4.666 40 30 KJEBRN C=CCn1c(CNC(=O)C=Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000108927436 571427622 /nfs/dbraw/zinc/42/76/22/571427622.db2.gz JBPWXEWJOUNASK-WUXMJOGZSA-N 0 0 557.470 4.548 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000108950705 571427875 /nfs/dbraw/zinc/42/78/75/571427875.db2.gz YUOYKRTXVIVHSA-QGZVFWFLSA-N 0 0 514.051 4.585 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000108950708 571427847 /nfs/dbraw/zinc/42/78/47/571427847.db2.gz YUOYKRTXVIVHSA-KRWDZBQOSA-N 0 0 514.051 4.585 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000108983532 571427953 /nfs/dbraw/zinc/42/79/53/571427953.db2.gz AUODNMCKUARXFE-QHCPKHFHSA-N 0 0 544.077 4.993 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000108983535 571427956 /nfs/dbraw/zinc/42/79/56/571427956.db2.gz AUODNMCKUARXFE-HSZRJFAPSA-N 0 0 544.077 4.993 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000109037510 571428161 /nfs/dbraw/zinc/42/81/61/571428161.db2.gz UGPZGZMEYFEYKK-ASUJOLEISA-N 0 0 596.705 4.759 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000109037515 571428187 /nfs/dbraw/zinc/42/81/87/571428187.db2.gz UGPZGZMEYFEYKK-OGMUYLFESA-N 0 0 596.705 4.759 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000109053772 571428265 /nfs/dbraw/zinc/42/82/65/571428265.db2.gz OWDGKBOKXZRXIV-FYWRMAATSA-N 0 0 543.649 4.695 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000109065471 571428382 /nfs/dbraw/zinc/42/83/82/571428382.db2.gz VKDOMKHXYJFNPP-UXBLZVDNSA-N 0 0 562.479 4.849 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000109084285 571428476 /nfs/dbraw/zinc/42/84/76/571428476.db2.gz WCMBHRDVKXQROC-GXDHUFHOSA-N 0 0 543.649 4.695 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000109125350 571428475 /nfs/dbraw/zinc/42/84/75/571428475.db2.gz GFOAZTGHWDVCRX-HSZRJFAPSA-N 0 0 538.630 4.547 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000109125354 571428440 /nfs/dbraw/zinc/42/84/40/571428440.db2.gz GFOAZTGHWDVCRX-QHCPKHFHSA-N 0 0 538.630 4.547 40 30 KJEBRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)n2C)cc1OC ZINC000109176460 571428702 /nfs/dbraw/zinc/42/87/02/571428702.db2.gz ALLOSCNIEHLTOU-YRVHBARZSA-N 0 0 608.790 4.977 40 30 KJEBRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)n2C)cc1OC ZINC000109176465 571428792 /nfs/dbraw/zinc/42/87/92/571428792.db2.gz ALLOSCNIEHLTOU-BEBFYNPSSA-N 0 0 608.790 4.977 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1c(C)cccc1CC ZINC000109247419 571428882 /nfs/dbraw/zinc/42/88/82/571428882.db2.gz RNHTZNJMHIMDTR-UHFFFAOYSA-N 0 0 528.476 4.758 40 30 KJEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1)S(C)(=O)=O ZINC000109252008 571428909 /nfs/dbraw/zinc/42/89/09/571428909.db2.gz BVSRSNUHGBGZOI-UHFFFAOYSA-N 0 0 535.647 4.845 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000109309340 571428884 /nfs/dbraw/zinc/42/88/84/571428884.db2.gz MDZNKWADGMWBFS-UXBLZVDNSA-N 0 0 562.479 4.849 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000109399989 571429130 /nfs/dbraw/zinc/42/91/30/571429130.db2.gz FLUKOKTYPHUFRF-UHFFFAOYSA-N 0 0 520.840 4.541 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000109652473 571429650 /nfs/dbraw/zinc/42/96/50/571429650.db2.gz NZNYVHYSUZHLGR-DHZHZOJOSA-N 0 0 532.453 4.840 40 30 KJEBRN O=S(=O)(c1ccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1)N1CCOCC1 ZINC000109946732 1066206053 /nfs/dbraw/zinc/20/60/53/1066206053.db2.gz GLBFJLVPPTYXAU-UHFFFAOYSA-N 0 0 535.676 4.791 40 30 KJEBRN O=S(=O)(c1cccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1)N1CCOCC1 ZINC000109953221 1066206209 /nfs/dbraw/zinc/20/62/09/1066206209.db2.gz DURQWWYVQVGDEH-UHFFFAOYSA-N 0 0 535.676 4.791 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000110048314 571430611 /nfs/dbraw/zinc/43/06/11/571430611.db2.gz FMUIGUZABIOUHC-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000110048814 571430629 /nfs/dbraw/zinc/43/06/29/571430629.db2.gz IIIXYULSZOLBEE-WYMLVPIESA-N 0 0 535.670 4.665 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000110156421 571430684 /nfs/dbraw/zinc/43/06/84/571430684.db2.gz XBAJDHPTLGJRCY-GTWFGUSFSA-N 0 0 565.091 4.596 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000110156427 571430750 /nfs/dbraw/zinc/43/07/50/571430750.db2.gz XBAJDHPTLGJRCY-SJJVXOANSA-N 0 0 565.091 4.596 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000110271539 571431012 /nfs/dbraw/zinc/43/10/12/571431012.db2.gz IUJVOIAHSJYBDO-INIZCTEOSA-N 0 0 536.683 4.506 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000110271543 571431013 /nfs/dbraw/zinc/43/10/13/571431013.db2.gz IUJVOIAHSJYBDO-MRXNPFEDSA-N 0 0 536.683 4.506 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000110323969 571431140 /nfs/dbraw/zinc/43/11/40/571431140.db2.gz SKDNNHXAVWNTFS-RIYZIHGNSA-N 0 0 535.670 4.665 40 30 KJEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000110381321 571431238 /nfs/dbraw/zinc/43/12/38/571431238.db2.gz HXNZADHDQYYBLH-DHZHZOJOSA-N 0 0 542.061 4.504 40 30 KJEBRN COc1ccccc1CN=Nc1nc(Nc2cc(Cl)c(C)cc2Br)nc(N2CCOCC2)n1 ZINC000110421081 571431174 /nfs/dbraw/zinc/43/11/74/571431174.db2.gz NCPPNQDWNHPMOG-DHRITJCHSA-N 0 0 532.830 4.631 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000110445831 571431342 /nfs/dbraw/zinc/43/13/42/571431342.db2.gz JCVNKOVDKNZDJR-UHFFFAOYSA-N 0 0 538.830 4.680 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000111460965 571432151 /nfs/dbraw/zinc/43/21/51/571432151.db2.gz FSFUODIHYSSQBL-WGARJPEWSA-N 0 0 507.503 4.982 40 30 KJEBRN COCCN(CCOC)c1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2C#N)c(NC(C)=O)c1 ZINC000111487277 1067214744 /nfs/dbraw/zinc/21/47/44/1067214744.db2.gz IMTYOCTYFKYQBZ-OCEACIFDSA-N 0 0 519.356 4.702 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(OC)c1OCC ZINC000111495006 571433365 /nfs/dbraw/zinc/43/33/65/571433365.db2.gz BEXGSQBQVDWKNM-IAOUMNOZSA-N 0 0 576.715 4.721 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(OC)c1OCC ZINC000111495010 571433393 /nfs/dbraw/zinc/43/33/93/571433393.db2.gz BEXGSQBQVDWKNM-RYOBIWAXSA-N 0 0 576.715 4.721 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OC ZINC000111495361 571433398 /nfs/dbraw/zinc/43/33/98/571433398.db2.gz AJPXVTLTEAKZFL-IAOUMNOZSA-N 0 0 576.715 4.721 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OC ZINC000111495365 571433405 /nfs/dbraw/zinc/43/34/05/571433405.db2.gz AJPXVTLTEAKZFL-RYOBIWAXSA-N 0 0 576.715 4.721 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000111495695 571433510 /nfs/dbraw/zinc/43/35/10/571433510.db2.gz PFNNCMAYRWSXTQ-GTWFGUSFSA-N 0 0 597.531 4.913 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000111495698 571433415 /nfs/dbraw/zinc/43/34/15/571433415.db2.gz PFNNCMAYRWSXTQ-SJJVXOANSA-N 0 0 597.531 4.913 40 30 KJEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000112244985 571435684 /nfs/dbraw/zinc/43/56/84/571435684.db2.gz RDSAEDZNPARLAG-UHFFFAOYSA-N 0 0 534.423 4.995 40 30 KJEBRN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000112244991 571435697 /nfs/dbraw/zinc/43/56/97/571435697.db2.gz ZAGVKFUFAJDNTF-UHFFFAOYSA-N 0 0 534.423 4.941 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000112245785 571435856 /nfs/dbraw/zinc/43/58/56/571435856.db2.gz AQJCCUPRYGNWBD-UHFFFAOYSA-N 0 0 534.423 4.995 40 30 KJEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000112245959 571435840 /nfs/dbraw/zinc/43/58/40/571435840.db2.gz HZEHNOAPNUMTBW-UHFFFAOYSA-N 0 0 534.423 4.995 40 30 KJEBRN C#CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000112254177 571436920 /nfs/dbraw/zinc/43/69/20/571436920.db2.gz NTRFGCYSMZQULJ-PQRKSKNISA-N 0 0 531.637 4.539 40 30 KJEBRN C#CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000112254179 571436917 /nfs/dbraw/zinc/43/69/17/571436917.db2.gz NTRFGCYSMZQULJ-NNAGEYCMSA-N 0 0 531.637 4.539 40 30 KJEBRN CC(C)Oc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1I ZINC000112254882 571437066 /nfs/dbraw/zinc/43/70/66/571437066.db2.gz MUDDLALLQKVYKC-UFWORHAWSA-N 0 0 596.119 4.945 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000112263761 571437830 /nfs/dbraw/zinc/43/78/30/571437830.db2.gz YIESMFCNQINZNU-QFIPXVFZSA-N 0 0 542.061 4.762 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000112263762 571437869 /nfs/dbraw/zinc/43/78/69/571437869.db2.gz YIESMFCNQINZNU-JOCHJYFZSA-N 0 0 542.061 4.762 40 30 KJEBRN C=CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000112263766 571437813 /nfs/dbraw/zinc/43/78/13/571437813.db2.gz XANJBRNYDBEOQD-VWLOTQADSA-N 0 0 553.132 4.686 40 30 KJEBRN C=CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000112263767 571437849 /nfs/dbraw/zinc/43/78/49/571437849.db2.gz XANJBRNYDBEOQD-RUZDIDTESA-N 0 0 553.132 4.686 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000112263870 571437940 /nfs/dbraw/zinc/43/79/40/571437940.db2.gz BQTMOSCZNBXVBO-QFIPXVFZSA-N 0 0 542.061 4.762 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000112263872 571437944 /nfs/dbraw/zinc/43/79/44/571437944.db2.gz BQTMOSCZNBXVBO-JOCHJYFZSA-N 0 0 542.061 4.762 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000112263891 571437938 /nfs/dbraw/zinc/43/79/38/571437938.db2.gz ZXNWAGBTXPUGQC-UHFFFAOYSA-N 0 0 555.831 4.993 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000112264017 571437911 /nfs/dbraw/zinc/43/79/11/571437911.db2.gz YZDXIWHTNIOVKM-ZDUSSCGKSA-N 0 0 535.413 4.901 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000112264018 571437926 /nfs/dbraw/zinc/43/79/26/571437926.db2.gz YZDXIWHTNIOVKM-CYBMUJFWSA-N 0 0 535.413 4.901 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000112264260 571437970 /nfs/dbraw/zinc/43/79/70/571437970.db2.gz QXCOSPZLEQUCAH-NRFANRHFSA-N 0 0 529.022 4.884 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000112264263 571437924 /nfs/dbraw/zinc/43/79/24/571437924.db2.gz QXCOSPZLEQUCAH-OAQYLSRUSA-N 0 0 529.022 4.884 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000112264324 571438108 /nfs/dbraw/zinc/43/81/08/571438108.db2.gz GQWIBDMDYIHQSR-UHFFFAOYSA-N 0 0 535.413 4.648 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)OCCC)c1 ZINC000112264459 571438073 /nfs/dbraw/zinc/43/80/73/571438073.db2.gz PCPIQNZCBVNZSI-UHFFFAOYSA-N 0 0 562.479 4.999 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000112264582 571438098 /nfs/dbraw/zinc/43/80/98/571438098.db2.gz GPUZHRBFUXVDDF-UHFFFAOYSA-N 0 0 562.479 4.997 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000112264694 571438031 /nfs/dbraw/zinc/43/80/31/571438031.db2.gz PISMXYYFAMKWBJ-UHFFFAOYSA-N 0 0 548.452 4.608 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000112265099 571438232 /nfs/dbraw/zinc/43/82/32/571438232.db2.gz XVOPOAQIWZJEAM-UHFFFAOYSA-N 0 0 535.413 4.648 40 30 KJEBRN C=CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000112265111 571438247 /nfs/dbraw/zinc/43/82/47/571438247.db2.gz WHFSVXOGYUUOSV-SFHVURJKSA-N 0 0 559.523 4.703 40 30 KJEBRN C=CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000112265113 571438326 /nfs/dbraw/zinc/43/83/26/571438326.db2.gz WHFSVXOGYUUOSV-GOSISDBHSA-N 0 0 559.523 4.703 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000112265437 571438371 /nfs/dbraw/zinc/43/83/71/571438371.db2.gz PRMGCTBFPPIGEH-AWEZNQCLSA-N 0 0 548.452 4.779 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000112265438 571438352 /nfs/dbraw/zinc/43/83/52/571438352.db2.gz PRMGCTBFPPIGEH-CQSZACIVSA-N 0 0 548.452 4.779 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000112265440 571438421 /nfs/dbraw/zinc/43/84/21/571438421.db2.gz LAANMVBGLOXJJX-AWEZNQCLSA-N 0 0 548.452 4.779 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000112265442 571438419 /nfs/dbraw/zinc/43/84/19/571438419.db2.gz LAANMVBGLOXJJX-CQSZACIVSA-N 0 0 548.452 4.779 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1cccs1 ZINC000113831318 571442520 /nfs/dbraw/zinc/44/25/20/571442520.db2.gz FEZBJUQSPROLKU-OVVQPSECSA-N 0 0 521.647 4.588 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccc(C)cc1 ZINC000113831464 571442471 /nfs/dbraw/zinc/44/24/71/571442471.db2.gz YYIAEWSVGWKNHM-TWKHWXDSSA-N 0 0 529.645 4.834 40 30 KJEBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1ccccc1C#N ZINC000113832066 571442495 /nfs/dbraw/zinc/44/24/95/571442495.db2.gz BTVFYFWQFQQPCV-UUYOSTAYSA-N 0 0 565.392 4.521 40 30 KJEBRN C=CCCC[C@@H]1C[C@H]1OC(=O)N[C@H](C(=O)N1C[C@H](Oc2nc3cc(OC)ccc3nc2Cl)C[C@H]1C(=O)OC)C(C)(C)C ZINC000118229332 1067214714 /nfs/dbraw/zinc/21/47/14/1067214714.db2.gz MPVWHHNFEXCUQC-PCRSXPRCSA-N 0 0 603.116 4.699 40 30 KJEBRN CC(=O)NC[C@H](C)C[C@@H]1C(=O)C(C)=C2[C@@]1(O)C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000118916394 571444082 /nfs/dbraw/zinc/44/40/82/571444082.db2.gz NDJRZSBYTALTDY-JMPSNWIGSA-N 0 0 511.703 4.900 40 30 KJEBRN CC(=O)NC[C@H](C)C[C@H]1C(=O)C(C)=C2[C@@]3(C)CC[C@H]4[C@@H](CC=C5C[C@@H](OC(C)=O)CC[C@@]54C)[C@@H]3C[C@@]21O ZINC000118916395 571444119 /nfs/dbraw/zinc/44/41/19/571444119.db2.gz NDJRZSBYTALTDY-DBRIMOGXSA-N 0 0 511.703 4.900 40 30 KJEBRN CC(=O)NC[C@H](C)C[C@H]1C(=O)C(C)=C2[C@@]1(O)C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000118916396 571444096 /nfs/dbraw/zinc/44/40/96/571444096.db2.gz NDJRZSBYTALTDY-GMKWYLFFSA-N 0 0 511.703 4.900 40 30 KJEBRN CC(C)C(=O)OCC(=O)[C@]12O[C@@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C ZINC000118916684 571444103 /nfs/dbraw/zinc/44/41/03/571444103.db2.gz LUKZNWIVRBCLON-GYIOSCBRSA-N 0 0 540.697 4.704 40 30 KJEBRN CC(C)C(=O)OCC(=O)[C@]12O[C@@H](C3CCCCC3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C ZINC000118916685 571444104 /nfs/dbraw/zinc/44/41/04/571444104.db2.gz LUKZNWIVRBCLON-YMZGTDBOSA-N 0 0 540.697 4.704 40 30 KJEBRN COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118918502 571444711 /nfs/dbraw/zinc/44/47/11/571444711.db2.gz SEORXHZLSXQMQN-RHRGMEQQSA-N 0 0 522.686 4.583 40 30 KJEBRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118918503 571444655 /nfs/dbraw/zinc/44/46/55/571444655.db2.gz SEORXHZLSXQMQN-RJTQOYCYSA-N 0 0 522.686 4.583 40 30 KJEBRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118918504 571444713 /nfs/dbraw/zinc/44/47/13/571444713.db2.gz SEORXHZLSXQMQN-QCJJTUGRSA-N 0 0 522.686 4.583 40 30 KJEBRN Cc1ccc([C@H](O)CNC(=O)CCC(=O)O[C@@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cn1 ZINC000118918656 571444849 /nfs/dbraw/zinc/44/48/49/571444849.db2.gz ZVCSWJZDRZUPCV-PEOBFQPNSA-N 0 0 522.686 4.764 40 30 KJEBRN Cc1ccc([C@@H](O)CNC(=O)CCC(=O)O[C@@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cn1 ZINC000118918657 571444787 /nfs/dbraw/zinc/44/47/87/571444787.db2.gz ZVCSWJZDRZUPCV-ZBWOKTDWSA-N 0 0 522.686 4.764 40 30 KJEBRN Cc1ccc([C@H](O)CNC(=O)CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cn1 ZINC000118918658 571444794 /nfs/dbraw/zinc/44/47/94/571444794.db2.gz ZVCSWJZDRZUPCV-ORJUUISASA-N 0 0 522.686 4.764 40 30 KJEBRN Cc1ccc([C@@H](O)CNC(=O)CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cn1 ZINC000118918659 571444862 /nfs/dbraw/zinc/44/48/62/571444862.db2.gz ZVCSWJZDRZUPCV-FPDJDMDVSA-N 0 0 522.686 4.764 40 30 KJEBRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918723 571444903 /nfs/dbraw/zinc/44/49/03/571444903.db2.gz VOSGUYKLNFVTOE-UUMSTVJOSA-N 0 0 581.706 4.522 40 30 KJEBRN COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918724 571444905 /nfs/dbraw/zinc/44/49/05/571444905.db2.gz VOSGUYKLNFVTOE-GVRNWNSVSA-N 0 0 581.706 4.522 40 30 KJEBRN COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918725 571444885 /nfs/dbraw/zinc/44/48/85/571444885.db2.gz VOSGUYKLNFVTOE-OPZJVFPDSA-N 0 0 581.706 4.522 40 30 KJEBRN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918929 571445294 /nfs/dbraw/zinc/44/52/94/571445294.db2.gz NJGWSWKGLBTOIW-JOYUANJCSA-N 0 0 504.671 4.751 40 30 KJEBRN CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000118919053 571445550 /nfs/dbraw/zinc/44/55/50/571445550.db2.gz BZFPOLTTZCWCHL-OQBQJYIOSA-N 0 0 564.723 4.845 40 30 KJEBRN CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000118919054 571445543 /nfs/dbraw/zinc/44/55/43/571445543.db2.gz BZFPOLTTZCWCHL-YVSAWJOISA-N 0 0 564.723 4.845 40 30 KJEBRN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000118919055 571445541 /nfs/dbraw/zinc/44/55/41/571445541.db2.gz BZFPOLTTZCWCHL-MUVOPNLYSA-N 0 0 564.723 4.845 40 30 KJEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCCC1 ZINC000118919112 571445613 /nfs/dbraw/zinc/44/56/13/571445613.db2.gz QEEYDUHHZBDGIS-CFRHILBGSA-N 0 0 541.729 4.838 40 30 KJEBRN COc1ccc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 ZINC000118919117 571445636 /nfs/dbraw/zinc/44/56/36/571445636.db2.gz PXWJXRKZSOAIFC-FAYGLSSFSA-N 0 0 579.734 4.509 40 30 KJEBRN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921955 571446573 /nfs/dbraw/zinc/44/65/73/571446573.db2.gz OALMXEBVZQVGQD-MYVAFFFXSA-N 0 0 565.707 4.816 40 30 KJEBRN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921956 571446616 /nfs/dbraw/zinc/44/66/16/571446616.db2.gz OALMXEBVZQVGQD-FWWKLOAASA-N 0 0 565.707 4.816 40 30 KJEBRN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](OC(=O)CC)C[C@@]21C ZINC000118922629 571446720 /nfs/dbraw/zinc/44/67/20/571446720.db2.gz MWHBGLRGUXAGHT-DEUAAYBFSA-N 0 0 560.659 4.778 40 30 KJEBRN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000123416556 571448614 /nfs/dbraw/zinc/44/86/14/571448614.db2.gz NNYUDLQXONVMAY-KPOFYYBASA-N 0 0 554.699 4.663 40 30 KJEBRN C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000123416803 571448651 /nfs/dbraw/zinc/44/86/51/571448651.db2.gz NNYUDLQXONVMAY-SCVZMLTKSA-N 0 0 554.699 4.663 40 30 KJEBRN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000123416989 571448637 /nfs/dbraw/zinc/44/86/37/571448637.db2.gz NNYUDLQXONVMAY-MLWZVRSSSA-N 0 0 554.699 4.663 40 30 KJEBRN C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000123417123 571448624 /nfs/dbraw/zinc/44/86/24/571448624.db2.gz NNYUDLQXONVMAY-VDOFVVGCSA-N 0 0 554.699 4.663 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000136019943 571449174 /nfs/dbraw/zinc/44/91/74/571449174.db2.gz PNKDGQRLKZMWGL-CHFBXGIFSA-N 0 0 550.641 4.542 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000136019985 571449195 /nfs/dbraw/zinc/44/91/95/571449195.db2.gz PNKDGQRLKZMWGL-IDQFJPSWSA-N 0 0 550.641 4.542 40 30 KJEBRN CCc1cc(Br)ccc1N1C(=O)C[C@@H](N2CCNC2=C2CCC(=Cc3ccc(Cl)cc3)C2=O)C1=O ZINC000136159204 571449212 /nfs/dbraw/zinc/44/92/12/571449212.db2.gz LNFPDWQIJCMRIR-MIYWXURMSA-N 0 0 554.872 4.860 40 30 KJEBRN CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000137264676 571450185 /nfs/dbraw/zinc/45/01/85/571450185.db2.gz KFIMAISRYKOVEV-BQDQBOKASA-N 0 0 547.681 4.836 40 30 KJEBRN CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000137264718 571450299 /nfs/dbraw/zinc/45/02/99/571450299.db2.gz KFIMAISRYKOVEV-BGAGUYJMSA-N 0 0 547.681 4.836 40 30 KJEBRN COc1ccccc1[C@@H]1[C@]2(C#N)CN(c3ccccc3)C[C@@]1(C#N)C(=S)N1CN(c3ccccc3)CN=C12 ZINC000137763855 571450403 /nfs/dbraw/zinc/45/04/03/571450403.db2.gz SIPHZQAELDGGRL-JJZPZGAKSA-N 0 0 518.646 4.796 40 30 KJEBRN COc1ccccc1[C@H]1[C@]2(C#N)CN(c3ccccc3)C[C@@]1(C#N)C(=S)N1CN(c3ccccc3)CN=C12 ZINC000137763978 571450500 /nfs/dbraw/zinc/45/05/00/571450500.db2.gz SIPHZQAELDGGRL-BHBSRLOASA-N 0 0 518.646 4.796 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000145528373 571456613 /nfs/dbraw/zinc/45/66/13/571456613.db2.gz AELBDDWBNOPJJK-PQRKSKNISA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000145528624 571456621 /nfs/dbraw/zinc/45/66/21/571456621.db2.gz AELBDDWBNOPJJK-NNAGEYCMSA-N 0 0 506.627 4.892 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150343896 571459159 /nfs/dbraw/zinc/45/91/59/571459159.db2.gz OGOURXCFZREIAM-VOMPUTFMSA-N 0 0 718.376 4.634 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150343898 571459180 /nfs/dbraw/zinc/45/91/80/571459180.db2.gz OGOURXCFZREIAM-YWFITGJYSA-N 0 0 718.376 4.634 40 30 KJEBRN O=C1C=C(Nc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C(=O)C=C1Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000150348058 571461076 /nfs/dbraw/zinc/46/10/76/571461076.db2.gz DFGHDUBXLZWTBK-UHFFFAOYSA-N 0 0 690.672 4.548 40 30 KJEBRN N=C(N[C@@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)c1ccc(C(=N)N[C@@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)cc1 ZINC000150352949 571462537 /nfs/dbraw/zinc/46/25/37/571462537.db2.gz YPGOMASSOREYCW-UWVGGRQHSA-N 0 0 648.986 4.701 40 30 KJEBRN N=C(N[C@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)c1ccc(C(=N)N[C@@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)cc1 ZINC000150352953 571462518 /nfs/dbraw/zinc/46/25/18/571462518.db2.gz YPGOMASSOREYCW-AOOOYVTPSA-N 0 0 648.986 4.701 40 30 KJEBRN N=C(N[C@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)c1ccc(C(=N)N[C@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)cc1 ZINC000150352957 571462569 /nfs/dbraw/zinc/46/25/69/571462569.db2.gz YPGOMASSOREYCW-NXEZZACHSA-N 0 0 648.986 4.701 40 30 KJEBRN Cc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 ZINC000150358597 571463589 /nfs/dbraw/zinc/46/35/89/571463589.db2.gz OBTVNQPGKSOZEC-UHFFFAOYSA-N 0 0 643.585 4.510 40 30 KJEBRN O=S(=O)(OCC#CCOS(=O)(=O)c1cc(Br)ccc1Br)c1cc(Br)ccc1Br ZINC000150367149 571465023 /nfs/dbraw/zinc/46/50/23/571465023.db2.gz IJMTZNQQTBFVAE-UHFFFAOYSA-N 0 0 682.000 4.851 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000150367184 571465042 /nfs/dbraw/zinc/46/50/42/571465042.db2.gz CECLIUBVSZPXGF-RIYZIHGNSA-N 0 0 634.595 4.780 40 30 KJEBRN Fc1ccccc1COc1c(Br)cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1Br ZINC000150372059 571465941 /nfs/dbraw/zinc/46/59/41/571465941.db2.gz UTMKBXHAQURTGY-WKULSOCRSA-N 0 0 635.336 4.998 40 30 KJEBRN Fc1ccc(COc2c(Br)cc(CN=Nc3nc(N4CCCC4)nc(N4CCOCC4)n3)cc2Br)cc1 ZINC000150373764 571466229 /nfs/dbraw/zinc/46/62/29/571466229.db2.gz NNJGWMDMBWBJPQ-WKULSOCRSA-N 0 0 635.336 4.998 40 30 KJEBRN NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)CC1 ZINC000150375983 571466436 /nfs/dbraw/zinc/46/64/36/571466436.db2.gz VIYHSRDEJKBGMH-KBVAKVRCSA-N 0 0 635.684 4.534 40 30 KJEBRN NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 ZINC000150375996 571466365 /nfs/dbraw/zinc/46/63/65/571466365.db2.gz YPDDYEDYHSKGFA-RWPZCVJISA-N 0 0 641.713 4.596 40 30 KJEBRN CC(=O)Oc1cc2c(cc1Cl)C1(OC(=O)c3cc(C(=O)ON4C(=O)CCC4=O)ccc31)c1cc(Cl)c(OC(C)=O)cc1O2 ZINC000150377244 571466466 /nfs/dbraw/zinc/46/64/66/571466466.db2.gz WNFQKOAKDVHNLA-UHFFFAOYSA-N 0 0 626.357 4.633 40 30 KJEBRN CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OS(=O)(=O)c2ccc(Br)cc2)[C@H]1OS(=O)(=O)c1ccc(Br)cc1 ZINC000150378816 571466829 /nfs/dbraw/zinc/46/68/29/571466829.db2.gz RNFGBTHQHMLTGH-QCVMBYIASA-N 0 0 720.410 4.545 40 30 KJEBRN CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OS(=O)(=O)c2ccc(Br)cc2)[C@H]1OS(=O)(=O)c1ccc(Br)cc1 ZINC000150378819 571466731 /nfs/dbraw/zinc/46/67/31/571466731.db2.gz RNFGBTHQHMLTGH-KTKTTYTDSA-N 0 0 720.410 4.545 40 30 KJEBRN CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OS(=O)(=O)c2ccc(Br)cc2)[C@@H]1OS(=O)(=O)c1ccc(Br)cc1 ZINC000150378821 571466849 /nfs/dbraw/zinc/46/68/49/571466849.db2.gz RNFGBTHQHMLTGH-KHHRQSBUSA-N 0 0 720.410 4.545 40 30 KJEBRN CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OS(=O)(=O)c2ccc(Br)cc2)[C@@H]1OS(=O)(=O)c1ccc(Br)cc1 ZINC000150378823 571466736 /nfs/dbraw/zinc/46/67/36/571466736.db2.gz RNFGBTHQHMLTGH-STZAGRCGSA-N 0 0 720.410 4.545 40 30 KJEBRN N#CCCN(CCC#N)S(=O)(=O)c1ccc(Nc2ccc(O)c3c2C(=O)c2c(O)ccc(Nc4ccc(S(=O)(=O)N(CCC#N)CCC#N)cc4)c2C3=O)cc1 ZINC000150382750 571467469 /nfs/dbraw/zinc/46/74/69/571467469.db2.gz JHMQQUYRSOPIRG-UHFFFAOYSA-N 0 0 792.856 4.997 40 30 KJEBRN O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)c(S(=O)(=O)N(CCCO)Cc2ccccc2)c1 ZINC000150384245 571468259 /nfs/dbraw/zinc/46/82/59/571468259.db2.gz PRVYMKUZLJTXEO-HPNXWYHWSA-N 0 0 731.788 4.573 40 30 KJEBRN O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000150385111 571468524 /nfs/dbraw/zinc/46/85/24/571468524.db2.gz SUUPKZXXBWXPRV-GOJREDGKSA-N 0 0 728.788 4.511 40 30 KJEBRN O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000150385118 571468605 /nfs/dbraw/zinc/46/86/05/571468605.db2.gz XDULVWUUCVMHFF-GUBAARJWSA-N 0 0 742.815 4.506 40 30 KJEBRN CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000150385247 571468631 /nfs/dbraw/zinc/46/86/31/571468631.db2.gz DBQSZZQIHPBVJB-WUWDYQJCSA-N 0 0 710.779 4.605 40 30 KJEBRN CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000150385249 571468651 /nfs/dbraw/zinc/46/86/51/571468651.db2.gz DBQSZZQIHPBVJB-HAVNOEEISA-N 0 0 710.779 4.605 40 30 KJEBRN CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000150385250 571468629 /nfs/dbraw/zinc/46/86/29/571468629.db2.gz DBQSZZQIHPBVJB-OGZSXUKCSA-N 0 0 710.779 4.605 40 30 KJEBRN CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000150385252 571468619 /nfs/dbraw/zinc/46/86/19/571468619.db2.gz DBQSZZQIHPBVJB-ODDQUXJKSA-N 0 0 710.779 4.605 40 30 KJEBRN CCCCN(CCCC)N=CC1=C2NC(=O)C(C)=CC=C[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](OC)C[C@@H](C)C=C(C2=O)C(OC)C1=O ZINC000150388772 571471037 /nfs/dbraw/zinc/47/10/37/571471037.db2.gz RCZLSCFNPDTDPD-CTWCEAHCSA-N 0 0 714.901 4.667 40 30 KJEBRN CCCCN(CCCC)N=CC1=C2NC(=O)C(C)=CC=C[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](OC)C[C@@H](C)C=C(C2=O)C(OC)C1=O ZINC000150388773 571471023 /nfs/dbraw/zinc/47/10/23/571471023.db2.gz RCZLSCFNPDTDPD-KDLVHTSDSA-N 0 0 714.901 4.667 40 30 KJEBRN CCCCN(CCCC)N=CC1=C2NC(=O)C(C)=CC=C[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](OC)C[C@@H](C)C=C(C2=O)C(OC)C1=O ZINC000150388774 571471094 /nfs/dbraw/zinc/47/10/94/571471094.db2.gz RCZLSCFNPDTDPD-YJUZNFCUSA-N 0 0 714.901 4.667 40 30 KJEBRN CCCCN(CCCC)N=CC1=C2NC(=O)C(C)=CC=C[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](OC)C[C@@H](C)C=C(C2=O)C(OC)C1=O ZINC000150388775 571471065 /nfs/dbraw/zinc/47/10/65/571471065.db2.gz RCZLSCFNPDTDPD-LKQVIBFUSA-N 0 0 714.901 4.667 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150389757 571471966 /nfs/dbraw/zinc/47/19/66/571471966.db2.gz KITLSCDANBPJSI-CBYYHRJHSA-N 0 0 786.426 4.980 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150389758 571471961 /nfs/dbraw/zinc/47/19/61/571471961.db2.gz KITLSCDANBPJSI-PNZYDNNZSA-N 0 0 786.426 4.980 40 30 KJEBRN C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000150389816 571472086 /nfs/dbraw/zinc/47/20/86/571472086.db2.gz UXTNPNSRDOPJRJ-RILDQMMFSA-N 0 0 679.756 4.809 40 30 KJEBRN C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000150389821 571472072 /nfs/dbraw/zinc/47/20/72/571472072.db2.gz UXTNPNSRDOPJRJ-QIWAXZFOSA-N 0 0 679.756 4.809 40 30 KJEBRN C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000150389847 571472065 /nfs/dbraw/zinc/47/20/65/571472065.db2.gz CJOQVCNCIZFZAE-NYFSNJMSSA-N 0 0 679.756 4.809 40 30 KJEBRN C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000150389853 571472088 /nfs/dbraw/zinc/47/20/88/571472088.db2.gz CJOQVCNCIZFZAE-XBJOCOQJSA-N 0 0 679.756 4.809 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150396325 571476499 /nfs/dbraw/zinc/47/64/99/571476499.db2.gz LAUQJJMGDBDOPZ-VLOXRPPESA-N 0 0 730.337 4.711 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150396328 571476443 /nfs/dbraw/zinc/47/64/43/571476443.db2.gz LAUQJJMGDBDOPZ-WLJFKGHSSA-N 0 0 730.337 4.711 40 30 KJEBRN CCCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000150398175 571477188 /nfs/dbraw/zinc/47/71/88/571477188.db2.gz UNUSJZCFQPZSSR-UZWMFBFFSA-N 0 0 667.745 4.811 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000150398721 571477315 /nfs/dbraw/zinc/47/73/15/571477315.db2.gz SLLXAJJRASLYMB-QEYQTOMISA-N 0 0 648.510 4.748 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000150398724 571477321 /nfs/dbraw/zinc/47/73/21/571477321.db2.gz SLLXAJJRASLYMB-OXIKZWMZSA-N 0 0 648.510 4.748 40 30 KJEBRN CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000150399310 571477520 /nfs/dbraw/zinc/47/75/20/571477520.db2.gz MIYACKMVRFHJCE-UZWMFBFFSA-N 0 0 667.745 4.811 40 30 KJEBRN CCOC(=O)C(C(=O)OCC)(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)C(C(=O)OCC)(C(=O)OCC)c1ccccc1)c1ccccc1 ZINC000150423442 571488855 /nfs/dbraw/zinc/48/88/55/571488855.db2.gz PWJXABIWLOFGEJ-UHFFFAOYSA-N 0 0 726.566 4.794 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000150424511 571489158 /nfs/dbraw/zinc/48/91/58/571489158.db2.gz RZYBYTPFABIGER-JYCKYRCOSA-N 0 0 628.998 4.840 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000150424514 571489189 /nfs/dbraw/zinc/48/91/89/571489189.db2.gz RZYBYTPFABIGER-OGABMLMYSA-N 0 0 628.998 4.840 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000150424517 571489191 /nfs/dbraw/zinc/48/91/91/571489191.db2.gz RZYBYTPFABIGER-PITQIPGUSA-N 0 0 628.998 4.840 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000150424519 571489182 /nfs/dbraw/zinc/48/91/82/571489182.db2.gz RZYBYTPFABIGER-UXXJNNTFSA-N 0 0 628.998 4.840 40 30 KJEBRN N#CCCN(C(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N(CCC#N)c3ccccc3)C2=O)SC1=S)c1ccccc1 ZINC000150426189 571490520 /nfs/dbraw/zinc/49/05/20/571490520.db2.gz BEOYWGQQOYMFNO-OCEACIFDSA-N 0 0 662.844 4.593 40 30 KJEBRN CCOC(=O)CN1C(=O)S/C(=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)C1=O ZINC000150427002 571491470 /nfs/dbraw/zinc/49/14/70/571491470.db2.gz UUKUJDFHZYISKL-QGMBQPNBSA-N 0 0 674.254 4.946 40 30 KJEBRN CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)NCCN1CCN(C(=NNc2cc(Cl)ccc2Cl)C(=O)OCC)CC1 ZINC000150431524 571493617 /nfs/dbraw/zinc/49/36/17/571493617.db2.gz UJMQHQKJRVYQRI-JWHWKPFMSA-N 0 0 647.391 4.785 40 30 KJEBRN COc1cccc(NC(=O)CC(=O)NN2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000150435912 562843401 /nfs/dbraw/zinc/84/34/01/562843401.db2.gz LAWVUTPUQRGQFK-QRQIAZFYSA-N 0 0 655.071 4.580 40 30 KJEBRN COc1cccc(NC(=O)CC(=O)NN2C(=O)/C(=C\c3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000150435914 571496067 /nfs/dbraw/zinc/49/60/67/571496067.db2.gz LAWVUTPUQRGQFK-OGLMXYFKSA-N 0 0 655.071 4.580 40 30 KJEBRN c1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000150441215 571498370 /nfs/dbraw/zinc/49/83/70/571498370.db2.gz NKXSKKUFSLEQKH-DKKRNIPZSA-N 0 0 652.856 4.910 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1I ZINC000150443871 571499613 /nfs/dbraw/zinc/49/96/13/571499613.db2.gz TWMJLJGLHNDNKA-BOPFTXTBSA-N 0 0 644.228 4.583 40 30 KJEBRN CN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000150445898 571500925 /nfs/dbraw/zinc/50/09/25/571500925.db2.gz BEHHQOHOLOVGMO-FMFFXOCNSA-N 0 0 679.756 4.953 40 30 KJEBRN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)c(I)c1 ZINC000150446532 571500912 /nfs/dbraw/zinc/50/09/12/571500912.db2.gz QJFDJESKGHAZCZ-FIOJILPZSA-N 0 0 634.339 4.948 40 30 KJEBRN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)c(I)c1 ZINC000150446536 571500917 /nfs/dbraw/zinc/50/09/17/571500917.db2.gz QJFDJESKGHAZCZ-RIRGPFDCSA-N 0 0 634.339 4.948 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450729 571502617 /nfs/dbraw/zinc/50/26/17/571502617.db2.gz KUZZJWVGOBAOQL-ZDEZRRDYSA-N 0 0 628.435 4.744 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450733 571502566 /nfs/dbraw/zinc/50/25/66/571502566.db2.gz KUZZJWVGOBAOQL-ZRIRBKMQSA-N 0 0 628.435 4.744 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450737 571502533 /nfs/dbraw/zinc/50/25/33/571502533.db2.gz KUZZJWVGOBAOQL-MIRJVGOZSA-N 0 0 628.435 4.744 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450774 571502552 /nfs/dbraw/zinc/50/25/52/571502552.db2.gz LBPJACZUUPIXHK-XXWKMLLLSA-N 0 0 641.474 4.607 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450778 571502611 /nfs/dbraw/zinc/50/26/11/571502611.db2.gz LBPJACZUUPIXHK-HYJYBNJOSA-N 0 0 641.474 4.607 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450781 571502605 /nfs/dbraw/zinc/50/26/05/571502605.db2.gz LBPJACZUUPIXHK-JGZPXTCXSA-N 0 0 641.474 4.607 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450785 571502601 /nfs/dbraw/zinc/50/26/01/571502601.db2.gz AAGHCPNXUMZKEU-HJCWDVFASA-N 0 0 627.447 4.564 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450788 571502577 /nfs/dbraw/zinc/50/25/77/571502577.db2.gz AAGHCPNXUMZKEU-HLJLCZKJSA-N 0 0 627.447 4.564 40 30 KJEBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450793 571502618 /nfs/dbraw/zinc/50/26/18/571502618.db2.gz AAGHCPNXUMZKEU-ZTHQAGOMSA-N 0 0 627.447 4.564 40 30 KJEBRN COc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n(-c3cccc(C)c3)c2=O)c(OC)c1 ZINC000150466514 571507779 /nfs/dbraw/zinc/50/77/79/571507779.db2.gz WITHHYKIHAYVNP-ZHIVJJNNSA-N 0 0 656.808 4.662 40 30 KJEBRN Cc1ccc(-n2c(=O)/c(=C\c3ccc(C(F)(F)F)cc3)s/c2=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC000150466543 571507933 /nfs/dbraw/zinc/50/79/33/571507933.db2.gz SYHAIPPGUPUMOP-TVHMLZPVSA-N 0 0 666.747 4.851 40 30 KJEBRN Cc1c(Cl)cccc1-n1c(=O)/c(=C\c2cccnc2)s/c1=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150466872 571508102 /nfs/dbraw/zinc/50/81/02/571508102.db2.gz QKNXUYLBLKWODN-BFOMMTNLSA-N 0 0 632.189 4.693 40 30 KJEBRN Cc1c(Cl)cccc1-n1c(=O)/c(=C\c2ccncc2)s/c1=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150466883 571508100 /nfs/dbraw/zinc/50/81/00/571508100.db2.gz SFOSDUNISMTGKW-KEUUJXMGSA-N 0 0 632.189 4.693 40 30 KJEBRN COc1ccc(Cn2c(=O)/c(=C\c3c(F)cccc3F)s/c2=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000150467321 571508135 /nfs/dbraw/zinc/50/81/35/571508135.db2.gz WJRCPHMFEFCVQB-FOHVXRSGSA-N 0 0 662.762 4.682 40 30 KJEBRN COc1ccc(-n2c(=O)/c(=C\c3ccc(OC)c(OC)c3OC)s/c2=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000150470277 571509215 /nfs/dbraw/zinc/50/92/15/571509215.db2.gz POCDQXPGVSLATJ-PBHUFMQGSA-N 0 0 646.043 4.747 40 30 KJEBRN CCOc1ccc(-n2c(=O)/c(=C\c3ccc(OC)c(OC)c3OC)s/c2=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000150470278 571509236 /nfs/dbraw/zinc/50/92/36/571509236.db2.gz CASUOAUCJDKPRV-USONOZEJSA-N 0 0 626.518 4.772 40 30 KJEBRN Cc1ccc(-n2c(=O)/c(=C\c3ccc(C(F)(F)F)cc3)s/c2=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C ZINC000150471350 571509567 /nfs/dbraw/zinc/50/95/67/571509567.db2.gz DNJWJSLCQVQZKT-MEKUNJJKSA-N 0 0 666.747 4.851 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000150473230 571510350 /nfs/dbraw/zinc/51/03/50/571510350.db2.gz MDTXSEUMNYDRFO-YNHKYIDWSA-N 0 0 682.659 4.984 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000150473236 571510401 /nfs/dbraw/zinc/51/04/01/571510401.db2.gz MDTXSEUMNYDRFO-QLVDTAGPSA-N 0 0 682.659 4.984 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000150473242 571510380 /nfs/dbraw/zinc/51/03/80/571510380.db2.gz MDTXSEUMNYDRFO-NDHXIXBKSA-N 0 0 682.659 4.984 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000150473245 571510357 /nfs/dbraw/zinc/51/03/57/571510357.db2.gz MDTXSEUMNYDRFO-SVVQJSPWSA-N 0 0 682.659 4.984 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000150494003 571517518 /nfs/dbraw/zinc/51/75/18/571517518.db2.gz MLSWOIMBTTVNHI-QCHPHUCNSA-N 0 0 726.374 4.881 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000150494009 571517538 /nfs/dbraw/zinc/51/75/38/571517538.db2.gz MLSWOIMBTTVNHI-VZIOXZNFSA-N 0 0 726.374 4.881 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150497136 571518122 /nfs/dbraw/zinc/51/81/22/571518122.db2.gz OKGGDHMVUOIZEP-XOYGFPHKSA-N 0 0 742.373 4.581 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150497138 571518053 /nfs/dbraw/zinc/51/80/53/571518053.db2.gz OKGGDHMVUOIZEP-YJADQXIJSA-N 0 0 742.373 4.581 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150497409 571518260 /nfs/dbraw/zinc/51/82/60/571518260.db2.gz YUXXYUZPRUWIPO-RWTNITNYSA-N 0 0 772.399 4.590 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000150497413 571518167 /nfs/dbraw/zinc/51/81/67/571518167.db2.gz YUXXYUZPRUWIPO-MFUBYVTQSA-N 0 0 772.399 4.590 40 30 KJEBRN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNn1cnnc1)C(=O)C(=O)C3C(C)C)C(=CNn1cnnc1)C(=O)C(=O)C2C(C)C ZINC000150583621 571521807 /nfs/dbraw/zinc/52/18/07/571521807.db2.gz ZETGSLDZXCYTBN-KGIZCEIGSA-N 0 0 650.696 4.749 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(I)cc1C(C)C ZINC000150592486 571522207 /nfs/dbraw/zinc/52/22/07/571522207.db2.gz KMHRLGPCDIWUBG-UHFFFAOYSA-N 0 0 635.528 4.870 40 30 KJEBRN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNC(N)=S)C(=O)C(=O)C3C(C)C)C(=CNC(N)=S)C(=O)C(=O)C2C(C)C ZINC000150611875 571523042 /nfs/dbraw/zinc/52/30/42/571523042.db2.gz NPQXIJOWKIWKMS-XFQWXJFMSA-N 0 0 634.780 4.745 40 30 KJEBRN Cc1ccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(-c3cccc(C(F)(F)F)c3)c2=O)s1 ZINC000150623050 571523539 /nfs/dbraw/zinc/52/35/39/571523539.db2.gz VWVMUAVKOPEEAR-KKPLQKKJSA-N 0 0 658.749 4.604 40 30 KJEBRN Cc1ccccc1/C=c1/s/c(=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000150623067 571523532 /nfs/dbraw/zinc/52/35/32/571523532.db2.gz NFQYVGLLFUWWOC-ZOXVNHDNSA-N 0 0 652.720 4.543 40 30 KJEBRN Cc1cccc(/C=c2\s/c(=C(\C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(-c3ccccc3C(F)(F)F)c2=O)c1 ZINC000150626228 571523735 /nfs/dbraw/zinc/52/37/35/571523735.db2.gz FJQDGWPCADPOQK-HTSRUKIZSA-N 0 0 652.720 4.543 40 30 KJEBRN CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000150663626 571528158 /nfs/dbraw/zinc/52/81/58/571528158.db2.gz JKWZSXRZVBWPNR-KNXMQKIASA-N 0 0 710.779 4.605 40 30 KJEBRN CO[C@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000150663627 571528147 /nfs/dbraw/zinc/52/81/47/571528147.db2.gz JKWZSXRZVBWPNR-CCHLKJMRSA-N 0 0 710.779 4.605 40 30 KJEBRN CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000150663629 571528149 /nfs/dbraw/zinc/52/81/49/571528149.db2.gz JKWZSXRZVBWPNR-ULUMMAHWSA-N 0 0 710.779 4.605 40 30 KJEBRN CO[C@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000150663630 571528138 /nfs/dbraw/zinc/52/81/38/571528138.db2.gz JKWZSXRZVBWPNR-DVIRIBEDSA-N 0 0 710.779 4.605 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000150672541 571528914 /nfs/dbraw/zinc/52/89/14/571528914.db2.gz NPJAVYXEVSMVJR-LMKKRCETSA-N 0 0 629.532 4.719 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000150672542 571528880 /nfs/dbraw/zinc/52/88/80/571528880.db2.gz NPJAVYXEVSMVJR-YMWOEAMWSA-N 0 0 629.532 4.719 40 30 KJEBRN CC(=O)Oc1ccc(C=CC(=O)C[C@@H]2O[C@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000150702864 562848995 /nfs/dbraw/zinc/84/89/95/562848995.db2.gz UGSIBMHKJDXJCF-DKRZNOSGSA-N 0 0 816.765 4.740 40 30 KJEBRN O=C(Nc1ccccc1)C(CCS(=O)(=O)OCC(F)(F)C(F)F)(CCS(=O)(=O)OCC(F)(F)C(F)F)C(=O)c1ccccc1 ZINC000157172212 571529535 /nfs/dbraw/zinc/52/95/35/571529535.db2.gz RBLDUUIQVQQZQD-UHFFFAOYSA-N 0 0 683.592 4.768 40 30 KJEBRN CCOC(=O)c1c(NC(=O)/C(C#N)=c2\s/c(=C\c3ccccc3OCC)c(=O)n2-c2ccccc2OCC)sc2c1CCCC2 ZINC000159341522 571530068 /nfs/dbraw/zinc/53/00/68/571530068.db2.gz DRTHMYUTALJFBE-UAQISARPSA-N 0 0 643.787 4.955 40 30 KJEBRN COc1ccc(CCn2c(=O)/c(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)s/c2=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000159343073 571530144 /nfs/dbraw/zinc/53/01/44/571530144.db2.gz DBNFTHQZBSVPQB-SQBJQIIBSA-N 0 0 637.762 4.818 40 30 KJEBRN CCOc1ccc(/C=c2\s/c(=C(\C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n(Cc3ccc(OC)cc3)c2=O)cc1 ZINC000159343512 571530154 /nfs/dbraw/zinc/53/01/54/571530154.db2.gz RAPJIFBPBWIQHE-KZHKHTKQSA-N 0 0 670.835 4.802 40 30 KJEBRN COc1ccc(Cn2c(=O)/c(=C/c3c(F)cccc3F)s/c2=C(\C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000159343793 571530202 /nfs/dbraw/zinc/53/02/02/571530202.db2.gz WJRCPHMFEFCVQB-RZDGHZTJSA-N 0 0 662.762 4.682 40 30 KJEBRN Cc1ccc(C)c(/C=c2/s/c(=C(/C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(-c3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000159345755 571530070 /nfs/dbraw/zinc/53/00/70/571530070.db2.gz ZHWUFTWDHZQUHM-DCSHUMBFSA-N 0 0 666.747 4.851 40 30 KJEBRN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C(=O)N(CC)CC)C1 ZINC000163464213 571535849 /nfs/dbraw/zinc/53/58/49/571535849.db2.gz YVDYIHAHOFDTOE-GDPYIURFSA-N 0 0 643.767 4.987 40 30 KJEBRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C(=O)N(CC)CC)C1 ZINC000163464315 571535937 /nfs/dbraw/zinc/53/59/37/571535937.db2.gz YVDYIHAHOFDTOE-QCBZFDABSA-N 0 0 643.767 4.987 40 30 KJEBRN CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2cc([N+](=O)[O-])ccc2N(C)C2CCCCC2)C1 ZINC000163464895 571535898 /nfs/dbraw/zinc/53/58/98/571535898.db2.gz VHJLTFFCUXDAQX-IKQNMSGQSA-N 0 0 643.767 4.987 40 30 KJEBRN CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2cc([N+](=O)[O-])ccc2N(C)C2CCCCC2)C1 ZINC000163465014 571535864 /nfs/dbraw/zinc/53/58/64/571535864.db2.gz VHJLTFFCUXDAQX-FKBXNUFCSA-N 0 0 643.767 4.987 40 30 KJEBRN O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000163527218 571536173 /nfs/dbraw/zinc/53/61/73/571536173.db2.gz NQGGNGLSZNKPAK-UZWMFBFFSA-N 0 0 665.729 4.565 40 30 KJEBRN C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000163527377 571536454 /nfs/dbraw/zinc/53/64/54/571536454.db2.gz CJOQVCNCIZFZAE-RILDQMMFSA-N 0 0 679.756 4.809 40 30 KJEBRN C[C@@H]1C[C@@H](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000163527492 571536420 /nfs/dbraw/zinc/53/64/20/571536420.db2.gz CJOQVCNCIZFZAE-QIWAXZFOSA-N 0 0 679.756 4.809 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000163590907 571537278 /nfs/dbraw/zinc/53/72/78/571537278.db2.gz VTMDONQWMYFBPB-XDYZZPCYSA-N 0 0 639.730 4.665 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000163591028 571537287 /nfs/dbraw/zinc/53/72/87/571537287.db2.gz VTMDONQWMYFBPB-DBHVVYFFSA-N 0 0 639.730 4.665 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C(F)(F)F)N=2 ZINC000163593379 571537254 /nfs/dbraw/zinc/53/72/54/571537254.db2.gz KZXUQGGZFUUXRD-CNSVBDKNSA-N 0 0 625.850 4.769 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C(F)(F)F)N=2 ZINC000163593492 571537178 /nfs/dbraw/zinc/53/71/78/571537178.db2.gz KZXUQGGZFUUXRD-FNGUVFISSA-N 0 0 625.850 4.769 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)ccc3OCC#N)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163597391 571537452 /nfs/dbraw/zinc/53/74/52/571537452.db2.gz RMAAMRSRKMRDDH-JKALPCAWSA-N 0 0 626.838 4.659 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)ccc3OCC#N)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163597513 571537442 /nfs/dbraw/zinc/53/74/42/571537442.db2.gz RMAAMRSRKMRDDH-SQWSFHKJSA-N 0 0 626.838 4.659 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163627362 571538166 /nfs/dbraw/zinc/53/81/66/571538166.db2.gz LPTPZLNYYADTQQ-DPWKNNTCSA-N 0 0 671.835 4.567 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000163627428 571538146 /nfs/dbraw/zinc/53/81/46/571538146.db2.gz VHDHJEMZPXVQEP-RWTNITNYSA-N 0 0 678.399 4.905 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163627464 571538161 /nfs/dbraw/zinc/53/81/61/571538161.db2.gz LPTPZLNYYADTQQ-XGHXRCDJSA-N 0 0 671.835 4.567 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000163627550 571538160 /nfs/dbraw/zinc/53/81/60/571538160.db2.gz VHDHJEMZPXVQEP-MFUBYVTQSA-N 0 0 678.399 4.905 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000163637964 571538723 /nfs/dbraw/zinc/53/87/23/571538723.db2.gz FNICJSZXBIBQPT-FZEVDNDPSA-N 0 0 751.599 4.879 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000163638074 571538707 /nfs/dbraw/zinc/53/87/07/571538707.db2.gz FNICJSZXBIBQPT-BXMULHQWSA-N 0 0 751.599 4.879 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163641750 571538766 /nfs/dbraw/zinc/53/87/66/571538766.db2.gz OXZIANJXRVLZEI-FNGUVFISSA-N 0 0 626.440 4.949 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163641861 571538864 /nfs/dbraw/zinc/53/88/64/571538864.db2.gz OXZIANJXRVLZEI-CNSVBDKNSA-N 0 0 626.440 4.949 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000163646226 571538937 /nfs/dbraw/zinc/53/89/37/571538937.db2.gz NMCNWPIJDARODH-RWTNITNYSA-N 0 0 678.399 4.905 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000163646346 571539050 /nfs/dbraw/zinc/53/90/50/571539050.db2.gz NMCNWPIJDARODH-MFUBYVTQSA-N 0 0 678.399 4.905 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163646941 571539043 /nfs/dbraw/zinc/53/90/43/571539043.db2.gz QSANCMUGFKEXAG-FNGUVFISSA-N 0 0 717.891 4.900 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163647070 571539042 /nfs/dbraw/zinc/53/90/42/571539042.db2.gz QSANCMUGFKEXAG-CNSVBDKNSA-N 0 0 717.891 4.900 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc(Br)cc1OC ZINC000163654759 571539345 /nfs/dbraw/zinc/53/93/45/571539345.db2.gz CLWZCPHFUHUMGJ-JAORQVBISA-N 0 0 655.876 4.777 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc(Br)cc1OC ZINC000163654866 571539347 /nfs/dbraw/zinc/53/93/47/571539347.db2.gz CLWZCPHFUHUMGJ-JCAJYURWSA-N 0 0 655.876 4.777 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163658834 571539506 /nfs/dbraw/zinc/53/95/06/571539506.db2.gz APDUZQIZLRXQNS-ZMUHTPIZSA-N 0 0 656.864 4.668 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163658949 571539493 /nfs/dbraw/zinc/53/94/93/571539493.db2.gz APDUZQIZLRXQNS-OLROSQPISA-N 0 0 656.864 4.668 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc(I)cc1OC ZINC000163659995 571539480 /nfs/dbraw/zinc/53/94/80/571539480.db2.gz SSQPRKGLKCYPOI-JAORQVBISA-N 0 0 702.876 4.619 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc(I)cc1OC ZINC000163660077 571539515 /nfs/dbraw/zinc/53/95/15/571539515.db2.gz SSQPRKGLKCYPOI-JCAJYURWSA-N 0 0 702.876 4.619 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163664228 571539651 /nfs/dbraw/zinc/53/96/51/571539651.db2.gz LYVHYNZHAWIMTP-ZMUHTPIZSA-N 0 0 703.864 4.510 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163664336 571539628 /nfs/dbraw/zinc/53/96/28/571539628.db2.gz LYVHYNZHAWIMTP-OLROSQPISA-N 0 0 703.864 4.510 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000163675127 571540033 /nfs/dbraw/zinc/54/00/33/571540033.db2.gz HQEQJSIKEWSTRV-PLMBTIQCSA-N 0 0 660.148 4.928 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000163675238 571540026 /nfs/dbraw/zinc/54/00/26/571540026.db2.gz HQEQJSIKEWSTRV-KAEGSSFASA-N 0 0 660.148 4.928 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000163678153 571540031 /nfs/dbraw/zinc/54/00/31/571540031.db2.gz KKFMVTJDADSAQH-QHCWNQLDSA-N 0 0 669.756 4.673 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000163678280 571540039 /nfs/dbraw/zinc/54/00/39/571540039.db2.gz KKFMVTJDADSAQH-SODCYNRPSA-N 0 0 669.756 4.673 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163720937 571541655 /nfs/dbraw/zinc/54/16/55/571541655.db2.gz NTFGWULHGKCUTI-JKALPCAWSA-N 0 0 656.864 4.668 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163721066 571541673 /nfs/dbraw/zinc/54/16/73/571541673.db2.gz NTFGWULHGKCUTI-SQWSFHKJSA-N 0 0 656.864 4.668 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000163921512 571543434 /nfs/dbraw/zinc/54/34/34/571543434.db2.gz NZPRHDYEEUGVBT-LJJBLSSYSA-N 0 0 726.374 4.881 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000163921611 571543460 /nfs/dbraw/zinc/54/34/60/571543460.db2.gz NZPRHDYEEUGVBT-CVGPFBNFSA-N 0 0 726.374 4.881 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000163973036 571543844 /nfs/dbraw/zinc/54/38/44/571543844.db2.gz CKMBFSHCSZVQBQ-DBHVVYFFSA-N 0 0 639.730 4.665 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000163973149 571543772 /nfs/dbraw/zinc/54/37/72/571543772.db2.gz CKMBFSHCSZVQBQ-XDYZZPCYSA-N 0 0 639.730 4.665 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000163981236 571543876 /nfs/dbraw/zinc/54/38/76/571543876.db2.gz CWMOHQSEJTWIIZ-XOYGFPHKSA-N 0 0 742.373 4.581 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000163981323 571543744 /nfs/dbraw/zinc/54/37/44/571543744.db2.gz CWMOHQSEJTWIIZ-YJADQXIJSA-N 0 0 742.373 4.581 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000163984454 571543819 /nfs/dbraw/zinc/54/38/19/571543819.db2.gz KOIAZFQVHMALDG-MIUGUJGPSA-N 0 0 721.573 4.871 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000163984548 571543879 /nfs/dbraw/zinc/54/38/79/571543879.db2.gz KOIAZFQVHMALDG-KEPJHFNWSA-N 0 0 721.573 4.871 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000164006728 571544145 /nfs/dbraw/zinc/54/41/45/571544145.db2.gz WZUOMQMYSQEWIM-DBHVVYFFSA-N 0 0 639.730 4.665 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000164006830 571544142 /nfs/dbraw/zinc/54/41/42/571544142.db2.gz WZUOMQMYSQEWIM-XDYZZPCYSA-N 0 0 639.730 4.665 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000164009072 571544138 /nfs/dbraw/zinc/54/41/38/571544138.db2.gz GHXHOPAWSUIKGH-DBHVVYFFSA-N 0 0 639.730 4.665 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000164009192 571544031 /nfs/dbraw/zinc/54/40/31/571544031.db2.gz GHXHOPAWSUIKGH-XDYZZPCYSA-N 0 0 639.730 4.665 40 30 KJEBRN C=CCOc1c(I)cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1I ZINC000164017277 571544046 /nfs/dbraw/zinc/54/40/46/571544046.db2.gz CXCMDVWNZWAPHF-YSURURNPSA-N 0 0 617.250 4.993 40 30 KJEBRN C/N=C1/S/C(=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)C(=O)N1C ZINC000164334702 571545841 /nfs/dbraw/zinc/54/58/41/571545841.db2.gz LJQDPESUIIJVBW-FLIKEUPFSA-N 0 0 615.234 4.878 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)sc2=N1 ZINC000164859605 571552232 /nfs/dbraw/zinc/55/22/32/571552232.db2.gz BKFPHSOSSHDSPX-QHCWNQLDSA-N 0 0 637.714 4.766 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)sc2=N1 ZINC000164859723 571552246 /nfs/dbraw/zinc/55/22/46/571552246.db2.gz BKFPHSOSSHDSPX-SODCYNRPSA-N 0 0 637.714 4.766 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(OC)c1)C1=C(N=2)c2ccccc2CC1 ZINC000167528241 571552816 /nfs/dbraw/zinc/55/28/16/571552816.db2.gz WFMCRQDPQYMDEL-WWWKDLBZSA-N 0 0 536.653 4.901 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C1=C(N=2)c2ccccc2CC1 ZINC000167528379 571552766 /nfs/dbraw/zinc/55/27/66/571552766.db2.gz WFMCRQDPQYMDEL-DDBFQISPSA-N 0 0 536.653 4.901 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000167534486 571552734 /nfs/dbraw/zinc/55/27/34/571552734.db2.gz GPZBNEDSKHSYAV-RGFRMHDHSA-N 0 0 521.598 4.792 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000167534707 571552812 /nfs/dbraw/zinc/55/28/12/571552812.db2.gz GPZBNEDSKHSYAV-XQNWCSQWSA-N 0 0 521.598 4.792 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)cc(Br)c1OC ZINC000169704024 571559090 /nfs/dbraw/zinc/55/90/90/571559090.db2.gz BTFJKAMLACKNDK-OTPBECDQSA-N 0 0 596.540 4.766 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1OC ZINC000170412012 1066220608 /nfs/dbraw/zinc/22/06/08/1066220608.db2.gz LWZSRJVCRABERQ-JOCHJYFZSA-N 0 0 518.404 4.860 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1OC ZINC000170412013 1066220757 /nfs/dbraw/zinc/22/07/57/1066220757.db2.gz LWZSRJVCRABERQ-QFIPXVFZSA-N 0 0 518.404 4.860 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000197694950 571564386 /nfs/dbraw/zinc/56/43/86/571564386.db2.gz LMKIJJRQNCUYNW-UNDLXJOSSA-N 0 0 536.653 4.901 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000197694967 571564343 /nfs/dbraw/zinc/56/43/43/571564343.db2.gz LMKIJJRQNCUYNW-JLKMOJGBSA-N 0 0 536.653 4.901 40 30 KJEBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C#N)cc3)c(OC)c2)C1=O ZINC000205690336 571570014 /nfs/dbraw/zinc/57/00/14/571570014.db2.gz RCNWQFKGUCMAPA-VXLYETTFSA-N 0 0 531.384 4.508 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)cc1OC ZINC000205697375 571570273 /nfs/dbraw/zinc/57/02/73/571570273.db2.gz ZNCBVAYVALKRRL-VCHYOVAHSA-N 0 0 503.330 4.614 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000205704895 571570270 /nfs/dbraw/zinc/57/02/70/571570270.db2.gz UDCSAUAURCNVMG-KEBDBYFISA-N 0 0 500.960 4.787 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000205706259 571570416 /nfs/dbraw/zinc/57/04/16/571570416.db2.gz BGRVGVSACZIZMQ-KEBDBYFISA-N 0 0 592.411 4.738 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000205778200 571571119 /nfs/dbraw/zinc/57/11/19/571571119.db2.gz IGHUIFLEGHVPEP-KEBDBYFISA-N 0 0 545.411 4.896 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000205790555 571571361 /nfs/dbraw/zinc/57/13/61/571571361.db2.gz STTZLZNLUWSPDG-LPYMAVHISA-N 0 0 617.465 4.799 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000205802005 571571413 /nfs/dbraw/zinc/57/14/13/571571413.db2.gz CYDWKIXHRASKRA-LPYMAVHISA-N 0 0 570.465 4.957 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCc1ccccc1C#N ZINC000205803835 571571528 /nfs/dbraw/zinc/57/15/28/571571528.db2.gz LYJLAJAIEWNBSG-BUVRLJJBSA-N 0 0 505.596 4.585 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Br ZINC000205815050 571571674 /nfs/dbraw/zinc/57/16/74/571571674.db2.gz QOSXMZBPVHRDGH-LFIBNONCSA-N 0 0 544.265 4.825 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000205912467 571572170 /nfs/dbraw/zinc/57/21/70/571572170.db2.gz JFKDQQGNABWHJR-CIAFOILYSA-N 0 0 556.438 4.567 40 30 KJEBRN COc1cc(C=NN2C(=O)CSC2=S)cc(I)c1OCc1ccc(Cl)cc1 ZINC000207187202 571573284 /nfs/dbraw/zinc/57/32/84/571573284.db2.gz NCOCQWDHXDQOJQ-WNFQYIGGSA-N 0 0 532.812 4.726 40 30 KJEBRN Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(F)c1 ZINC000207704741 1067214940 /nfs/dbraw/zinc/21/49/40/1067214940.db2.gz SRJNRAQUSAVENA-GSHUGGBRSA-N 0 0 574.497 4.769 40 30 investigational KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000208354573 571573772 /nfs/dbraw/zinc/57/37/72/571573772.db2.gz VHKYPXIIDLPYFN-GRXWAMFVSA-N 0 0 622.541 4.719 40 30 KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000208354613 571573856 /nfs/dbraw/zinc/57/38/56/571573856.db2.gz VHKYPXIIDLPYFN-QHZSLAKNSA-N 0 0 622.541 4.719 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000208486686 571574441 /nfs/dbraw/zinc/57/44/41/571574441.db2.gz HOSUGHSTBLSNSY-YMWOEAMWSA-N 0 0 676.532 4.561 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000208486724 571574437 /nfs/dbraw/zinc/57/44/37/571574437.db2.gz HOSUGHSTBLSNSY-LMKKRCETSA-N 0 0 676.532 4.561 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)ccc1OCC ZINC000208511267 571574695 /nfs/dbraw/zinc/57/46/95/571574695.db2.gz KMFXCRWHLOLMGF-IAOUMNOZSA-N 0 0 546.689 4.713 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)ccc1OCC ZINC000208511305 571574686 /nfs/dbraw/zinc/57/46/86/571574686.db2.gz KMFXCRWHLOLMGF-RYOBIWAXSA-N 0 0 546.689 4.713 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000208543627 571574668 /nfs/dbraw/zinc/57/46/68/571574668.db2.gz WDOCEUGVBZFBRJ-LYRGBEMXSA-N 0 0 772.399 4.590 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000208543667 571574678 /nfs/dbraw/zinc/57/46/78/571574678.db2.gz WDOCEUGVBZFBRJ-JGTYQCAFSA-N 0 0 772.399 4.590 40 30 KJEBRN N#Cc1c(N)nc(S[C@H]2CC(=O)N(c3ccc(C(=O)C=Cc4ccccc4F)cc3)C2=O)c(C#N)c1C1CC1 ZINC000211467295 571576592 /nfs/dbraw/zinc/57/65/92/571576592.db2.gz CYVJOHYRACCZHY-LUFJGRFYSA-N 0 0 537.576 4.744 40 30 KJEBRN N#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccc(C(=O)C=Cc4ccccc4F)cc3)C2=O)c(C#N)c1C1CC1 ZINC000211467368 571576566 /nfs/dbraw/zinc/57/65/66/571576566.db2.gz CYVJOHYRACCZHY-XJCKULRNSA-N 0 0 537.576 4.744 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000214245564 571578267 /nfs/dbraw/zinc/57/82/67/571578267.db2.gz QZZRRWZJCZTPTD-WOJGMQOQSA-N 0 0 523.323 4.687 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000214602741 571579695 /nfs/dbraw/zinc/57/96/95/571579695.db2.gz JMKMIJCSUUQWGX-XDHOZWIPSA-N 0 0 519.360 4.857 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000214637702 571579877 /nfs/dbraw/zinc/57/98/77/571579877.db2.gz ZEWPSTXUDBMOGM-XDHOZWIPSA-N 0 0 519.360 4.857 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000214672724 571580214 /nfs/dbraw/zinc/58/02/14/571580214.db2.gz YNRZLZAUBFRTBX-HZHRSRAPSA-N 0 0 587.492 4.660 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000214673384 571580400 /nfs/dbraw/zinc/58/04/00/571580400.db2.gz ZGNNSYUMUGUEAS-HZHRSRAPSA-N 0 0 543.041 4.551 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000214687329 571580442 /nfs/dbraw/zinc/58/04/42/571580442.db2.gz FEKBKBDJJFQGDV-LFVJCYFKSA-N 0 0 557.068 4.941 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)cc1OC ZINC000214987173 571582431 /nfs/dbraw/zinc/58/24/31/571582431.db2.gz SKKCAWZNUODIOM-VCHYOVAHSA-N 0 0 503.330 4.614 40 30 KJEBRN COc1ccc(CN/N=C/c2cc(I)c(OC(C)C)c(I)c2)cc1OC ZINC000216053166 571592222 /nfs/dbraw/zinc/59/22/22/571592222.db2.gz WDFLBEZHUMHWDC-FOKLQQMPSA-N 0 0 580.204 4.824 40 30 KJEBRN COc1ccc(CN/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC ZINC000216053902 571592204 /nfs/dbraw/zinc/59/22/04/571592204.db2.gz MPBQQVPOQPZGSY-MZJWZYIUSA-N 0 0 577.375 4.928 40 30 KJEBRN CCCOc1c(I)cc(/C=N/NCc2ccc(OC)c(OC)c2)cc1I ZINC000216058425 571592373 /nfs/dbraw/zinc/59/23/73/571592373.db2.gz HDMZQFHXULKMAB-FSJBWODESA-N 0 0 580.204 4.826 40 30 KJEBRN CC(=O)NC[C@@H](C)C[C@@H]1C(=O)C(C)=C2[C@@]1(O)C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000217335494 571600747 /nfs/dbraw/zinc/60/07/47/571600747.db2.gz NDJRZSBYTALTDY-ZMDOZSBLSA-N 0 0 511.703 4.900 40 30 KJEBRN CC(=O)NC[C@@H](C)C[C@H]1C(=O)C(C)=C2[C@@]1(O)C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000217335584 571600770 /nfs/dbraw/zinc/60/07/70/571600770.db2.gz NDJRZSBYTALTDY-CUUHBMFXSA-N 0 0 511.703 4.900 40 30 KJEBRN COc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3cc5ccc(OC)cc5n(C)c3=O)CC(=O)O4)C2=O)cc1 ZINC000217660409 571602288 /nfs/dbraw/zinc/60/22/88/571602288.db2.gz ABGAPHDUJSTEDG-PXYXSCDOSA-N 0 0 509.514 4.613 40 30 KJEBRN COc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3cc5ccc(OC)cc5n(C)c3=O)CC(=O)O4)C2=O)cc1 ZINC000217660483 571602213 /nfs/dbraw/zinc/60/22/13/571602213.db2.gz ABGAPHDUJSTEDG-AXDLBROPSA-N 0 0 509.514 4.613 40 30 KJEBRN COc1cc(OC)c(OC)cc1/C=C1/Oc2c(ccc3c2[C@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)O3)C1=O ZINC000218080196 1066507287 /nfs/dbraw/zinc/50/72/87/1066507287.db2.gz OQBYZXCGMICQKD-KCDOPAPYSA-N 0 0 548.544 4.795 40 30 KJEBRN COc1cc(OC)c(OC)cc1/C=C1/Oc2c(ccc3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)O3)C1=O ZINC000218080286 1066507276 /nfs/dbraw/zinc/50/72/76/1066507276.db2.gz OQBYZXCGMICQKD-BYWZACNXSA-N 0 0 548.544 4.795 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@]1(C=O)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218243861 571603807 /nfs/dbraw/zinc/60/38/07/571603807.db2.gz IEXBJCLBUPDQIA-LQWHRVPQSA-N 0 0 514.825 4.505 40 30 KJEBRN CC(C)(C)OC(=O)N[C@]1(C=O)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218243926 571603840 /nfs/dbraw/zinc/60/38/40/571603840.db2.gz IEXBJCLBUPDQIA-LVCYWYKZSA-N 0 0 514.825 4.505 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@]1(C=O)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218244011 571603770 /nfs/dbraw/zinc/60/37/70/571603770.db2.gz IEXBJCLBUPDQIA-WFXMLNOXSA-N 0 0 514.825 4.505 40 30 KJEBRN CC(C)(C)OC(=O)N[C@]1(C=O)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218244068 571603810 /nfs/dbraw/zinc/60/38/10/571603810.db2.gz IEXBJCLBUPDQIA-BBTUJRGHSA-N 0 0 514.825 4.505 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)s1 ZINC000222660200 571380987 /nfs/dbraw/zinc/38/09/87/571380987.db2.gz MFIPFRIYJIZOMY-UHFFFAOYSA-N 0 0 515.469 4.957 40 30 KJEBRN N#CC1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)cc2)CC1 ZINC000222726935 571389997 /nfs/dbraw/zinc/38/99/97/571389997.db2.gz QWXPUURFPKJEFQ-UHFFFAOYSA-N 0 0 526.412 4.823 40 30 KJEBRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C4(C#N)CC4)cc3)cc2)cc1Cl ZINC000222733741 571391156 /nfs/dbraw/zinc/39/11/56/571391156.db2.gz XKFYLEHQZBKQQW-UHFFFAOYSA-N 0 0 511.987 4.722 40 30 KJEBRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1ccc(C2(C#N)CC2)cc1 ZINC000222787826 571397630 /nfs/dbraw/zinc/39/76/30/571397630.db2.gz NIZKUEBLCCAPLB-UHFFFAOYSA-N 0 0 501.608 4.709 40 30 KJEBRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C4(C#N)CC4)cc3)c(C)c2)cc1 ZINC000222808647 571400531 /nfs/dbraw/zinc/40/05/31/571400531.db2.gz ANDXAYLDSWYDKK-UHFFFAOYSA-N 0 0 505.596 4.767 40 30 KJEBRN N#CC1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3Cl)cc2)CC1 ZINC000222822469 571402240 /nfs/dbraw/zinc/40/22/40/571402240.db2.gz AMAPIBQSVZJQSR-UHFFFAOYSA-N 0 0 507.999 4.664 40 30 KJEBRN C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000223013544 571421754 /nfs/dbraw/zinc/42/17/54/571421754.db2.gz DWRVJVWXXHTMDH-WJOKGBTCSA-N 0 0 601.700 4.948 40 30 KJEBRN C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000223013603 193943051 /nfs/dbraw/zinc/94/30/51/193943051.db2.gz DWRVJVWXXHTMDH-HKBQPEDESA-N 0 0 601.700 4.948 40 30 KJEBRN C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000223091421 571430111 /nfs/dbraw/zinc/43/01/11/571430111.db2.gz KIDHUKKGSAUBNR-MUUNZHRXSA-N 0 0 568.139 4.513 40 30 KJEBRN C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000223091478 571430091 /nfs/dbraw/zinc/43/00/91/571430091.db2.gz KIDHUKKGSAUBNR-NDEPHWFRSA-N 0 0 568.139 4.513 40 30 KJEBRN C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223095976 571430583 /nfs/dbraw/zinc/43/05/83/571430583.db2.gz QCEYYPBGICCHIZ-SSEXGKCCSA-N 0 0 594.177 4.999 40 30 KJEBRN C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223096029 571430536 /nfs/dbraw/zinc/43/05/36/571430536.db2.gz QCEYYPBGICCHIZ-PMERELPUSA-N 0 0 594.177 4.999 40 30 KJEBRN C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223104632 571431701 /nfs/dbraw/zinc/43/17/01/571431701.db2.gz ZCFZPFRJLWBIFF-RUZDIDTESA-N 0 0 507.030 4.842 40 30 KJEBRN C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223104691 571431788 /nfs/dbraw/zinc/43/17/88/571431788.db2.gz ZCFZPFRJLWBIFF-VWLOTQADSA-N 0 0 507.030 4.842 40 30 KJEBRN C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000223109278 571432215 /nfs/dbraw/zinc/43/22/15/571432215.db2.gz GFNOVNBQEYOUFA-GDLZYMKVSA-N 0 0 580.150 4.656 40 30 KJEBRN C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000223109338 571432276 /nfs/dbraw/zinc/43/22/76/571432276.db2.gz GFNOVNBQEYOUFA-LJAQVGFWSA-N 0 0 580.150 4.656 40 30 KJEBRN C=CCSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)s1 ZINC000223116919 571433235 /nfs/dbraw/zinc/43/32/35/571433235.db2.gz OJAQRYRZORFRID-FQEVSTJZSA-N 0 0 530.697 4.709 40 30 KJEBRN C=CCSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C(C)(C)C)ccc3O2)s1 ZINC000223116974 571433224 /nfs/dbraw/zinc/43/32/24/571433224.db2.gz OJAQRYRZORFRID-HXUWFJFHSA-N 0 0 530.697 4.709 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000223128988 571434401 /nfs/dbraw/zinc/43/44/01/571434401.db2.gz FHMPRJMCKHPPGR-UHFFFAOYSA-N 0 0 528.603 4.977 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000223188789 571442792 /nfs/dbraw/zinc/44/27/92/571442792.db2.gz DDPHPWPHAUGZAW-UHFFFAOYSA-N 0 0 539.502 4.721 40 30 KJEBRN C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000223228694 571447769 /nfs/dbraw/zinc/44/77/69/571447769.db2.gz KROBXNYOOOACGN-JGCGQSQUSA-N 0 0 631.726 4.956 40 30 KJEBRN C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000223228742 571447725 /nfs/dbraw/zinc/44/77/25/571447725.db2.gz KROBXNYOOOACGN-YTTGMZPUSA-N 0 0 631.726 4.956 40 30 KJEBRN C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000223381097 571468521 /nfs/dbraw/zinc/46/85/21/571468521.db2.gz HHURLIJSQHCVJJ-MUUNZHRXSA-N 0 0 554.112 4.643 40 30 KJEBRN C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000223381151 571468547 /nfs/dbraw/zinc/46/85/47/571468547.db2.gz HHURLIJSQHCVJJ-NDEPHWFRSA-N 0 0 554.112 4.643 40 30 KJEBRN C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000223396151 571470954 /nfs/dbraw/zinc/47/09/54/571470954.db2.gz BYMQPUYGEFNJNM-GDLZYMKVSA-N 0 0 566.123 4.786 40 30 KJEBRN C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000223396209 571471103 /nfs/dbraw/zinc/47/11/03/571471103.db2.gz BYMQPUYGEFNJNM-LJAQVGFWSA-N 0 0 566.123 4.786 40 30 KJEBRN C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223453145 571478712 /nfs/dbraw/zinc/47/87/12/571478712.db2.gz XULRWCGCEFXVOL-SSEXGKCCSA-N 0 0 563.695 4.615 40 30 KJEBRN C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223453197 571478758 /nfs/dbraw/zinc/47/87/58/571478758.db2.gz XULRWCGCEFXVOL-PMERELPUSA-N 0 0 563.695 4.615 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000223859870 571563318 /nfs/dbraw/zinc/56/33/18/571563318.db2.gz IADICZYJOCXSQX-UHFFFAOYSA-N 0 0 525.077 4.702 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)s1 ZINC000223870596 571565161 /nfs/dbraw/zinc/56/51/61/571565161.db2.gz IIETWBFDAGWMHY-UHFFFAOYSA-N 0 0 515.469 4.957 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)s1 ZINC000224025144 571597418 /nfs/dbraw/zinc/59/74/18/571597418.db2.gz SGNNGTQOLBIUAO-UHFFFAOYSA-N 0 0 518.730 4.689 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)s1 ZINC000224217237 571499020 /nfs/dbraw/zinc/49/90/20/571499020.db2.gz MLXGCPYWZUKSQX-UHFFFAOYSA-N 0 0 515.469 4.957 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000224283586 571512988 /nfs/dbraw/zinc/51/29/88/571512988.db2.gz BAUYOPXFEVXXJB-UHFFFAOYSA-N 0 0 509.078 4.920 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)s1 ZINC000224492220 571559238 /nfs/dbraw/zinc/55/92/38/571559238.db2.gz OEVRMASAFWPQJW-UHFFFAOYSA-N 0 0 515.469 4.957 40 30 KJEBRN C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCOc2ccc(CCC)cc2)S1(=O)=O ZINC000224573116 571577812 /nfs/dbraw/zinc/57/78/12/571577812.db2.gz VIZBLLJKRBJYEA-UHFFFAOYSA-N 0 0 502.636 4.930 40 30 KJEBRN C=CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCCOc2cccc(C)c2)S1(=O)=O ZINC000224578222 571579193 /nfs/dbraw/zinc/57/91/93/571579193.db2.gz HAEXEBSYJXLKAX-UHFFFAOYSA-N 0 0 509.027 4.939 40 30 KJEBRN C=CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCCOc2ccccc2C)S1(=O)=O ZINC000224578370 571579149 /nfs/dbraw/zinc/57/91/49/571579149.db2.gz OOTXQMWEWQPGKV-UHFFFAOYSA-N 0 0 509.027 4.939 40 30 KJEBRN C=CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCCOc2ccccc2OC)S1(=O)=O ZINC000224578525 571579108 /nfs/dbraw/zinc/57/91/08/571579108.db2.gz VREMGNBYDMWYMT-UHFFFAOYSA-N 0 0 525.026 4.639 40 30 KJEBRN C=CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCCOCc2ccccc2)S1(=O)=O ZINC000224578596 571579106 /nfs/dbraw/zinc/57/91/06/571579106.db2.gz QPFJCKLTEQXMQA-UHFFFAOYSA-N 0 0 509.027 4.768 40 30 KJEBRN C=CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCCOc2cccc(OC)c2)S1(=O)=O ZINC000224578753 571579116 /nfs/dbraw/zinc/57/91/16/571579116.db2.gz AEBVYEISHZTBCH-UHFFFAOYSA-N 0 0 525.026 4.639 40 30 KJEBRN C=CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCCOc2ccc(OC)cc2)S1(=O)=O ZINC000224578837 571579293 /nfs/dbraw/zinc/57/92/93/571579293.db2.gz LZLIMZNCSSNMCC-UHFFFAOYSA-N 0 0 525.026 4.639 40 30 KJEBRN C=CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCc2ccc(OC)c(OC)c2)S1(=O)=O ZINC000224578913 571579263 /nfs/dbraw/zinc/57/92/63/571579263.db2.gz LYHYIHMAXDQLJI-UHFFFAOYSA-N 0 0 525.026 4.769 40 30 KJEBRN C=CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NCCOc2ccc(F)cc2)S1(=O)=O ZINC000224579441 571579424 /nfs/dbraw/zinc/57/94/24/571579424.db2.gz HRTHZZIVHUZMAM-UHFFFAOYSA-N 0 0 512.990 4.770 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000224655915 571596724 /nfs/dbraw/zinc/59/67/24/571596724.db2.gz QJLHTHGCEXPYFE-UHFFFAOYSA-N 0 0 525.077 4.702 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(SC)cc2)s1 ZINC000224766688 571615144 /nfs/dbraw/zinc/61/51/44/571615144.db2.gz VYDKEXNCCLQUEG-UHFFFAOYSA-N 0 0 536.726 4.771 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000224801747 571618494 /nfs/dbraw/zinc/61/84/94/571618494.db2.gz HQGXPOSYBWGXPG-UHFFFAOYSA-N 0 0 509.078 4.920 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000224813019 571619540 /nfs/dbraw/zinc/61/95/40/571619540.db2.gz UYWCKLUFRMSJJU-UHFFFAOYSA-N 0 0 515.469 4.957 40 30 KJEBRN CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(N=[N+]=[N-])cc2Oc2cc(N=[N+]=[N-])ccc21 ZINC000224885483 571626634 /nfs/dbraw/zinc/62/66/34/571626634.db2.gz QIAZHSBWGCYJGQ-UHFFFAOYSA-N 0 0 685.562 4.708 40 30 in-vitro KJEBRN C=CCSc1nnc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000224977087 571635564 /nfs/dbraw/zinc/63/55/64/571635564.db2.gz AABBSKYFVJGMHW-UHFFFAOYSA-N 0 0 509.078 4.920 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000225095347 571646754 /nfs/dbraw/zinc/64/67/54/571646754.db2.gz AEZLKRNEPXBZMD-UHFFFAOYSA-N 0 0 509.078 4.920 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000225147692 571652189 /nfs/dbraw/zinc/65/21/89/571652189.db2.gz YLBUXZCUILGMTM-UHFFFAOYSA-N 0 0 525.077 4.621 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000225329390 571685933 /nfs/dbraw/zinc/68/59/33/571685933.db2.gz RAFRWFXOZYRTEK-UHFFFAOYSA-N 0 0 569.528 4.811 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)s1 ZINC000225529011 571895872 /nfs/dbraw/zinc/89/58/72/571895872.db2.gz HIPNPRURGWLMIT-UHFFFAOYSA-N 0 0 506.700 4.681 40 30 KJEBRN C=CCSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)s1 ZINC000225604211 571957768 /nfs/dbraw/zinc/95/77/68/571957768.db2.gz FQXWQILPTNVPCL-NRFANRHFSA-N 0 0 560.723 4.717 40 30 KJEBRN C=CCSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)s1 ZINC000225604245 571957686 /nfs/dbraw/zinc/95/76/86/571957686.db2.gz FQXWQILPTNVPCL-OAQYLSRUSA-N 0 0 560.723 4.717 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)s1 ZINC000225736152 572054491 /nfs/dbraw/zinc/05/44/91/572054491.db2.gz KHLKNZGOSQVYJE-UHFFFAOYSA-N 0 0 569.528 4.730 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)s1 ZINC000225752742 572061705 /nfs/dbraw/zinc/06/17/05/572061705.db2.gz PXIRSYASHVCOBO-UHFFFAOYSA-N 0 0 536.726 4.771 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000225753027 572062161 /nfs/dbraw/zinc/06/21/61/572062161.db2.gz JFSGTBUWHNAGNI-UHFFFAOYSA-N 0 0 509.078 4.920 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000225780790 572066956 /nfs/dbraw/zinc/06/69/56/572066956.db2.gz ZWPYRAUDHLZHNS-UHFFFAOYSA-N 0 0 539.502 4.721 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)s1 ZINC000225845121 572076137 /nfs/dbraw/zinc/07/61/37/572076137.db2.gz MTUXQMHEXWJJIP-UHFFFAOYSA-N 0 0 515.469 4.957 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)s1 ZINC000225879184 572080255 /nfs/dbraw/zinc/08/02/55/572080255.db2.gz MYOFGRUHYWVJOA-UHFFFAOYSA-N 0 0 514.576 4.669 40 30 KJEBRN C=CCSc1nnc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000225883995 572080169 /nfs/dbraw/zinc/08/01/69/572080169.db2.gz JTIWRVLTCJPYAL-UHFFFAOYSA-N 0 0 525.077 4.621 40 30 KJEBRN N#CC1(c2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000226004933 572101523 /nfs/dbraw/zinc/10/15/23/572101523.db2.gz CZVRDXCGXUSDIM-UHFFFAOYSA-N 0 0 524.440 4.834 40 30 KJEBRN N#CC1(c2ccc(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000226006354 572101823 /nfs/dbraw/zinc/10/18/23/572101823.db2.gz SYFAFXNIRGCLJZ-UHFFFAOYSA-N 0 0 538.467 4.876 40 30 KJEBRN N#CC1(c2ccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000226007146 572101727 /nfs/dbraw/zinc/10/17/27/572101727.db2.gz YVLJQGQMRCSYLE-UHFFFAOYSA-N 0 0 516.461 4.966 40 30 KJEBRN N#CC1(c2ccc(NC(=O)CN(Cc3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000226016808 572105090 /nfs/dbraw/zinc/10/50/90/572105090.db2.gz RCINGMAJYKUTFO-UHFFFAOYSA-N 0 0 524.440 4.834 40 30 KJEBRN N#Cc1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000226025018 572108017 /nfs/dbraw/zinc/10/80/17/572108017.db2.gz HIBZJZWVIJRHMH-UHFFFAOYSA-N 0 0 518.820 4.804 40 30 KJEBRN N#Cc1cccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000226034318 572110861 /nfs/dbraw/zinc/11/08/61/572110861.db2.gz NGBPDIGOOGPJGL-UHFFFAOYSA-N 0 0 518.820 4.804 40 30 KJEBRN N#Cc1cccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000226038593 572112066 /nfs/dbraw/zinc/11/20/66/572112066.db2.gz SMTDVSHCZJSTDG-UHFFFAOYSA-N 0 0 518.820 4.804 40 30 KJEBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)Cc2ccccc2)cc1Cl ZINC000226051270 572116784 /nfs/dbraw/zinc/11/67/84/572116784.db2.gz IPUAVKSEEIIPHK-UHFFFAOYSA-N 0 0 510.015 4.733 40 30 KJEBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)C2CCCCC2)cc1Cl ZINC000226051959 572117244 /nfs/dbraw/zinc/11/72/44/572117244.db2.gz HEBZRXGMIUVFGK-UHFFFAOYSA-N 0 0 502.036 4.866 40 30 KJEBRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1Cl ZINC000226052662 572117676 /nfs/dbraw/zinc/11/76/76/572117676.db2.gz KPNSSWLLALWACD-UHFFFAOYSA-N 0 0 524.042 4.776 40 30 KJEBRN CCOc1ccc(N(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000226059760 572121035 /nfs/dbraw/zinc/12/10/35/572121035.db2.gz DJEBCIZWNXJFLJ-UHFFFAOYSA-N 0 0 519.623 4.792 40 30 KJEBRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)Cc2ccccc2)cc1C ZINC000226061168 572121437 /nfs/dbraw/zinc/12/14/37/572121437.db2.gz OKVHWVYUPSQRQO-UHFFFAOYSA-N 0 0 503.624 4.779 40 30 KJEBRN N#CCc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000226066529 572123878 /nfs/dbraw/zinc/12/38/78/572123878.db2.gz NLECLZASEVPQNN-UHFFFAOYSA-N 0 0 532.847 4.998 40 30 KJEBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC#N)cc2)Cc2ccc(Br)cc2)cc1 ZINC000226066753 572123912 /nfs/dbraw/zinc/12/39/12/572123912.db2.gz ZIHXRDPZGLJLSG-UHFFFAOYSA-N 0 0 512.429 4.653 40 30 KJEBRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1 ZINC000226066989 572123959 /nfs/dbraw/zinc/12/39/59/572123959.db2.gz FZLNRZZVCZXPAC-UHFFFAOYSA-N 0 0 510.015 4.733 40 30 KJEBRN N#CCc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000226068674 572125088 /nfs/dbraw/zinc/12/50/88/572125088.db2.gz BSLWHDDMBQMGFC-UHFFFAOYSA-N 0 0 502.423 4.932 40 30 KJEBRN N#CCc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000226069312 572125221 /nfs/dbraw/zinc/12/52/21/572125221.db2.gz WOHVFGMKPPGFFT-UHFFFAOYSA-N 0 0 532.847 4.998 40 30 KJEBRN N#CCc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000226069977 572125586 /nfs/dbraw/zinc/12/55/86/572125586.db2.gz MGPKQICLGQVPKM-UHFFFAOYSA-N 0 0 532.847 4.998 40 30 KJEBRN COc1ccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000226074055 572127448 /nfs/dbraw/zinc/12/74/48/572127448.db2.gz KYXIRJZWYTXXLH-UHFFFAOYSA-N 0 0 514.003 4.566 40 30 KJEBRN O/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000226364249 1066220716 /nfs/dbraw/zinc/22/07/16/1066220716.db2.gz ZMZRANQPPUDMKD-WSVATBPTSA-N 0 0 513.500 4.936 40 30 KJEBRN CC(C)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000226452696 572138369 /nfs/dbraw/zinc/13/83/69/572138369.db2.gz XGAFBAQJDBRSKW-MUFQVURISA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000226452704 572138334 /nfs/dbraw/zinc/13/83/34/572138334.db2.gz XGAFBAQJDBRSKW-WZMSJIQNSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl ZINC000226454080 572138321 /nfs/dbraw/zinc/13/83/21/572138321.db2.gz CVSWIWXXQUDAHX-OIZVHTBPSA-N 0 0 584.547 4.731 40 30 KJEBRN CCc1cccc(CC)c1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000226812653 572141341 /nfs/dbraw/zinc/14/13/41/572141341.db2.gz DUJXDPBDMAMDDJ-XDUPDFOXSA-N 0 0 571.765 4.549 40 30 KJEBRN CCc1cccc(CC)c1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000226812668 572141364 /nfs/dbraw/zinc/14/13/64/572141364.db2.gz DUJXDPBDMAMDDJ-TUBJLOQNSA-N 0 0 571.765 4.549 40 30 KJEBRN CC(C)c1ccccc1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000226813054 572141212 /nfs/dbraw/zinc/14/12/12/572141212.db2.gz UQVXEUOFNCCMLY-YBPOATHQSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccccc1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000226813064 572141319 /nfs/dbraw/zinc/14/13/19/572141319.db2.gz UQVXEUOFNCCMLY-ZORSJYIISA-N 0 0 557.738 4.547 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000226813353 572141325 /nfs/dbraw/zinc/14/13/25/572141325.db2.gz MDTXSEUMNYDRFO-JFQORBDDSA-N 0 0 682.659 4.984 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000226813363 572141404 /nfs/dbraw/zinc/14/14/04/572141404.db2.gz MDTXSEUMNYDRFO-CUDUURPZSA-N 0 0 682.659 4.984 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000226815229 572141979 /nfs/dbraw/zinc/14/19/79/572141979.db2.gz SCXVLXUGVQSGNY-CPHWBXNZSA-N 0 0 622.607 4.803 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000226815238 572141887 /nfs/dbraw/zinc/14/18/87/572141887.db2.gz SCXVLXUGVQSGNY-SKHWWOAWSA-N 0 0 622.607 4.803 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000226815292 572142084 /nfs/dbraw/zinc/14/20/84/572142084.db2.gz SNVMRGURXROUQP-DFLOKJDVSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl ZINC000226820046 572141841 /nfs/dbraw/zinc/14/18/41/572141841.db2.gz WFOYTGZTVWRXRJ-OIZVHTBPSA-N 0 0 584.547 4.731 40 30 KJEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000226820522 572141970 /nfs/dbraw/zinc/14/19/70/572141970.db2.gz ALXRYZSTWVMTRR-FUCFKXMVSA-N 0 0 600.807 4.579 40 30 KJEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000226820537 572141997 /nfs/dbraw/zinc/14/19/97/572141997.db2.gz ALXRYZSTWVMTRR-XTORGCHPSA-N 0 0 600.807 4.579 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000226821698 572142939 /nfs/dbraw/zinc/14/29/39/572142939.db2.gz RZYBYTPFABIGER-OIZVHTBPSA-N 0 0 628.998 4.840 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl ZINC000226843840 572143459 /nfs/dbraw/zinc/14/34/59/572143459.db2.gz YWXUNNKGXPQLLF-MEVBBAOESA-N 0 0 584.547 4.731 40 30 KJEBRN CCCCOc1cccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000226847965 572143582 /nfs/dbraw/zinc/14/35/82/572143582.db2.gz YNISCSNKDQPZSB-SJTDQVLPSA-N 0 0 587.764 4.603 40 30 KJEBRN CCCCOc1cccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000226847976 572143274 /nfs/dbraw/zinc/14/32/74/572143274.db2.gz YNISCSNKDQPZSB-ZNAMGTEESA-N 0 0 587.764 4.603 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl ZINC000226848606 572144090 /nfs/dbraw/zinc/14/40/90/572144090.db2.gz OPILNFQWSLJPDR-FYOMBLNJSA-N 0 0 584.547 4.731 40 30 KJEBRN C[C@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)On1nnc2cccc(O)c21 ZINC000238791391 572188532 /nfs/dbraw/zinc/18/85/32/572188532.db2.gz CJVWTSLEDHBWRL-ODKGLIOUSA-N 0 0 530.581 4.630 40 30 KJEBRN CCCCCCCC(=O)O[C@H]1[C@H](NC(C)=O)[C@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]21 ZINC000245189541 572201630 /nfs/dbraw/zinc/20/16/30/572201630.db2.gz PKBYDRQVCHPTIT-FUHBXSALSA-N 0 0 525.642 4.819 40 30 KJEBRN CCCCCCCC(=O)O[C@H]1[C@H](NC(C)=O)[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]21 ZINC000245189542 572201603 /nfs/dbraw/zinc/20/16/03/572201603.db2.gz PKBYDRQVCHPTIT-SZYKEYDLSA-N 0 0 525.642 4.819 40 30 KJEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000245228639 572205264 /nfs/dbraw/zinc/20/52/64/572205264.db2.gz ALXRYZSTWVMTRR-MJMTZAMNSA-N 0 0 600.807 4.579 40 30 KJEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000245228640 572205420 /nfs/dbraw/zinc/20/54/20/572205420.db2.gz ALXRYZSTWVMTRR-XDLFBFRYSA-N 0 0 600.807 4.579 40 30 KJEBRN CCc1cccc(CC)c1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000245228745 572205467 /nfs/dbraw/zinc/20/54/67/572205467.db2.gz DUJXDPBDMAMDDJ-DCVVHPHLSA-N 0 0 571.765 4.549 40 30 KJEBRN CCc1cccc(CC)c1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000245228746 572205443 /nfs/dbraw/zinc/20/54/43/572205443.db2.gz DUJXDPBDMAMDDJ-UEVZGMORSA-N 0 0 571.765 4.549 40 30 KJEBRN CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 ZINC000245228883 572205763 /nfs/dbraw/zinc/20/57/63/572205763.db2.gz ICOVFACSVIKABY-RJJQAJHTSA-N 0 0 525.740 4.793 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000245229060 572206334 /nfs/dbraw/zinc/20/63/34/572206334.db2.gz MDTXSEUMNYDRFO-AYUNECQLSA-N 0 0 682.659 4.984 40 30 KJEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000245229061 572206347 /nfs/dbraw/zinc/20/63/47/572206347.db2.gz MDTXSEUMNYDRFO-SSASAIKCSA-N 0 0 682.659 4.984 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl ZINC000245229153 572206321 /nfs/dbraw/zinc/20/63/21/572206321.db2.gz OPILNFQWSLJPDR-KZRDQKGBSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000245229260 572206670 /nfs/dbraw/zinc/20/66/70/572206670.db2.gz RZYBYTPFABIGER-XSQWVFLWSA-N 0 0 628.998 4.840 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000245229264 572206666 /nfs/dbraw/zinc/20/66/66/572206666.db2.gz SCXVLXUGVQSGNY-IBULYTKTSA-N 0 0 622.607 4.803 40 30 KJEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000245229265 572206738 /nfs/dbraw/zinc/20/67/38/572206738.db2.gz SCXVLXUGVQSGNY-ZOEOQGJDSA-N 0 0 622.607 4.803 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000245229284 572206727 /nfs/dbraw/zinc/20/67/27/572206727.db2.gz SNVMRGURXROUQP-BJJHYZPOSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)c1ccccc1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000245229335 572206745 /nfs/dbraw/zinc/20/67/45/572206745.db2.gz UQVXEUOFNCCMLY-HSIJPNTNSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccccc1N1/C(=N\C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000245229336 572206715 /nfs/dbraw/zinc/20/67/15/572206715.db2.gz UQVXEUOFNCCMLY-JBNIGRRXSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl ZINC000245229379 572207159 /nfs/dbraw/zinc/20/71/59/572207159.db2.gz WFOYTGZTVWRXRJ-XSQWVFLWSA-N 0 0 584.547 4.731 40 30 KJEBRN CCCCOc1cccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000245229469 572207098 /nfs/dbraw/zinc/20/70/98/572207098.db2.gz YNISCSNKDQPZSB-FDXQAXPZSA-N 0 0 587.764 4.603 40 30 KJEBRN CCCCOc1cccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000245229470 572207132 /nfs/dbraw/zinc/20/71/32/572207132.db2.gz YNISCSNKDQPZSB-SFPRFXRDSA-N 0 0 587.764 4.603 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl ZINC000245229483 572207162 /nfs/dbraw/zinc/20/71/62/572207162.db2.gz YWXUNNKGXPQLLF-VKPYPYTNSA-N 0 0 584.547 4.731 40 30 KJEBRN CC(C)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000245318907 572230850 /nfs/dbraw/zinc/23/08/50/572230850.db2.gz XGAFBAQJDBRSKW-JHBXAHBOSA-N 0 0 557.738 4.547 40 30 KJEBRN CC(C)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000245318908 572230769 /nfs/dbraw/zinc/23/07/69/572230769.db2.gz XGAFBAQJDBRSKW-LUISUNMPSA-N 0 0 557.738 4.547 40 30 KJEBRN CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](CCCCNC(=O)CO)NC(=O)CO ZINC000248298340 572257892 /nfs/dbraw/zinc/25/78/92/572257892.db2.gz YXEFULKROYVNEK-RUZDIDTESA-N 0 0 514.748 4.547 40 30 KJEBRN CCCCCCCCCCCCCCCCCCOC(=O)[C@H](CCCCNC(=O)CO)NC(=O)CO ZINC000248298341 572257942 /nfs/dbraw/zinc/25/79/42/572257942.db2.gz YXEFULKROYVNEK-VWLOTQADSA-N 0 0 514.748 4.547 40 30 KJEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl ZINC000250583198 572259116 /nfs/dbraw/zinc/25/91/16/572259116.db2.gz CVSWIWXXQUDAHX-XSQWVFLWSA-N 0 0 584.547 4.731 40 30 KJEBRN C=CCOC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@H](C(=O)OCC=C)[C@H]1c1ccc(Cl)cc1 ZINC000252427755 572260430 /nfs/dbraw/zinc/26/04/30/572260430.db2.gz DXMXJJFFACEERK-MIUCGUHXSA-N 0 0 510.030 4.739 40 30 KJEBRN CC(C)(C)OC(=O)N[C@@]1(C=O)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000252515287 572262147 /nfs/dbraw/zinc/26/21/47/572262147.db2.gz IEXBJCLBUPDQIA-DBXWQHBBSA-N 0 0 514.825 4.505 40 30 KJEBRN CC(C)(C)OC(=O)N[C@]1(C=O)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252515288 572262121 /nfs/dbraw/zinc/26/21/21/572262121.db2.gz IEXBJCLBUPDQIA-WAOWUJCRSA-N 0 0 514.825 4.505 40 30 KJEBRN COc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3cc(OC)c(OC)cc3OC)CC(=O)O4)C2=O)c(OC)c1OC ZINC000253399356 572284749 /nfs/dbraw/zinc/28/47/49/572284749.db2.gz CWGMCJNUUPBEGU-DAFNMPDCSA-N 0 0 548.544 4.795 40 30 KJEBRN COc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3cc(OC)c(OC)cc3OC)CC(=O)O4)C2=O)c(OC)c1OC ZINC000253399358 572284643 /nfs/dbraw/zinc/28/46/43/572284643.db2.gz CWGMCJNUUPBEGU-SFQCIDFKSA-N 0 0 548.544 4.795 40 30 KJEBRN COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C/c2ccc(OC)c(OC)c2OC)C4=O)cc2c1OCO2 ZINC000253401917 572285286 /nfs/dbraw/zinc/28/52/86/572285286.db2.gz FXTTXGYZCLVRPF-BSNPHMGVSA-N 0 0 532.501 4.507 40 30 KJEBRN COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C/c2ccc(OC)c(OC)c2OC)C4=O)cc2c1OCO2 ZINC000253401919 572285424 /nfs/dbraw/zinc/28/54/24/572285424.db2.gz FXTTXGYZCLVRPF-WZIKDTQPSA-N 0 0 532.501 4.507 40 30 KJEBRN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C/c2cc(OC)c(OC)cc2OC)C4=O)c(OC)c1 ZINC000253402061 572285526 /nfs/dbraw/zinc/28/55/26/572285526.db2.gz FZXWUKDLDYJHRY-SXPOYZCRSA-N 0 0 518.518 4.787 40 30 KJEBRN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C/c2cc(OC)c(OC)cc2OC)C4=O)c(OC)c1 ZINC000253402065 572285479 /nfs/dbraw/zinc/28/54/79/572285479.db2.gz FZXWUKDLDYJHRY-ZDZUNBPVSA-N 0 0 518.518 4.787 40 30 KJEBRN COc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)O4)C2=O)c(OC)c1OC ZINC000253414853 572289034 /nfs/dbraw/zinc/28/90/34/572289034.db2.gz YUXUNSVCSAPBJK-NIQDBXHUSA-N 0 0 548.544 4.795 40 30 KJEBRN COc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)O4)C2=O)c(OC)c1OC ZINC000253414854 572289064 /nfs/dbraw/zinc/28/90/64/572289064.db2.gz YUXUNSVCSAPBJK-PGNNWUFWSA-N 0 0 548.544 4.795 40 30 KJEBRN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@](C)(OC)C[C@@H](C)C(=O)C(C)=C[C@]1(C)O ZINC000253476101 1067141188 /nfs/dbraw/zinc/14/11/88/1067141188.db2.gz ZHLSXNLCQSCHHR-JVQYYQIBSA-N 0 0 673.844 4.537 40 30 KJEBRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@@H]3[C@H](CO)C[C@H](O)[C@@H]3OC3(C)C)[C@]12C ZINC000253500659 560038722 /nfs/dbraw/zinc/03/87/22/560038722.db2.gz HWMGIUOYPRKTIB-DYURBVCCSA-N 0 0 590.798 4.573 40 30 biogenic,in-vitro KJEBRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@@H]3[C@H](CO)C[C@H](O)[C@H]3OC3(C)C)[C@]12C ZINC000253500660 560038716 /nfs/dbraw/zinc/03/87/16/560038716.db2.gz HWMGIUOYPRKTIB-HKQPZZTBSA-N 0 0 590.798 4.573 40 30 biogenic,in-vitro KJEBRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@@H]3[C@H](CO)C[C@H](O)[C@@H]3OC3(C)C)[C@]12C ZINC000253500661 291537370 /nfs/dbraw/zinc/53/73/70/291537370.db2.gz HWMGIUOYPRKTIB-KDYRLZNXSA-N 0 0 590.798 4.573 40 30 biogenic,in-vitro KJEBRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@@H]3[C@H](CO)C[C@H](O)[C@H]3OC3(C)C)[C@]12C ZINC000253500662 560038723 /nfs/dbraw/zinc/03/87/23/560038723.db2.gz HWMGIUOYPRKTIB-VQJIFBLPSA-N 0 0 590.798 4.573 40 30 biogenic,in-vitro KJEBRN C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000253575697 572300500 /nfs/dbraw/zinc/30/05/00/572300500.db2.gz UXTNPNSRDOPJRJ-NYFSNJMSSA-N 0 0 679.756 4.809 40 30 KJEBRN C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000253575698 572300472 /nfs/dbraw/zinc/30/04/72/572300472.db2.gz UXTNPNSRDOPJRJ-XBJOCOQJSA-N 0 0 679.756 4.809 40 30 KJEBRN C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)[C@H]1C ZINC000253577798 572300465 /nfs/dbraw/zinc/30/04/65/572300465.db2.gz XMUPJLMNEOAPEF-GEJBHLAJSA-N 0 0 573.657 4.643 40 30 KJEBRN C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)[C@H]1C ZINC000253577799 572300479 /nfs/dbraw/zinc/30/04/79/572300479.db2.gz XMUPJLMNEOAPEF-SBOIZKDVSA-N 0 0 573.657 4.643 40 30 KJEBRN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(CC)CC)C1 ZINC000253578825 572300476 /nfs/dbraw/zinc/30/04/76/572300476.db2.gz YVDYIHAHOFDTOE-LJQNGIJISA-N 0 0 643.767 4.987 40 30 KJEBRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(CC)CC)C1 ZINC000253578826 572300469 /nfs/dbraw/zinc/30/04/69/572300469.db2.gz YVDYIHAHOFDTOE-MGSWOWDQSA-N 0 0 643.767 4.987 40 30 KJEBRN CC(=O)Oc1ccc(C=CC(=O)C[C@@H]2O[C@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000254003206 572302040 /nfs/dbraw/zinc/30/20/40/572302040.db2.gz UGSIBMHKJDXJCF-FHIHVRJDSA-N 0 0 816.765 4.740 40 30 KJEBRN CC(=O)Oc1ccc(C=CC(=O)C[C@@H]2O[C@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000254003216 572301994 /nfs/dbraw/zinc/30/19/94/572301994.db2.gz UGSIBMHKJDXJCF-JVVPPZGBSA-N 0 0 816.765 4.740 40 30 KJEBRN CC(=O)Oc1ccc(C=CC(=O)C[C@@H]2O[C@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000254003222 572301979 /nfs/dbraw/zinc/30/19/79/572301979.db2.gz UGSIBMHKJDXJCF-PLFPZQFMSA-N 0 0 816.765 4.740 40 30 KJEBRN COc1ccc(N=C2S/C(=C\c3cc(Br)c(I)o3)C(=O)N2C)cc1 ZINC000254838804 572303629 /nfs/dbraw/zinc/30/36/29/572303629.db2.gz WRLMYTICZQCQEU-STBHAXGISA-N 0 0 519.158 4.889 40 30 KJEBRN COc1ccc(N=C2S/C(=C\c3ccc(OCC(N)=O)cc3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000254843900 572303771 /nfs/dbraw/zinc/30/37/71/572303771.db2.gz BMHCTRKOLWHFJX-UDAVEZRASA-N 0 0 526.618 4.887 40 30 KJEBRN CCN(CC)c1ccc(N=C(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000254853843 572303775 /nfs/dbraw/zinc/30/37/75/572303775.db2.gz JZRDXDBEKVWEMJ-UHFFFAOYSA-N 0 0 560.563 4.608 40 30 KJEBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=Nc2ccccc2)N(CCCN2CCOCC2)C1=O ZINC000254907331 572303921 /nfs/dbraw/zinc/30/39/21/572303921.db2.gz XXSRUQSJYMATOX-YOWFULMBSA-N 0 0 536.698 4.630 40 30 KJEBRN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C ZINC000256979548 572305841 /nfs/dbraw/zinc/30/58/41/572305841.db2.gz DFHONFBSIXLQBU-FOMSSHHUSA-N 0 0 502.648 4.807 40 30 KJEBRN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]21C ZINC000256979550 572305890 /nfs/dbraw/zinc/30/58/90/572305890.db2.gz DFHONFBSIXLQBU-HXRVHIRCSA-N 0 0 502.648 4.807 40 30 KJEBRN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000256979552 572305851 /nfs/dbraw/zinc/30/58/51/572305851.db2.gz DFHONFBSIXLQBU-KNIAELBTSA-N 0 0 502.648 4.807 40 30 KJEBRN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@@]21C ZINC000256979554 572305891 /nfs/dbraw/zinc/30/58/91/572305891.db2.gz DFHONFBSIXLQBU-MRRKLXINSA-N 0 0 502.648 4.807 40 30 KJEBRN COc1ccc([C@@H]2O[C@H]3[C@H](C[C@H](O[C@H]4CC[C@]5(C=O)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@]5(O)C4)O[C@@H]3C)O2)cc1 ZINC000257198730 572306019 /nfs/dbraw/zinc/30/60/19/572306019.db2.gz HJNAHZQBYVLFQL-SBVRXZIPSA-N 0 0 652.781 4.549 40 30 KJEBRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000261361754 572103745 /nfs/dbraw/zinc/10/37/45/572103745.db2.gz BYMXAJZSUWQGMD-HSZRJFAPSA-O 0 0 513.441 4.650 40 30 KJEBRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000261361755 572103496 /nfs/dbraw/zinc/10/34/96/572103496.db2.gz BYMXAJZSUWQGMD-QHCPKHFHSA-O 0 0 513.441 4.650 40 30 KJEBRN O=C1Nc2ccc(Cl)cc2[C@@]12Nc1ccccc1-c1c(=O)[n-]c(SCc3ccc(Cl)cc3)n[n+]12 ZINC000261361795 572103621 /nfs/dbraw/zinc/10/36/21/572103621.db2.gz AYWOMBKMIKWQRZ-DEOSSOPVSA-O 0 0 509.398 4.815 40 30 KJEBRN O=C1Nc2ccc(Cl)cc2[C@]12Nc1ccccc1-c1c(=O)[n-]c(SCc3ccc(Cl)cc3)n[n+]12 ZINC000261361796 572103513 /nfs/dbraw/zinc/10/35/13/572103513.db2.gz AYWOMBKMIKWQRZ-XMMPIXPASA-O 0 0 509.398 4.815 40 30 KJEBRN Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000261363541 572105063 /nfs/dbraw/zinc/10/50/63/572105063.db2.gz HKZYBFLWIBHBOL-RUZDIDTESA-O 0 0 533.431 4.579 40 30 KJEBRN Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000261363542 572104980 /nfs/dbraw/zinc/10/49/80/572104980.db2.gz HKZYBFLWIBHBOL-VWLOTQADSA-O 0 0 533.431 4.579 40 30 KJEBRN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)cc(Br)c1OC(C)=O ZINC000261365021 572107292 /nfs/dbraw/zinc/10/72/92/572107292.db2.gz PKWJEEMXFXOGFG-JOCHJYFZSA-O 0 0 562.853 4.669 40 30 KJEBRN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)cc(Br)c1OC(C)=O ZINC000261365022 572107220 /nfs/dbraw/zinc/10/72/20/572107220.db2.gz PKWJEEMXFXOGFG-QFIPXVFZSA-O 0 0 562.853 4.669 40 30 KJEBRN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc(Br)c(OCC)c(OC)c1 ZINC000261365130 572107325 /nfs/dbraw/zinc/10/73/25/572107325.db2.gz QESYZVUIOGAXTJ-DEOSSOPVSA-O 0 0 558.478 4.888 40 30 KJEBRN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc(Br)c(OCC)c(OC)c1 ZINC000261365131 572107401 /nfs/dbraw/zinc/10/74/01/572107401.db2.gz QESYZVUIOGAXTJ-XMMPIXPASA-O 0 0 558.478 4.888 40 30 KJEBRN COC(=O)c1ccc(N2C(=O)C[C@@H](Sc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000261526645 572113156 /nfs/dbraw/zinc/11/31/56/572113156.db2.gz FSHWAPIJNXMDMM-GOSISDBHSA-N 0 0 517.510 4.911 40 30 KJEBRN COC(=O)c1ccc(N2C(=O)C[C@H](Sc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000261526646 572113065 /nfs/dbraw/zinc/11/30/65/572113065.db2.gz FSHWAPIJNXMDMM-SFHVURJKSA-N 0 0 517.510 4.911 40 30 KJEBRN CC[C@H](Sc1nc(N)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)c1C#N)C(=O)N[C@@H](C)c1ccccc1 ZINC000261526694 572113128 /nfs/dbraw/zinc/11/31/28/572113128.db2.gz HDFWDEXUBMXXAW-HJPURHCSSA-N 0 0 531.638 4.848 40 30 KJEBRN CC[C@H](Sc1nc(N)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)c1C#N)C(=O)N[C@H](C)c1ccccc1 ZINC000261526695 572113162 /nfs/dbraw/zinc/11/31/62/572113162.db2.gz HDFWDEXUBMXXAW-MWTRTKDXSA-N 0 0 531.638 4.848 40 30 KJEBRN CC[C@@H](Sc1nc(N)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)c1C#N)C(=O)N[C@@H](C)c1ccccc1 ZINC000261526696 572113152 /nfs/dbraw/zinc/11/31/52/572113152.db2.gz HDFWDEXUBMXXAW-QMHKHESXSA-N 0 0 531.638 4.848 40 30 KJEBRN CC[C@@H](Sc1nc(N)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)c1C#N)C(=O)N[C@H](C)c1ccccc1 ZINC000261526697 572113086 /nfs/dbraw/zinc/11/30/86/572113086.db2.gz HDFWDEXUBMXXAW-WAIKUNEKSA-N 0 0 531.638 4.848 40 30 KJEBRN CC[C@H](Sc1nc(N)c(C#N)c(-c2cccc(OC)c2OC)c1C#N)C(=O)N[C@@H](C)c1ccccc1 ZINC000261526835 572113052 /nfs/dbraw/zinc/11/30/52/572113052.db2.gz MWOCBHVTIMYBFZ-AOMKIAJQSA-N 0 0 501.612 4.839 40 30 KJEBRN CC[C@@H](Sc1nc(N)c(C#N)c(-c2cccc(OC)c2OC)c1C#N)C(=O)N[C@@H](C)c1ccccc1 ZINC000261526836 572113197 /nfs/dbraw/zinc/11/31/97/572113197.db2.gz MWOCBHVTIMYBFZ-KSFYIVLOSA-N 0 0 501.612 4.839 40 30 KJEBRN CC[C@@H](Sc1nc(N)c(C#N)c(-c2cccc(OC)c2OC)c1C#N)C(=O)N[C@H](C)c1ccccc1 ZINC000261526837 572113138 /nfs/dbraw/zinc/11/31/38/572113138.db2.gz MWOCBHVTIMYBFZ-OPAMFIHVSA-N 0 0 501.612 4.839 40 30 KJEBRN CC[C@H](Sc1nc(N)c(C#N)c(-c2cccc(OC)c2OC)c1C#N)C(=O)N[C@H](C)c1ccccc1 ZINC000261526838 572113664 /nfs/dbraw/zinc/11/36/64/572113664.db2.gz MWOCBHVTIMYBFZ-ZHRRBRCNSA-N 0 0 501.612 4.839 40 30 KJEBRN COc1cc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc4ccccc4c3)c2C#N)cc(OC)c1OC ZINC000261526910 572113584 /nfs/dbraw/zinc/11/35/84/572113584.db2.gz PKOWAVIDGWQXSG-UHFFFAOYSA-N 0 0 525.590 4.984 40 30 KJEBRN COc1cc(-c2c(C#N)c(N)nc(SCC(=O)N3CCC(c4ccc(F)cc4)CC3)c2C#N)cc(OC)c1OC ZINC000261527017 572113736 /nfs/dbraw/zinc/11/37/36/572113736.db2.gz VJANCOKTODODAM-UHFFFAOYSA-N 0 0 561.639 4.737 40 30 KJEBRN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@]1(O)[C@@H](C)C(=O)O[C@@H]21 ZINC000263583548 572114078 /nfs/dbraw/zinc/11/40/78/572114078.db2.gz JGHHBSWUDDWFLZ-AFLKLJJCSA-N 0 0 634.763 4.813 40 30 KJEBRN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@]1(O)[C@@H](C)C(=O)O[C@@H]21 ZINC000263583549 572114050 /nfs/dbraw/zinc/11/40/50/572114050.db2.gz JGHHBSWUDDWFLZ-LCBSQXIVSA-N 0 0 634.763 4.813 40 30 KJEBRN CCCCOc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)ON2C(=O)CCC2=O)cc1 ZINC000299754811 572134250 /nfs/dbraw/zinc/13/42/50/572134250.db2.gz UKTLGTYFLJWNLA-NDEPHWFRSA-N 0 0 556.615 4.923 40 30 KJEBRN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@](C)(OC)C[C@@H](C)C(=O)C(C)=C[C@]1(C)O ZINC000299888835 1066491473 /nfs/dbraw/zinc/49/14/73/1066491473.db2.gz ZHLSXNLCQSCHHR-UYLBVFESSA-N 0 0 673.844 4.537 40 30 KJEBRN O=C(OCCCCCCCCCCCCCCCCOC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O ZINC000307761606 572145363 /nfs/dbraw/zinc/14/53/63/572145363.db2.gz HYCCSTNWCVSIIF-UHFFFAOYSA-N 0 0 540.610 4.882 40 30 KJEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O ZINC000408526833 572158851 /nfs/dbraw/zinc/15/88/51/572158851.db2.gz COKZMASQVODFGD-PDGQHHTCSA-N 0 0 520.348 4.531 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(I)c1OC ZINC000408529514 572168345 /nfs/dbraw/zinc/16/83/45/572168345.db2.gz IIZDJJOWWMNNJE-DHDCSXOGSA-N 0 0 500.745 4.853 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1cc(Br)ccc1O ZINC000408530377 572171361 /nfs/dbraw/zinc/17/13/61/572171361.db2.gz KSAUUJFBCNKRGQ-UHFFFAOYSA-N 0 0 529.445 4.849 40 30 KJEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(I)c1OCC(N)=O ZINC000408530569 572172266 /nfs/dbraw/zinc/17/22/66/572172266.db2.gz MMIKFHVLPGAGGJ-ZMSDRGEISA-N 0 0 585.423 4.973 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OCC ZINC000408530578 572172401 /nfs/dbraw/zinc/17/24/01/572172401.db2.gz MOCKTPYMPGGGCM-AQTBWJFISA-N 0 0 504.349 4.594 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(I)c1O ZINC000408531168 572175084 /nfs/dbraw/zinc/17/50/84/572175084.db2.gz OODBXPHYVVAGAW-DHDCSXOGSA-N 0 0 500.745 4.941 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000408531755 572176981 /nfs/dbraw/zinc/17/69/81/572176981.db2.gz QPEGGTJSENWEHQ-ZHZULCJRSA-N 0 0 592.436 4.959 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OC ZINC000408532774 572180918 /nfs/dbraw/zinc/18/09/18/572180918.db2.gz VUNSBYIYFWQHQT-BOPFTXTBSA-N 0 0 524.767 4.857 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408533388 572183206 /nfs/dbraw/zinc/18/32/06/572183206.db2.gz QSXXNABSGOEDPE-PDGQHHTCSA-N 0 0 504.349 4.512 40 30 KJEBRN C=CCOc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cccc1OC ZINC000408533796 572184560 /nfs/dbraw/zinc/18/45/60/572184560.db2.gz QTOYOQTYHPQRAU-PDGQHHTCSA-N 0 0 550.374 4.540 40 30 KJEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)C1=O ZINC000408533993 572184762 /nfs/dbraw/zinc/18/47/62/572184762.db2.gz RWDBXYVTIMXVBX-NDENLUEZSA-N 0 0 500.960 4.757 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408534236 572185670 /nfs/dbraw/zinc/18/56/70/572185670.db2.gz UIVIEDNQFGXFBZ-UYRXBGFRSA-N 0 0 518.376 4.902 40 30 KJEBRN C=CCOc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cccc1OC ZINC000408534520 572186093 /nfs/dbraw/zinc/18/60/93/572186093.db2.gz STDBDDANEUCRRI-PDGQHHTCSA-N 0 0 503.374 4.698 40 30 KJEBRN C=CCOc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cccc1OC ZINC000408536145 572190269 /nfs/dbraw/zinc/19/02/69/572190269.db2.gz YHECIYNGNJRGKU-PDGQHHTCSA-N 0 0 503.374 4.698 40 30 KJEBRN C=CCOc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cccc1OC ZINC000408536415 572191062 /nfs/dbraw/zinc/19/10/62/572191062.db2.gz ZIRAETWJQJTUFD-NDENLUEZSA-N 0 0 530.986 4.765 40 30 KJEBRN CCCCCCCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br ZINC000408538934 572199999 /nfs/dbraw/zinc/19/99/99/572199999.db2.gz RQORBWGJJHLGCG-UHFFFAOYSA-N 0 0 518.271 4.865 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cc(Br)ccc1O ZINC000408542861 572211019 /nfs/dbraw/zinc/21/10/19/572211019.db2.gz LLBOJLHBYXPQER-UHFFFAOYSA-N 0 0 502.419 4.940 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1cc(Br)ccc1O ZINC000408543797 572213691 /nfs/dbraw/zinc/21/36/91/572213691.db2.gz QNUPQBVUOBOFLG-UHFFFAOYSA-N 0 0 564.893 4.820 40 30 KJEBRN C=CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1cc(Br)ccc1O ZINC000408543857 572213647 /nfs/dbraw/zinc/21/36/47/572213647.db2.gz RZJSFGFDHPJWBU-UHFFFAOYSA-N 0 0 503.466 4.776 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O ZINC000408544178 572214772 /nfs/dbraw/zinc/21/47/72/572214772.db2.gz SNIXANWGJSTNFB-UHFFFAOYSA-N 0 0 524.784 4.892 40 30 KJEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1)S(C)(=O)=O ZINC000408544218 572214737 /nfs/dbraw/zinc/21/47/37/572214737.db2.gz AOSRNUSZSZCIMN-UHFFFAOYSA-N 0 0 554.477 4.999 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Br)ccc1O ZINC000408544245 572214748 /nfs/dbraw/zinc/21/47/48/572214748.db2.gz UMBJJCNJNGTFIC-UHFFFAOYSA-N 0 0 524.784 4.892 40 30 KJEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1)S(C)(=O)=O ZINC000408544381 572215969 /nfs/dbraw/zinc/21/59/69/572215969.db2.gz HNBKGIVONRNZJB-UHFFFAOYSA-N 0 0 553.584 4.711 40 30 KJEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)sc2C1 ZINC000408544393 572216046 /nfs/dbraw/zinc/21/60/46/572216046.db2.gz STFOAGBFWFBXFR-GOSISDBHSA-N 0 0 563.753 4.689 40 30 KJEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)sc2C1 ZINC000408544398 572215784 /nfs/dbraw/zinc/21/57/84/572215784.db2.gz STFOAGBFWFBXFR-SFHVURJKSA-N 0 0 563.753 4.689 40 30 KJEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1)S(C)(=O)=O ZINC000408546468 572223125 /nfs/dbraw/zinc/22/31/25/572223125.db2.gz DUNWCYRWPOOTFG-UHFFFAOYSA-N 0 0 534.059 4.654 40 30 KJEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1)S(C)(=O)=O ZINC000408547797 572227357 /nfs/dbraw/zinc/22/73/57/572227357.db2.gz NAQILSBRYMWJAB-UHFFFAOYSA-N 0 0 534.059 4.654 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000408548488 572229401 /nfs/dbraw/zinc/22/94/01/572229401.db2.gz HUAJFDFHIFCEBV-BUVRLJJBSA-N 0 0 500.551 4.612 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408549188 572231031 /nfs/dbraw/zinc/23/10/31/572231031.db2.gz QNEDXATYTTXEPS-KEBDBYFISA-N 0 0 519.381 4.765 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408549206 572231581 /nfs/dbraw/zinc/23/15/81/572231581.db2.gz QTNGGABDESEXMR-RGVLZGJSSA-N 0 0 519.381 4.765 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408549857 572232810 /nfs/dbraw/zinc/23/28/10/572232810.db2.gz AJEAWACENJQNMA-HZHRSRAPSA-N 0 0 537.594 4.570 40 30 KJEBRN O=C1/C(=C/c2ccccc2I)SC(=Nc2ccccc2)N1CCCN1CCOCC1 ZINC000408549872 572232866 /nfs/dbraw/zinc/23/28/66/572232866.db2.gz AQMSDZPMSHDLBS-GUGHGEDQSA-N 0 0 533.435 4.618 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408549910 572232862 /nfs/dbraw/zinc/23/28/62/572232862.db2.gz BJZJPDSAXZEOBZ-SSDVNMTOSA-N 0 0 556.438 4.567 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408550005 572232903 /nfs/dbraw/zinc/23/29/03/572232903.db2.gz CMEXQYWIWMFKQF-LFVJCYFKSA-N 0 0 506.624 4.970 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408550264 572233930 /nfs/dbraw/zinc/23/39/30/572233930.db2.gz FIQAZDPKVFVKQJ-LFVJCYFKSA-N 0 0 551.621 4.960 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408550386 572233780 /nfs/dbraw/zinc/23/37/80/572233780.db2.gz GUXOPVYAMKASKY-CIAFOILYSA-N 0 0 556.438 4.567 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408551550 572236438 /nfs/dbraw/zinc/23/64/38/572236438.db2.gz NFIPOZYSPSMEDB-HZHRSRAPSA-N 0 0 510.587 4.801 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408552038 572237391 /nfs/dbraw/zinc/23/73/91/572237391.db2.gz RMXFBNFLPJSUKR-LPYMAVHISA-N 0 0 617.465 4.799 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408552052 572237243 /nfs/dbraw/zinc/23/72/43/572237243.db2.gz RPJRNEHKIIUMJJ-FSJBWODESA-N 0 0 570.465 4.957 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408552352 572238049 /nfs/dbraw/zinc/23/80/49/572238049.db2.gz RVRNVMMTSIEKSH-LPYMAVHISA-N 0 0 570.465 4.957 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408552376 572238054 /nfs/dbraw/zinc/23/80/54/572238054.db2.gz SJBKEPZKSUEYFL-LPYMAVHISA-N 0 0 526.014 4.848 40 30 KJEBRN CCOc1cc(/C=N\O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552917 572239587 /nfs/dbraw/zinc/23/95/87/572239587.db2.gz SHDHDVPGGKEQEW-WNFQYIGGSA-N 0 0 509.127 4.822 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408553044 572239873 /nfs/dbraw/zinc/23/98/73/572239873.db2.gz WDTSXTJFIVNFOP-HZHRSRAPSA-N 0 0 537.594 4.570 40 30 KJEBRN N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1Br ZINC000408553082 572239951 /nfs/dbraw/zinc/23/99/51/572239951.db2.gz WYUILIKMKDPKOM-CIAFOILYSA-N 0 0 526.412 4.558 40 30 KJEBRN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O ZINC000408553084 572239949 /nfs/dbraw/zinc/23/99/49/572239949.db2.gz WZLRWVNWYDXUSR-CIAFOILYSA-N 0 0 526.412 4.558 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408553109 572239974 /nfs/dbraw/zinc/23/99/74/572239974.db2.gz XKKDZXFPNBQDHG-LFVJCYFKSA-N 0 0 551.621 4.960 40 30 KJEBRN CCN1C(=O)/C(=C/c2ccccc2I)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408553462 572240652 /nfs/dbraw/zinc/24/06/52/572240652.db2.gz ZGDLZZSQRVRABT-OIBHPTRJSA-N 0 0 519.408 4.752 40 30 KJEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000408561038 572247748 /nfs/dbraw/zinc/24/77/48/572247748.db2.gz WEFSOZHIBZZBMA-UHFFFAOYSA-N 0 0 502.640 4.676 40 30 KJEBRN COc1ccc(C2=NN(C(=O)CCc3ccc4c(c3)OCO4)[C@@](O)(C(F)(F)C(F)(F)C(F)(F)F)C2)cc1 ZINC000408562669 572248791 /nfs/dbraw/zinc/24/87/91/572248791.db2.gz ADLNEWBWESHUNR-FQEVSTJZSA-N 0 0 536.400 4.515 40 30 KJEBRN COc1ccc(C2=NN(C(=O)CCc3ccc4c(c3)OCO4)[C@](O)(C(F)(F)C(F)(F)C(F)(F)F)C2)cc1 ZINC000408562676 572248852 /nfs/dbraw/zinc/24/88/52/572248852.db2.gz ADLNEWBWESHUNR-HXUWFJFHSA-N 0 0 536.400 4.515 40 30 KJEBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408562719 572248893 /nfs/dbraw/zinc/24/88/93/572248893.db2.gz AJFQLJCMYXGXSI-KRWDZBQOSA-N 0 0 588.230 4.894 40 30 KJEBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408562722 572248776 /nfs/dbraw/zinc/24/87/76/572248776.db2.gz AJFQLJCMYXGXSI-QGZVFWFLSA-N 0 0 588.230 4.894 40 30 KJEBRN O=C([C@@H](O)c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408562805 572248907 /nfs/dbraw/zinc/24/89/07/572248907.db2.gz CUJDIPGQCXBMLJ-DOTOQJQBSA-N 0 0 543.233 4.641 40 30 KJEBRN O=C([C@H](O)c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408562806 572248824 /nfs/dbraw/zinc/24/88/24/572248824.db2.gz CUJDIPGQCXBMLJ-NVXWUHKLSA-N 0 0 543.233 4.641 40 30 KJEBRN O=C([C@@H](O)c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408562807 572248905 /nfs/dbraw/zinc/24/89/05/572248905.db2.gz CUJDIPGQCXBMLJ-RDJZCZTQSA-N 0 0 543.233 4.641 40 30 KJEBRN O=C([C@H](O)c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408562808 572249038 /nfs/dbraw/zinc/24/90/38/572249038.db2.gz CUJDIPGQCXBMLJ-WBVHZDCISA-N 0 0 543.233 4.641 40 30 KJEBRN Cc1ccc(C2=NN(C(=O)CCc3ccc4c(c3)OCO4)[C@@](O)(C(F)(F)C(F)(F)C(F)(F)F)C2)cc1 ZINC000408563316 572249212 /nfs/dbraw/zinc/24/92/12/572249212.db2.gz LETAMOUMBHNCJF-FQEVSTJZSA-N 0 0 520.401 4.814 40 30 KJEBRN Cc1ccc(C2=NN(C(=O)CCc3ccc4c(c3)OCO4)[C@](O)(C(F)(F)C(F)(F)C(F)(F)F)C2)cc1 ZINC000408563325 572249395 /nfs/dbraw/zinc/24/93/95/572249395.db2.gz LETAMOUMBHNCJF-HXUWFJFHSA-N 0 0 520.401 4.814 40 30 KJEBRN N#Cc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000408563455 572249278 /nfs/dbraw/zinc/24/92/78/572249278.db2.gz MFHDZCRSNKMXMH-GOSISDBHSA-N 0 0 523.792 4.749 40 30 KJEBRN N#Cc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000408563457 572249266 /nfs/dbraw/zinc/24/92/66/572249266.db2.gz MFHDZCRSNKMXMH-SFHVURJKSA-N 0 0 523.792 4.749 40 30 KJEBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C([N+](=O)[O-])[C@@]12c1ccccc1NC2=O ZINC000408563522 572249577 /nfs/dbraw/zinc/24/95/77/572249577.db2.gz ATJATVFZWQEBSR-DETVKUJNSA-N 0 0 523.376 4.966 40 30 KJEBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C([N+](=O)[O-])[C@]12c1ccccc1NC2=O ZINC000408563523 572249609 /nfs/dbraw/zinc/24/96/09/572249609.db2.gz ATJATVFZWQEBSR-UFKXBGGNSA-N 0 0 523.376 4.966 40 30 KJEBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C([N+](=O)[O-])[C@]12c1ccccc1NC2=O ZINC000408563524 572249542 /nfs/dbraw/zinc/24/95/42/572249542.db2.gz ATJATVFZWQEBSR-VAQLEPBLSA-N 0 0 523.376 4.966 40 30 KJEBRN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C([N+](=O)[O-])[C@@]12c1ccccc1NC2=O ZINC000408563525 572249522 /nfs/dbraw/zinc/24/95/22/572249522.db2.gz ATJATVFZWQEBSR-VLGQDORFSA-N 0 0 523.376 4.966 40 30 KJEBRN N#Cc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408563559 572249595 /nfs/dbraw/zinc/24/95/95/572249595.db2.gz NYLLLDSUDRYEHC-GOSISDBHSA-N 0 0 523.792 4.749 40 30 KJEBRN N#Cc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408563560 572249504 /nfs/dbraw/zinc/24/95/04/572249504.db2.gz NYLLLDSUDRYEHC-SFHVURJKSA-N 0 0 523.792 4.749 40 30 KJEBRN N#Cc1ccc(OCC(=O)N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000408563885 572249768 /nfs/dbraw/zinc/24/97/68/572249768.db2.gz RQNWIWTUQIIAML-GOSISDBHSA-N 0 0 568.243 4.858 40 30 KJEBRN N#Cc1ccc(OCC(=O)N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000408563887 572249751 /nfs/dbraw/zinc/24/97/51/572249751.db2.gz RQNWIWTUQIIAML-SFHVURJKSA-N 0 0 568.243 4.858 40 30 KJEBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408563899 572249746 /nfs/dbraw/zinc/24/97/46/572249746.db2.gz SAIWWNQTINLUNC-KRWDZBQOSA-N 0 0 543.779 4.785 40 30 KJEBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408563900 572249836 /nfs/dbraw/zinc/24/98/36/572249836.db2.gz SAIWWNQTINLUNC-QGZVFWFLSA-N 0 0 543.779 4.785 40 30 KJEBRN O=C(CCc1ccc2c(c1)OCO2)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408564004 572250139 /nfs/dbraw/zinc/25/01/39/572250139.db2.gz UGIZXPASUIRYSM-IBGZPJMESA-N 0 0 506.374 4.506 40 30 KJEBRN O=C(CCc1ccc2c(c1)OCO2)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408564007 572250094 /nfs/dbraw/zinc/25/00/94/572250094.db2.gz UGIZXPASUIRYSM-LJQANCHMSA-N 0 0 506.374 4.506 40 30 KJEBRN N#Cc1ccccc1OCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408564008 572250183 /nfs/dbraw/zinc/25/01/83/572250183.db2.gz UKOIBNXKCZWEIG-GOSISDBHSA-N 0 0 568.243 4.858 40 30 KJEBRN N#Cc1ccccc1OCC(=O)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000408564009 572250171 /nfs/dbraw/zinc/25/01/71/572250171.db2.gz UKOIBNXKCZWEIG-SFHVURJKSA-N 0 0 568.243 4.858 40 30 KJEBRN N#Cc1ccccc1COc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408564351 572250461 /nfs/dbraw/zinc/25/04/61/572250461.db2.gz CGZOALHICVPPIK-DTOIDXSMSA-N 0 0 514.969 4.845 40 30 KJEBRN N#Cc1ccccc1COc1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408564354 572250439 /nfs/dbraw/zinc/25/04/39/572250439.db2.gz CGZOALHICVPPIK-HDEUIXPWSA-N 0 0 514.969 4.845 40 30 KJEBRN N#Cc1ccccc1COc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408564358 572250344 /nfs/dbraw/zinc/25/03/44/572250344.db2.gz CGZOALHICVPPIK-IWEUKVTLSA-N 0 0 514.969 4.845 40 30 KJEBRN N#Cc1ccccc1COc1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl ZINC000408564361 572250435 /nfs/dbraw/zinc/25/04/35/572250435.db2.gz CGZOALHICVPPIK-JGDRUYDSSA-N 0 0 514.969 4.845 40 30 KJEBRN C=CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Br ZINC000408564514 572250669 /nfs/dbraw/zinc/25/06/69/572250669.db2.gz DGTRPWXMNPKGLW-JROBLHLSSA-N 0 0 563.246 4.831 40 30 KJEBRN C=CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Br ZINC000408564517 572250722 /nfs/dbraw/zinc/25/07/22/572250722.db2.gz DGTRPWXMNPKGLW-KLJZETAQSA-N 0 0 563.246 4.831 40 30 KJEBRN C=CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Br ZINC000408564518 572250715 /nfs/dbraw/zinc/25/07/15/572250715.db2.gz DGTRPWXMNPKGLW-KPYOPSEVSA-N 0 0 563.246 4.831 40 30 KJEBRN C=CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Br ZINC000408564521 572250700 /nfs/dbraw/zinc/25/07/00/572250700.db2.gz DGTRPWXMNPKGLW-QRICJDHISA-N 0 0 563.246 4.831 40 30 KJEBRN C#CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408565302 572252428 /nfs/dbraw/zinc/25/24/28/572252428.db2.gz BQKIOCAUBZUGMP-FQEVSTJZSA-N 0 0 517.405 4.777 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408565304 572252470 /nfs/dbraw/zinc/25/24/70/572252470.db2.gz BQKIOCAUBZUGMP-HXUWFJFHSA-N 0 0 517.405 4.777 40 30 KJEBRN C#CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408565445 572252519 /nfs/dbraw/zinc/25/25/19/572252519.db2.gz BXCYZYMDTIMOIJ-FQEVSTJZSA-N 0 0 517.405 4.777 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408565447 572252554 /nfs/dbraw/zinc/25/25/54/572252554.db2.gz BXCYZYMDTIMOIJ-HXUWFJFHSA-N 0 0 517.405 4.777 40 30 KJEBRN C#CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OCC)cc2)cc1OC ZINC000408565736 572253022 /nfs/dbraw/zinc/25/30/22/572253022.db2.gz CZJWDJGKDJYVIK-NRFANRHFSA-N 0 0 547.431 4.868 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OCC)cc2)cc1OC ZINC000408565741 572253196 /nfs/dbraw/zinc/25/31/96/572253196.db2.gz CZJWDJGKDJYVIK-OAQYLSRUSA-N 0 0 547.431 4.868 40 30 KJEBRN CCOc1cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408566145 572253468 /nfs/dbraw/zinc/25/34/68/572253468.db2.gz NESYHJLYJLYGSN-GFNGZDJJSA-N 0 0 532.984 4.711 40 30 KJEBRN CCOc1cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408566147 572253507 /nfs/dbraw/zinc/25/35/07/572253507.db2.gz NESYHJLYJLYGSN-GHKAFPQUSA-N 0 0 532.984 4.711 40 30 KJEBRN CCOc1cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408566148 572253421 /nfs/dbraw/zinc/25/34/21/572253421.db2.gz NESYHJLYJLYGSN-IYKJZBSOSA-N 0 0 532.984 4.711 40 30 KJEBRN CCOc1cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408566150 572253432 /nfs/dbraw/zinc/25/34/32/572253432.db2.gz NESYHJLYJLYGSN-TUDQOENJSA-N 0 0 532.984 4.711 40 30 KJEBRN C#CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC ZINC000408566555 572253803 /nfs/dbraw/zinc/25/38/03/572253803.db2.gz FOIQDSILWPRCIZ-FQEVSTJZSA-N 0 0 517.405 4.859 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC ZINC000408566557 572253763 /nfs/dbraw/zinc/25/37/63/572253763.db2.gz FOIQDSILWPRCIZ-HXUWFJFHSA-N 0 0 517.405 4.859 40 30 KJEBRN C#CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OCC)cc2)cc1Br ZINC000408568103 572254666 /nfs/dbraw/zinc/25/46/66/572254666.db2.gz HREXBWPKUYQLAI-NRFANRHFSA-N 0 0 517.405 4.859 40 30 KJEBRN C#CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OCC)cc2)cc1Br ZINC000408568105 572254734 /nfs/dbraw/zinc/25/47/34/572254734.db2.gz HREXBWPKUYQLAI-OAQYLSRUSA-N 0 0 517.405 4.859 40 30 KJEBRN C#CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC ZINC000408569955 572256212 /nfs/dbraw/zinc/25/62/12/572256212.db2.gz KIZVFKQKNJPJIA-FQEVSTJZSA-N 0 0 535.395 4.998 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC ZINC000408569958 572256169 /nfs/dbraw/zinc/25/61/69/572256169.db2.gz KIZVFKQKNJPJIA-HXUWFJFHSA-N 0 0 535.395 4.998 40 30 KJEBRN C#CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(OCC)cc1 ZINC000408572654 572258034 /nfs/dbraw/zinc/25/80/34/572258034.db2.gz RQNVGRYTGDUTNH-NRFANRHFSA-N 0 0 517.405 4.859 40 30 KJEBRN C#CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(OCC)cc1 ZINC000408572655 572258018 /nfs/dbraw/zinc/25/80/18/572258018.db2.gz RQNVGRYTGDUTNH-OAQYLSRUSA-N 0 0 517.405 4.859 40 30 KJEBRN C#CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408574569 572259689 /nfs/dbraw/zinc/25/96/89/572259689.db2.gz VGRXXRRKNSQQOS-IBGZPJMESA-N 0 0 521.368 4.608 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408574572 572259785 /nfs/dbraw/zinc/25/97/85/572259785.db2.gz VGRXXRRKNSQQOS-LJQANCHMSA-N 0 0 521.368 4.608 40 30 KJEBRN C#CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OCC)cc2)cc1OC ZINC000408575053 572260160 /nfs/dbraw/zinc/26/01/60/572260160.db2.gz VTOASQCWGIJISR-NRFANRHFSA-N 0 0 502.980 4.759 40 30 KJEBRN C#CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OCC)cc2)cc1OC ZINC000408575054 572260209 /nfs/dbraw/zinc/26/02/09/572260209.db2.gz VTOASQCWGIJISR-OAQYLSRUSA-N 0 0 502.980 4.759 40 30 KJEBRN C#CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OCC ZINC000408575575 572260604 /nfs/dbraw/zinc/26/06/04/572260604.db2.gz WOZOJACEVKOAHE-NRFANRHFSA-N 0 0 547.431 4.868 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OCC ZINC000408575579 572260618 /nfs/dbraw/zinc/26/06/18/572260618.db2.gz WOZOJACEVKOAHE-OAQYLSRUSA-N 0 0 547.431 4.868 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCN(C)C3)nnc1-c1ccc(Cl)cc1Cl ZINC000408582660 572264970 /nfs/dbraw/zinc/26/49/70/572264970.db2.gz OPEVWQFPIWMRQE-UHFFFAOYSA-N 0 0 507.472 4.924 40 30 KJEBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3sc4c(c3C#N)CCN(C)C4)n2)cc1 ZINC000408583232 572265286 /nfs/dbraw/zinc/26/52/86/572265286.db2.gz SSQHBPMZFMDVDJ-UHFFFAOYSA-N 0 0 519.574 4.823 40 30 KJEBRN C=CCOc1c(I)cc(/C=N/OCc2ccccc2C#N)cc1I ZINC000408587840 572266772 /nfs/dbraw/zinc/26/67/72/572266772.db2.gz AHXACSILZIHYHU-SSDVNMTOSA-N 0 0 544.130 4.883 40 30 KJEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408588542 572267021 /nfs/dbraw/zinc/26/70/21/572267021.db2.gz BTYJULJFKGZKGQ-DHRITJCHSA-N 0 0 514.332 4.934 40 30 KJEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408590131 572267542 /nfs/dbraw/zinc/26/75/42/572267542.db2.gz GFHUFGLEOVOVTJ-RPPGKUMJSA-N 0 0 579.322 4.915 40 30 KJEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1Br)C1c3ccccc3C2c2ccccc21 ZINC000408590279 572267704 /nfs/dbraw/zinc/26/77/04/572267704.db2.gz ONUMBLLOJROXQD-NWAJEPAYSA-N 0 0 502.324 4.583 40 30 KJEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1Br)C1c3ccccc3C2c2ccccc21 ZINC000408590283 572267684 /nfs/dbraw/zinc/26/76/84/572267684.db2.gz ONUMBLLOJROXQD-OYMQMEHPSA-N 0 0 502.324 4.583 40 30 KJEBRN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1Br)C1c3ccccc3C2c2ccccc21 ZINC000408590285 572267736 /nfs/dbraw/zinc/26/77/36/572267736.db2.gz ONUMBLLOJROXQD-UUKODJQCSA-N 0 0 502.324 4.583 40 30 KJEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408591870 572268354 /nfs/dbraw/zinc/26/83/54/572268354.db2.gz KWKYRTGDLSGIPQ-DHRITJCHSA-N 0 0 514.332 4.934 40 30 KJEBRN CCOc1c(I)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1I ZINC000408592320 572268599 /nfs/dbraw/zinc/26/85/99/572268599.db2.gz MDTJVFQCWQFGNL-DJKKODMXSA-N 0 0 552.106 4.753 40 30 KJEBRN C=CCOc1c(I)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1I ZINC000408592346 572268558 /nfs/dbraw/zinc/26/85/58/572268558.db2.gz MFEDWFOCYFTHAU-KEBDBYFISA-N 0 0 564.117 4.920 40 30 KJEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccccc1I ZINC000408592601 572268695 /nfs/dbraw/zinc/26/86/95/572268695.db2.gz ZRAXTHLKZWVLHA-SRZZPIQSSA-N 0 0 505.272 4.961 40 30 KJEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408593365 572269057 /nfs/dbraw/zinc/26/90/57/572269057.db2.gz PKPOUAYAVLVYJR-DHRITJCHSA-N 0 0 561.332 4.776 40 30 KJEBRN CCOc1c(I)cc(/C=N/OCc2ccccc2C#N)cc1I ZINC000408593410 572269219 /nfs/dbraw/zinc/26/92/19/572269219.db2.gz PNSGOYHJMLXWMD-UFFVCSGVSA-N 0 0 532.119 4.717 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(Br)ccc1Br ZINC000408595017 572270037 /nfs/dbraw/zinc/27/00/37/572270037.db2.gz FRLXCOABJGVDSI-UHFFFAOYSA-N 0 0 625.343 4.667 40 30 KJEBRN C=CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000408595106 572270228 /nfs/dbraw/zinc/27/02/28/572270228.db2.gz KODMFICWGYLBFW-UHFFFAOYSA-N 0 0 540.649 4.725 40 30 KJEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408595258 572270213 /nfs/dbraw/zinc/27/02/13/572270213.db2.gz LQOXKJIPSMLICH-MZJWZYIUSA-N 0 0 541.345 4.740 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408595609 572270437 /nfs/dbraw/zinc/27/04/37/572270437.db2.gz KILBGXANPOTLCI-DEOSSOPVSA-N 0 0 551.669 4.507 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408595613 572270460 /nfs/dbraw/zinc/27/04/60/572270460.db2.gz KILBGXANPOTLCI-XMMPIXPASA-N 0 0 551.669 4.507 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(Br)ccc1Br ZINC000408595988 572270651 /nfs/dbraw/zinc/27/06/51/572270651.db2.gz LLGOMFXZAFTJDB-UHFFFAOYSA-N 0 0 595.317 4.659 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408596111 572270733 /nfs/dbraw/zinc/27/07/33/572270733.db2.gz OPASHJTZOFMHAF-DEOSSOPVSA-N 0 0 551.669 4.507 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408596113 572270724 /nfs/dbraw/zinc/27/07/24/572270724.db2.gz OPASHJTZOFMHAF-XMMPIXPASA-N 0 0 551.669 4.507 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cc(Br)ccc1Br ZINC000408596671 572271055 /nfs/dbraw/zinc/27/10/55/572271055.db2.gz UFDROSZCTRJJHH-UHFFFAOYSA-N 0 0 579.318 4.958 40 30 KJEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408596740 572271148 /nfs/dbraw/zinc/27/11/48/572271148.db2.gz TYGZMWUDUQBZBD-XODNFHPESA-N 0 0 559.335 4.879 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(Br)ccc1Br ZINC000408596937 572271266 /nfs/dbraw/zinc/27/12/66/572271266.db2.gz WJEXZJLMKCDVPI-UHFFFAOYSA-N 0 0 583.281 4.789 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408596979 572271312 /nfs/dbraw/zinc/27/13/12/572271312.db2.gz XGMOOZJVQFOVEK-HSZRJFAPSA-N 0 0 511.623 4.778 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408596981 572271264 /nfs/dbraw/zinc/27/12/64/572271264.db2.gz XGMOOZJVQFOVEK-QHCPKHFHSA-N 0 0 511.623 4.778 40 30 KJEBRN C=CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000408597086 572271353 /nfs/dbraw/zinc/27/13/53/572271353.db2.gz VQHPZFKEWFRXMA-UHFFFAOYSA-N 0 0 505.556 4.844 40 30 KJEBRN C=CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000408597148 572271363 /nfs/dbraw/zinc/27/13/63/572271363.db2.gz XMCBJILHUVKBNG-UHFFFAOYSA-N 0 0 505.556 4.844 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1cc(Br)ccc1O ZINC000408599656 572272176 /nfs/dbraw/zinc/27/21/76/572272176.db2.gz IXEYCBFGQDKMRU-UHFFFAOYSA-N 0 0 511.348 4.931 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1cc(Br)ccc1O ZINC000408599973 572272337 /nfs/dbraw/zinc/27/23/37/572272337.db2.gz PZBIUVWVWIPALZ-UHFFFAOYSA-N 0 0 511.348 4.931 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2c(C)cc(I)cc2C)nnc1-c1ccccc1O ZINC000408600285 572272427 /nfs/dbraw/zinc/27/24/27/572272427.db2.gz YBPVYPXKXKJUFV-UHFFFAOYSA-N 0 0 520.396 4.789 40 30 KJEBRN Fc1cccc(Cl)c1COc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000408600567 572272540 /nfs/dbraw/zinc/27/25/40/572272540.db2.gz DLKJURWJPNVWOZ-LQNQUEJISA-N 0 0 533.995 4.691 40 30 KJEBRN CC(C)COc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Br ZINC000408604561 572274086 /nfs/dbraw/zinc/27/40/86/572274086.db2.gz VIWBUTMXQNHCEH-CVKSISIWSA-N 0 0 510.440 4.881 40 30 KJEBRN C=CCOc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000408613932 572277571 /nfs/dbraw/zinc/27/75/71/572277571.db2.gz YYTGWYOIHNEDGU-UHFFFAOYSA-N 0 0 510.612 4.719 40 30 KJEBRN C=CCOc1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000408617916 572279779 /nfs/dbraw/zinc/27/97/79/572279779.db2.gz HSZMPYVAAZEDIH-UHFFFAOYSA-N 0 0 547.029 4.765 40 30 KJEBRN C=CCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408618681 572280239 /nfs/dbraw/zinc/28/02/39/572280239.db2.gz LGTLFWNREGZOSF-UHFFFAOYSA-N 0 0 517.003 4.756 40 30 KJEBRN C=CCOc1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408619876 572280803 /nfs/dbraw/zinc/28/08/03/572280803.db2.gz OCVSIVQHSISRRU-UHFFFAOYSA-N 0 0 548.402 4.690 40 30 KJEBRN C=CCOc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408621227 572281485 /nfs/dbraw/zinc/28/14/85/572281485.db2.gz ORSXEHUQUXCTJP-UHFFFAOYSA-N 0 0 547.029 4.765 40 30 KJEBRN C=CCOc1cccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000408622176 572281937 /nfs/dbraw/zinc/28/19/37/572281937.db2.gz BEZUHKDWSHHXFH-UHFFFAOYSA-N 0 0 526.611 4.501 40 30 KJEBRN C=CCOc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408622667 572282251 /nfs/dbraw/zinc/28/22/51/572282251.db2.gz QJCDKFDESCBWPN-UHFFFAOYSA-N 0 0 546.001 4.964 40 30 KJEBRN C=CCOc1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000408623654 572282834 /nfs/dbraw/zinc/28/28/34/572282834.db2.gz SITRWJFDWIAIIQ-UHFFFAOYSA-N 0 0 501.402 4.848 40 30 KJEBRN C=CCOc1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408624799 572283257 /nfs/dbraw/zinc/28/32/57/572283257.db2.gz USSQLWSGYFTPLZ-UHFFFAOYSA-N 0 0 526.611 4.501 40 30 KJEBRN C=CCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408629493 572285071 /nfs/dbraw/zinc/28/50/71/572285071.db2.gz BZXVCGRAHWZMKA-UHFFFAOYSA-N 0 0 510.612 4.719 40 30 KJEBRN C=CCOc1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000408629681 572285262 /nfs/dbraw/zinc/28/52/62/572285262.db2.gz GFGPMLCSARLTSL-UHFFFAOYSA-N 0 0 546.001 4.964 40 30 KJEBRN C=CCOc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000408630136 572285802 /nfs/dbraw/zinc/28/58/02/572285802.db2.gz OENDIYICWLYNHN-UHFFFAOYSA-N 0 0 517.003 4.756 40 30 KJEBRN C=CCOc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408630834 572286718 /nfs/dbraw/zinc/28/67/18/572286718.db2.gz WYDJRXQRXYFIMR-UHFFFAOYSA-N 0 0 501.402 4.848 40 30 KJEBRN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)n2CC)c(C#N)c1C ZINC000408637320 572294211 /nfs/dbraw/zinc/29/42/11/572294211.db2.gz IJWUHGHTWYMBOY-UHFFFAOYSA-N 0 0 520.036 4.776 40 30 KJEBRN CCOC(=O)c1sc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c(C#N)c1C ZINC000408638883 572295438 /nfs/dbraw/zinc/29/54/38/572295438.db2.gz UNFORUBSZIWVKQ-UHFFFAOYSA-N 0 0 506.993 4.760 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408702377 1066547117 /nfs/dbraw/zinc/54/71/17/1066547117.db2.gz AODQGBPSFFYKLX-FQEVSTJZSA-N 0 0 503.349 4.751 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408702378 1066547185 /nfs/dbraw/zinc/54/71/85/1066547185.db2.gz AODQGBPSFFYKLX-HXUWFJFHSA-N 0 0 503.349 4.751 40 30 KJEBRN COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)ccc1O ZINC000408702382 1066547151 /nfs/dbraw/zinc/54/71/51/1066547151.db2.gz BBNQHKHBFIZZIQ-NRFANRHFSA-N 0 0 504.377 4.557 40 30 KJEBRN COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)ccc1O ZINC000408702383 1066547010 /nfs/dbraw/zinc/54/70/10/1066547010.db2.gz BBNQHKHBFIZZIQ-OAQYLSRUSA-N 0 0 504.377 4.557 40 30 KJEBRN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 ZINC000408702511 1066546987 /nfs/dbraw/zinc/54/69/87/1066546987.db2.gz GEIDHINFFIKBSI-JOCHJYFZSA-N 0 0 518.404 4.860 40 30 KJEBRN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 ZINC000408702513 1066547200 /nfs/dbraw/zinc/54/72/00/1066547200.db2.gz GEIDHINFFIKBSI-QFIPXVFZSA-N 0 0 518.404 4.860 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1 ZINC000408702626 1066547163 /nfs/dbraw/zinc/54/71/63/1066547163.db2.gz MBJAGWUYJJYCDN-FQEVSTJZSA-N 0 0 503.349 4.751 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1 ZINC000408702628 1066547208 /nfs/dbraw/zinc/54/72/08/1066547208.db2.gz MBJAGWUYJJYCDN-HXUWFJFHSA-N 0 0 503.349 4.751 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000408702651 1066547177 /nfs/dbraw/zinc/54/71/77/1066547177.db2.gz NJGRZRVNWSZVBA-FQEVSTJZSA-N 0 0 503.349 4.751 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000408702652 1066547193 /nfs/dbraw/zinc/54/71/93/1066547193.db2.gz NJGRZRVNWSZVBA-HXUWFJFHSA-N 0 0 503.349 4.751 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)ccc1O ZINC000408702680 1066546640 /nfs/dbraw/zinc/54/66/40/1066546640.db2.gz OHYKZAHDANIROI-JOCHJYFZSA-N 0 0 518.404 4.947 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)ccc1O ZINC000408702685 1066546678 /nfs/dbraw/zinc/54/66/78/1066546678.db2.gz OHYKZAHDANIROI-QFIPXVFZSA-N 0 0 518.404 4.947 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Br)cc1 ZINC000408702835 1066546688 /nfs/dbraw/zinc/54/66/88/1066546688.db2.gz TZQCTAHBZIXOBD-FQEVSTJZSA-N 0 0 503.349 4.751 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Br)cc1 ZINC000408702837 1066546651 /nfs/dbraw/zinc/54/66/51/1066546651.db2.gz TZQCTAHBZIXOBD-HXUWFJFHSA-N 0 0 503.349 4.751 40 30 KJEBRN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 ZINC000408702898 1066546576 /nfs/dbraw/zinc/54/65/76/1066546576.db2.gz UUDJEMMFFPHAHP-NRFANRHFSA-N 0 0 516.388 4.629 40 30 KJEBRN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 ZINC000408702900 1066546702 /nfs/dbraw/zinc/54/67/02/1066546702.db2.gz UUDJEMMFFPHAHP-OAQYLSRUSA-N 0 0 516.388 4.629 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Br)c1 ZINC000408702939 1066546609 /nfs/dbraw/zinc/54/66/09/1066546609.db2.gz WHGPUDHMHOXOLZ-FQEVSTJZSA-N 0 0 503.349 4.751 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Br)c1 ZINC000408702941 1066546740 /nfs/dbraw/zinc/54/67/40/1066546740.db2.gz WHGPUDHMHOXOLZ-HXUWFJFHSA-N 0 0 503.349 4.751 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(Br)c1 ZINC000408702962 1066546126 /nfs/dbraw/zinc/54/61/26/1066546126.db2.gz WUDRJEBLTBGGDO-FQEVSTJZSA-N 0 0 503.349 4.751 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(Br)c1 ZINC000408702963 1066546198 /nfs/dbraw/zinc/54/61/98/1066546198.db2.gz WUDRJEBLTBGGDO-HXUWFJFHSA-N 0 0 503.349 4.751 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)c(OC)c1 ZINC000408702987 1066546171 /nfs/dbraw/zinc/54/61/71/1066546171.db2.gz ZHNVYHPAMGXAIG-JOCHJYFZSA-N 0 0 518.404 4.860 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCOC(C)C)c(OC)c1 ZINC000408702989 1066546726 /nfs/dbraw/zinc/54/67/26/1066546726.db2.gz ZHNVYHPAMGXAIG-QFIPXVFZSA-N 0 0 518.404 4.860 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000408702995 1066546556 /nfs/dbraw/zinc/54/65/56/1066546556.db2.gz ZLUQJTFVUKOWHJ-FQEVSTJZSA-N 0 0 503.349 4.751 40 30 KJEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000408702997 1066546734 /nfs/dbraw/zinc/54/67/34/1066546734.db2.gz ZLUQJTFVUKOWHJ-HXUWFJFHSA-N 0 0 503.349 4.751 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000408704185 1066545232 /nfs/dbraw/zinc/54/52/32/1066545232.db2.gz YIFPXSBWFWSGCB-UHFFFAOYSA-N 0 0 509.653 4.792 40 30 KJEBRN COc1c(I)cc(I)cc1/C=C1/SC(=Nc2ccccc2)NC1=O ZINC000408718184 1066559018 /nfs/dbraw/zinc/55/90/18/1066559018.db2.gz OWFSHXXSROHOJX-RIYZIHGNSA-N 0 0 562.170 4.796 40 30 KJEBRN CCOc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408718624 1066562398 /nfs/dbraw/zinc/56/23/98/1066562398.db2.gz LDDGGFHLPRUBLM-AJBULDERSA-N 0 0 582.621 5.000 40 30 KJEBRN Cc1cc(Br)c(Nc2nc(NN=Cc3cc(Br)ccc3O)nc(N3CCOCC3)n2)cc1Cl ZINC000408718905 1066562344 /nfs/dbraw/zinc/56/23/44/1066562344.db2.gz BFMXCFICYSBUDQ-GATIEOLUSA-N 0 0 597.699 4.512 40 30 KJEBRN Cc1cc(Br)c(Nc2nc(NN=Cc3ccccc3Cl)nc(N3CCOCC3)n2)cc1Cl ZINC000408718939 1066562287 /nfs/dbraw/zinc/56/22/87/1066562287.db2.gz BSTIHWZYTAYWPM-ROTLSHHCSA-N 0 0 537.249 4.697 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408719178 1066562300 /nfs/dbraw/zinc/56/23/00/1066562300.db2.gz JSLAWIJYHZILMB-FSGOGVSDSA-N 0 0 554.611 4.969 40 30 KJEBRN Cc1nc2sc3c(c2c(=O)n1/N=C/c1c(O)c(I)cc2ccccc21)CCCC3 ZINC000408719181 1066198539 /nfs/dbraw/zinc/19/85/39/1066198539.db2.gz KGXQXXZACGINOT-BHGWPJFGSA-N 0 0 515.376 4.991 40 30 KJEBRN COc1c(I)cc(/C=N/n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1I ZINC000408719211 1066198562 /nfs/dbraw/zinc/19/85/62/1066198562.db2.gz MVISFEAYDXXEMV-LSFURLLWSA-N 0 0 605.239 4.745 40 30 KJEBRN COc1ccc(C=NNc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)cc1Br ZINC000408719676 1066562403 /nfs/dbraw/zinc/56/24/03/1066562403.db2.gz OZOBRLZKPQGEOG-ZRGSRPPYSA-N 0 0 611.726 4.815 40 30 KJEBRN COc1cc(Br)cc(C=NNc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)c1O ZINC000408719800 1066562369 /nfs/dbraw/zinc/56/23/69/1066562369.db2.gz SKFBMNURPQWPAE-KBKYJPHKSA-N 0 0 627.725 4.521 40 30 KJEBRN COc1ccc(Br)cc1C=NNc1nc(Nc2cc(Cl)c(C)cc2Br)nc(N2CCOCC2)n1 ZINC000408720068 1066559104 /nfs/dbraw/zinc/55/91/04/1066559104.db2.gz XBDRIBRNKPEYLY-ZRGSRPPYSA-N 0 0 611.726 4.815 40 30 KJEBRN Cc1cc(Br)c(Nc2nc(NN=Cc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1Cl ZINC000408720069 1066558944 /nfs/dbraw/zinc/55/89/44/1066558944.db2.gz XBNLRBDMHJXDBU-ROTLSHHCSA-N 0 0 537.249 4.697 40 30 KJEBRN C#CCOc1c(I)cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1OC ZINC000408720105 1066559145 /nfs/dbraw/zinc/55/91/45/1066559145.db2.gz XLBVDLOPKWQWJV-LQKURTRISA-N 0 0 601.424 4.816 40 30 KJEBRN COc1cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc(Br)c1OCC#N ZINC000408720206 1066562305 /nfs/dbraw/zinc/56/23/05/1066562305.db2.gz ZMYOWIOALWTXAH-RWPZCVJISA-N 0 0 555.412 4.864 40 30 KJEBRN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=NN=c2[nH]c3nonc3nc2Nc2ccc(Br)cc2)o1 ZINC000408720622 1066561868 /nfs/dbraw/zinc/56/18/68/1066561868.db2.gz AKGGFYRPSUNLKW-GATIEOLUSA-N 0 0 549.345 4.594 40 30 KJEBRN COc1ccccc1N=C1NC(=O)/C(=C/c2cc(I)cc(I)c2OC)S1 ZINC000408720824 1066561919 /nfs/dbraw/zinc/56/19/19/1066561919.db2.gz DXZMDCCZDADVDU-NVNXTCNLSA-N 0 0 592.196 4.805 40 30 KJEBRN O=[N+]([O-])c1cc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)ccc1Cl ZINC000408720849 1066561888 /nfs/dbraw/zinc/56/18/88/1066561888.db2.gz FSOIPRQSMOQCBS-VROXFSQNSA-N 0 0 555.736 4.630 40 30 KJEBRN Cc1ccc(NN=c2[nH]c3nonc3nc2NN=Cc2ccc(-c3ccccc3OC(=O)c3ccccc3)o2)cc1 ZINC000408720864 1066561959 /nfs/dbraw/zinc/56/19/59/1066561959.db2.gz GGKOVFMGIACSJX-LQNQUEJISA-N 0 0 546.547 4.529 40 30 KJEBRN Cc1cc([N+](=O)[O-])c(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)cc1Cl ZINC000408720927 1066561861 /nfs/dbraw/zinc/56/18/61/1066561861.db2.gz HBQYHNKPOZFAPA-MRUKODCESA-N 0 0 569.763 4.939 40 30 KJEBRN Brc1ccc(Nc2nc3nonc3nc2N=NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000408720949 1066561872 /nfs/dbraw/zinc/56/18/72/1066561872.db2.gz HJRVMSKUHPZIOV-MYKKPKGFSA-N 0 0 555.190 4.831 40 30 KJEBRN O=C(Oc1ccccc1-c1ccc(C=NN=c2[nH]c3nonc3nc2Nc2ccc(F)cc2)o1)c1ccccc1 ZINC000408720952 1066562044 /nfs/dbraw/zinc/56/20/44/1066562044.db2.gz HKBFJDSIJDEJFT-UHBFCERESA-N 0 0 535.495 4.665 40 30 KJEBRN COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2ccc(O)c(OC)c2[N+](=O)[O-])ccc1O ZINC000408721109 1066561946 /nfs/dbraw/zinc/56/19/46/1066561946.db2.gz KPAPHJCBOGQMJI-YSURURNPSA-N 0 0 513.304 4.851 40 30 KJEBRN COc1ccc(-c2ccc(CN=Nc3nc4nonc4nc3Nc3ccc(Br)cc3)o2)cc1Cl ZINC000408721206 1066561881 /nfs/dbraw/zinc/56/18/81/1066561881.db2.gz MIFDSROUSFYFOJ-GATIEOLUSA-N 0 0 540.765 4.731 40 30 KJEBRN Cc1ccc(Nc2nc(NN=Cc3cc([N+](=O)[O-])c(Cl)cc3Cl)nc(N3CCOCC3)n2)c(Br)c1 ZINC000408721374 1066561993 /nfs/dbraw/zinc/56/19/93/1066561993.db2.gz QGQSRUFDPNPXDW-OPEKNORGSA-N 0 0 582.246 4.606 40 30 KJEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)c1 ZINC000408721403 1066561912 /nfs/dbraw/zinc/56/19/12/1066561912.db2.gz QNEYZXQEGNYQQN-VROXFSQNSA-N 0 0 555.736 4.630 40 30 KJEBRN Clc1cccc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)c1 ZINC000408721518 1066561971 /nfs/dbraw/zinc/56/19/71/1066561971.db2.gz SACNIACPCYSDRG-MYKKPKGFSA-N 0 0 510.739 4.722 40 30 KJEBRN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)c(Cl)c1 ZINC000408721607 1066561906 /nfs/dbraw/zinc/56/19/06/1066561906.db2.gz VNUCIHTWTVIMHX-VROXFSQNSA-N 0 0 555.736 4.630 40 30 KJEBRN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C=NN=c2[nH]c3nonc3nc2Nc2ccc(Br)cc2)o1 ZINC000408721660 1066561899 /nfs/dbraw/zinc/56/18/99/1066561899.db2.gz WNQWNLZGAVZCJO-GATIEOLUSA-N 0 0 549.345 4.594 40 30 KJEBRN COc1ccccc1N=C1NC(=O)/C(=C/c2cc(I)cc(I)c2O)S1 ZINC000408721663 1066561927 /nfs/dbraw/zinc/56/19/27/1066561927.db2.gz WRCYMQNJRHBYPY-AUWJEWJLSA-N 0 0 578.169 4.502 40 30 KJEBRN Cc1cc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)c([N+](=O)[O-])cc1C ZINC000408721796 1066561221 /nfs/dbraw/zinc/56/12/21/1066561221.db2.gz YUKPFCOVSHMPAX-GATIEOLUSA-N 0 0 549.345 4.594 40 30 KJEBRN C=CCOc1c(I)cc(CN=Nc2nc(C)cc(COC)c2C#N)cc1I ZINC000408722829 1066561478 /nfs/dbraw/zinc/56/14/78/1066561478.db2.gz XOZITXOFXGUKDC-AUEPDCJTSA-N 0 0 588.187 4.628 40 30 KJEBRN O=C(Oc1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408723977 1066560813 /nfs/dbraw/zinc/56/08/13/1066560813.db2.gz BNNPCJBBMOSUNP-NDZAJKAJSA-N 0 0 546.547 4.776 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OC(=O)c1ccccc1 ZINC000408724168 1066559186 /nfs/dbraw/zinc/55/91/86/1066559186.db2.gz GXSXGCPBCLUDEE-AJBULDERSA-N 0 0 531.576 4.876 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccccc1 ZINC000408724230 1066559129 /nfs/dbraw/zinc/55/91/29/1066559129.db2.gz IJBLSFBULAEQPN-TWKHWXDSSA-N 0 0 523.597 4.701 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccccc1 ZINC000408724265 1066559037 /nfs/dbraw/zinc/55/90/37/1066559037.db2.gz JFUJBBMPLOGPLY-ZTKZIYFRSA-N 0 0 515.618 4.526 40 30 KJEBRN O=C1C=CC(=NNc2ccccc2Cl)C=C1C=[NH+][N-]c1nc(N2CCCC2)nc(N2CCOCC2)n1 ZINC000408724495 1066560670 /nfs/dbraw/zinc/56/06/70/1066560670.db2.gz LGELYUGNGRAXMO-HTJVSNRESA-N 0 0 507.986 4.529 40 30 KJEBRN Cc1ccc(NN=C2C=CC(=O)C(C=[NH+][N-]c3nc(N4CCCCC4)nc(N4CCOCC4)n3)=C2)cc1C ZINC000408724688 1066560716 /nfs/dbraw/zinc/56/07/16/1066560716.db2.gz AAXRANHINLHHCI-FSIULUKDSA-N 0 0 515.622 4.882 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408724786 1066560407 /nfs/dbraw/zinc/56/04/07/1066560407.db2.gz CATLGLQQKPMRCB-GWRYVSOYSA-N 0 0 751.599 4.879 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408724788 1066560377 /nfs/dbraw/zinc/56/03/77/1066560377.db2.gz CATLGLQQKPMRCB-XSTKMXAKSA-N 0 0 751.599 4.879 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)ccc1OC(=O)c1ccccc1I ZINC000408724825 1066560388 /nfs/dbraw/zinc/56/03/88/1066560388.db2.gz BHBNEGKBXDGOAW-UXHLAJHPSA-N 0 0 635.466 4.916 40 30 KJEBRN O=C1C=CC(=NNc2cccc(Cl)c2)C=C1C=[NH+][N-]c1nc(N2CCCCC2)nc(N2CCOCC2)n1 ZINC000408724833 1066560339 /nfs/dbraw/zinc/56/03/39/1066560339.db2.gz BIRLLUPVJPSIAN-GADOICFASA-N 0 0 522.013 4.919 40 30 KJEBRN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1 ZINC000408724876 1066560311 /nfs/dbraw/zinc/56/03/11/1066560311.db2.gz MNGMPQWDPADDLX-NDZAJKAJSA-N 0 0 552.079 4.776 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCc1ccc(Cl)cc1 ZINC000408725187 1066560059 /nfs/dbraw/zinc/56/00/59/1066560059.db2.gz DGBNKKIUDWZHDH-OGLMXYFKSA-N 0 0 508.026 4.759 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000408725242 1066560383 /nfs/dbraw/zinc/56/03/83/1066560383.db2.gz KFFFFZXUFWUPAI-UXHLAJHPSA-N 0 0 544.015 4.965 40 30 KJEBRN CCOc1cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc(Br)c1O ZINC000408725309 1066560043 /nfs/dbraw/zinc/56/00/43/1066560043.db2.gz DZUVZZUCMNSJLK-CVKSISIWSA-N 0 0 520.391 4.515 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408725704 1066559950 /nfs/dbraw/zinc/55/99/50/1066559950.db2.gz IVWIXLOCCUGHMC-DYCDSJFESA-N 0 0 735.556 4.591 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408725708 1066559993 /nfs/dbraw/zinc/55/99/93/1066559993.db2.gz IVWIXLOCCUGHMC-WLNFRNCRSA-N 0 0 735.556 4.591 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)ccc1OC(=O)c1cccc(C)c1 ZINC000408725954 1066559965 /nfs/dbraw/zinc/55/99/65/1066559965.db2.gz OFVMSQMDXYIIQS-NDZAJKAJSA-N 0 0 523.597 4.620 40 30 KJEBRN O=C(Oc1cccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408725962 1066559938 /nfs/dbraw/zinc/55/99/38/1066559938.db2.gz RCIXEOUIVIPTSK-NDZAJKAJSA-N 0 0 546.547 4.776 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408726199 1066559593 /nfs/dbraw/zinc/55/95/93/1066559593.db2.gz ACRBGQRNNIQGFU-LCQSEVKBSA-N 0 0 691.547 4.862 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408726200 1066559659 /nfs/dbraw/zinc/55/96/59/1066559659.db2.gz ACRBGQRNNIQGFU-UQDCTOEPSA-N 0 0 691.547 4.862 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408726255 1066559603 /nfs/dbraw/zinc/55/96/03/1066559603.db2.gz MOWKMRFSLAUMPB-MGXIGDRJSA-N 0 0 540.641 4.525 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408726258 1066559530 /nfs/dbraw/zinc/55/95/30/1066559530.db2.gz MOWKMRFSLAUMPB-RFZPLYKNSA-N 0 0 540.641 4.525 40 30 KJEBRN O=C(Oc1cccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408726303 1066559542 /nfs/dbraw/zinc/55/95/42/1066559542.db2.gz LLCYHNYKJGSTMU-UXHLAJHPSA-N 0 0 591.544 4.684 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408726357 1066559517 /nfs/dbraw/zinc/55/95/17/1066559517.db2.gz NFHZOCXJFWXKDP-KEPJHFNWSA-N 0 0 600.096 4.911 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408726362 1066559457 /nfs/dbraw/zinc/55/94/57/1066559457.db2.gz NFHZOCXJFWXKDP-MIUGUJGPSA-N 0 0 600.096 4.911 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408726408 1066559558 /nfs/dbraw/zinc/55/95/58/1066559558.db2.gz NNQMHWRMBLCXDB-JAYSWQADSA-N 0 0 697.576 4.924 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408726413 1066559502 /nfs/dbraw/zinc/55/95/02/1066559502.db2.gz NNQMHWRMBLCXDB-KEQCBNTKSA-N 0 0 697.576 4.924 40 30 KJEBRN Clc1ccc(COc2cccc(C=NNc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)c2)cc1 ZINC000408726683 1066559442 /nfs/dbraw/zinc/55/94/42/1066559442.db2.gz SRHYLSVZZJJQCA-RDRPBHBLSA-N 0 0 516.005 4.552 40 30 KJEBRN COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408726746 1066559476 /nfs/dbraw/zinc/55/94/76/1066559476.db2.gz VCLKGUKOUDDXJE-MTDXEUNCSA-N 0 0 577.602 4.916 40 30 KJEBRN CCOc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1I ZINC000408726834 1066559047 /nfs/dbraw/zinc/55/90/47/1066559047.db2.gz NHEIWNOROQCFGK-ZCTHSVRISA-N 0 0 665.492 4.542 40 30 KJEBRN O=C(Oc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408727205 1066559116 /nfs/dbraw/zinc/55/91/16/1066559116.db2.gz VCVRKELTCBJCEN-VUTHCHCSSA-N 0 0 538.568 4.601 40 30 KJEBRN O=C(Oc1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408727279 1066562387 /nfs/dbraw/zinc/56/23/87/1066562387.db2.gz YGBNAAIOFIGCNY-UXHLAJHPSA-N 0 0 591.544 4.684 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408727372 1066571361 /nfs/dbraw/zinc/57/13/61/1066571361.db2.gz RMZSPOXBWSSIHW-GWRYVSOYSA-N 0 0 751.599 4.879 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408727375 1066571323 /nfs/dbraw/zinc/57/13/23/1066571323.db2.gz RMZSPOXBWSSIHW-XSTKMXAKSA-N 0 0 751.599 4.879 40 30 KJEBRN O=C(Oc1cccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1)c1ccccc1I ZINC000408727554 1066571458 /nfs/dbraw/zinc/57/14/58/1066571458.db2.gz QKVCRXOUQPDSIQ-RDRPBHBLSA-N 0 0 605.440 4.907 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408727639 1066571113 /nfs/dbraw/zinc/57/11/13/1066571113.db2.gz FVOXZXDGHDBJGY-ITNPZBTBSA-N 0 0 734.616 4.928 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408727642 1066571034 /nfs/dbraw/zinc/57/10/34/1066571034.db2.gz FVOXZXDGHDBJGY-UAMLYEQYSA-N 0 0 734.616 4.928 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408727707 1066570988 /nfs/dbraw/zinc/57/09/88/1066570988.db2.gz WECKGDODOBPBIN-XOYGFPHKSA-N 0 0 573.896 4.779 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408727711 1066571512 /nfs/dbraw/zinc/57/15/12/1066571512.db2.gz WECKGDODOBPBIN-YJADQXIJSA-N 0 0 573.896 4.779 40 30 KJEBRN CCOc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1 ZINC000408727724 1066571490 /nfs/dbraw/zinc/57/14/90/1066571490.db2.gz XFGYHYBOMMCCGO-ZCTHSVRISA-N 0 0 560.058 4.951 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000408727738 1066571333 /nfs/dbraw/zinc/57/13/33/1066571333.db2.gz RRPDSKBBUPBKIA-ZCTHSVRISA-N 0 0 545.688 4.648 40 30 KJEBRN O=C1C=CC(=NNc2ccccc2Cl)C=C1C=[NH+][N-]c1nc(N2CCCCC2)nc(N2CCOCC2)n1 ZINC000408727852 1066571094 /nfs/dbraw/zinc/57/10/94/1066571094.db2.gz YCMVURAPSSKUDX-GADOICFASA-N 0 0 522.013 4.919 40 30 KJEBRN COc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408727953 1066570978 /nfs/dbraw/zinc/57/09/78/1066570978.db2.gz SUZVROXPBFWJSW-OGLMXYFKSA-N 0 0 571.554 4.701 40 30 KJEBRN Clc1ccccc1COc1ccccc1C=NNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000408728013 1066571044 /nfs/dbraw/zinc/57/10/44/1066571044.db2.gz UPJPRKDMPBCNOI-RDRPBHBLSA-N 0 0 516.005 4.552 40 30 KJEBRN O=[N+]([O-])c1ccc(COc2ccccc2C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000408728025 1066570907 /nfs/dbraw/zinc/57/09/07/1066570907.db2.gz UTUDDRKPYRKECC-VUTHCHCSSA-N 0 0 524.585 4.961 40 30 KJEBRN CCOc1cc(Br)cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1O ZINC000408728067 1066570937 /nfs/dbraw/zinc/57/09/37/1066570937.db2.gz VFLJXGPKDPDKAC-CVKSISIWSA-N 0 0 520.391 4.515 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCc1ccccc1Cl ZINC000408728135 1066571023 /nfs/dbraw/zinc/57/10/23/1066571023.db2.gz WBSIZWITOCPBJS-OGLMXYFKSA-N 0 0 508.026 4.759 40 30 KJEBRN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OC(=O)c1ccccc1I ZINC000408728204 1066571009 /nfs/dbraw/zinc/57/10/09/1066571009.db2.gz WOTHVHHBAZTGMY-RDRPBHBLSA-N 0 0 627.487 4.741 40 30 KJEBRN O=[N+]([O-])c1ccc(COc2ccccc2C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 ZINC000408728223 1066570354 /nfs/dbraw/zinc/57/03/54/1066570354.db2.gz XBUUHVXTYHNSAP-MTDXEUNCSA-N 0 0 510.558 4.571 40 30 KJEBRN O=C(Oc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1)c1ccccc1I ZINC000408728333 1066571065 /nfs/dbraw/zinc/57/10/65/1066571065.db2.gz ZVYYWXJFDVMZBD-RDRPBHBLSA-N 0 0 605.440 4.907 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408728800 1066570603 /nfs/dbraw/zinc/57/06/03/1066570603.db2.gz UJEZMFRAUGGPNW-KEPJHFNWSA-N 0 0 721.573 4.871 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408728801 1066570428 /nfs/dbraw/zinc/57/04/28/1066570428.db2.gz UJEZMFRAUGGPNW-MIUGUJGPSA-N 0 0 721.573 4.871 40 30 KJEBRN COc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)cc1OC ZINC000408728908 1066570401 /nfs/dbraw/zinc/57/04/01/1066570401.db2.gz AIFDRQBGOCOFSA-JAYSWQADSA-N 0 0 579.472 4.864 40 30 KJEBRN COc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)cc1OC ZINC000408728909 1066570464 /nfs/dbraw/zinc/57/04/64/1066570464.db2.gz AIFDRQBGOCOFSA-KEQCBNTKSA-N 0 0 579.472 4.864 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728910 1066570525 /nfs/dbraw/zinc/57/05/25/1066570525.db2.gz AINVWXSFOWPIHV-GVMLUORFSA-N 0 0 562.489 4.913 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728911 1066570385 /nfs/dbraw/zinc/57/03/85/1066570385.db2.gz AINVWXSFOWPIHV-KMBIYUNPSA-N 0 0 562.489 4.913 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728921 1066570556 /nfs/dbraw/zinc/57/05/56/1066570556.db2.gz ATCGLKCHWRSZTG-JGTYQCAFSA-N 0 0 564.417 4.755 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728922 1066570487 /nfs/dbraw/zinc/57/04/87/1066570487.db2.gz ATCGLKCHWRSZTG-LYRGBEMXSA-N 0 0 564.417 4.755 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728928 1066570474 /nfs/dbraw/zinc/57/04/74/1066570474.db2.gz AVAURGSLQXFMJL-MGSPXPDISA-N 0 0 519.420 4.847 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728929 1066570374 /nfs/dbraw/zinc/57/03/74/1066570374.db2.gz AVAURGSLQXFMJL-XPCGLTFESA-N 0 0 519.420 4.847 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728973 1066570545 /nfs/dbraw/zinc/57/05/45/1066570545.db2.gz BHVMIXWINQMVPS-JGTYQCAFSA-N 0 0 535.419 4.552 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408728975 1066570417 /nfs/dbraw/zinc/57/04/17/1066570417.db2.gz BHVMIXWINQMVPS-LYRGBEMXSA-N 0 0 535.419 4.552 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408729461 1066570172 /nfs/dbraw/zinc/57/01/72/1066570172.db2.gz FLRNIHRQUPYRRL-JGTYQCAFSA-N 0 0 535.419 4.552 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408729464 1066570118 /nfs/dbraw/zinc/57/01/18/1066570118.db2.gz FLRNIHRQUPYRRL-LYRGBEMXSA-N 0 0 535.419 4.552 40 30 KJEBRN COc1cccc(C=c2sc3n(c2=O)[C@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)c1 ZINC000408729470 1066570072 /nfs/dbraw/zinc/57/00/72/1066570072.db2.gz FPPRUZOVLXWHHC-AQIZGWBQSA-N 0 0 549.446 4.855 40 30 KJEBRN COc1cccc(C=c2sc3n(c2=O)[C@@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)c1 ZINC000408729471 1066570146 /nfs/dbraw/zinc/57/01/46/1066570146.db2.gz FPPRUZOVLXWHHC-ZDGAQAAHSA-N 0 0 549.446 4.855 40 30 KJEBRN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1 ZINC000408729832 1066569728 /nfs/dbraw/zinc/56/97/28/1066569728.db2.gz JLLFJVPUYYZLMK-ASUJOLEISA-N 0 0 567.711 4.868 40 30 KJEBRN CCOc1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1 ZINC000408729833 1066569797 /nfs/dbraw/zinc/56/97/97/1066569797.db2.gz JLLFJVPUYYZLMK-OGMUYLFESA-N 0 0 567.711 4.868 40 30 KJEBRN CC(C)(C)OC(=O)COc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000408729864 1066569737 /nfs/dbraw/zinc/56/97/37/1066569737.db2.gz KGLZPDIWBKHFPH-RDRPBHBLSA-N 0 0 506.624 4.905 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408729967 1066569675 /nfs/dbraw/zinc/56/96/75/1066569675.db2.gz LYYHVHTUISKCKY-GVMLUORFSA-N 0 0 562.489 4.913 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408729968 1066569770 /nfs/dbraw/zinc/56/97/70/1066569770.db2.gz LYYHVHTUISKCKY-KMBIYUNPSA-N 0 0 562.489 4.913 40 30 KJEBRN O=c1c2c3c(sc2ncn1/N=C/c1c(O)c(I)cc2ccccc21)CCCC3 ZINC000408729995 1066569776 /nfs/dbraw/zinc/56/97/76/1066569776.db2.gz DAOHMFSSBTXTCN-YSURURNPSA-N 0 0 501.349 4.682 40 30 KJEBRN Fc1cnc(N=NCc2cc(I)c(OCc3ccccc3)c(I)c2)nc1N1CCOCC1 ZINC000408730243 1066569261 /nfs/dbraw/zinc/56/92/61/1066569261.db2.gz PGYKJDMEDFETCC-UHFFFAOYSA-N 0 0 659.241 4.687 40 30 KJEBRN O=C(COc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1)N1CCCCC1 ZINC000408730338 1066568783 /nfs/dbraw/zinc/56/87/83/1066568783.db2.gz PTXVITVXDRASRG-TWKHWXDSSA-N 0 0 517.651 4.576 40 30 KJEBRN COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(-c5ccc(Br)cc5)o4)c(=O)n32)cc1 ZINC000408730340 1066569198 /nfs/dbraw/zinc/56/91/98/1066569198.db2.gz PUBBDWSAEMQQNU-AQIZGWBQSA-N 0 0 549.446 4.855 40 30 KJEBRN COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(-c5ccc(Br)cc5)o4)c(=O)n32)cc1 ZINC000408730341 1066569298 /nfs/dbraw/zinc/56/92/98/1066569298.db2.gz PUBBDWSAEMQQNU-ZDGAQAAHSA-N 0 0 549.446 4.855 40 30 KJEBRN Clc1ccc(-c2ccc(CN=Nc3nc4nonc4nc3Nc3ccc(I)cc3)o2)cc1 ZINC000408730343 1066569237 /nfs/dbraw/zinc/56/92/37/1066569237.db2.gz PUEYXZAYQAZBQP-BHGWPJFGSA-N 0 0 557.739 4.564 40 30 KJEBRN CCOc1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1 ZINC000408730375 1066569222 /nfs/dbraw/zinc/56/92/22/1066569222.db2.gz QGRKNTOQCLREQJ-JLHDDXNDSA-N 0 0 554.668 4.811 40 30 KJEBRN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1 ZINC000408730378 1066569206 /nfs/dbraw/zinc/56/92/06/1066569206.db2.gz QGRKNTOQCLREQJ-PYCBVSLESA-N 0 0 554.668 4.811 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3cccc(O)c3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730395 1066569247 /nfs/dbraw/zinc/56/92/47/1066569247.db2.gz QLCVLWUKVDLPOK-JGTYQCAFSA-N 0 0 535.419 4.552 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730397 1066569310 /nfs/dbraw/zinc/56/93/10/1066569310.db2.gz QLCVLWUKVDLPOK-LYRGBEMXSA-N 0 0 535.419 4.552 40 30 KJEBRN COc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408730424 1066568894 /nfs/dbraw/zinc/56/88/94/1066568894.db2.gz QTRHHIWSTCXTHQ-UHFFFAOYSA-N 0 0 506.365 4.793 40 30 KJEBRN COc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)cc1 ZINC000408730482 1066568836 /nfs/dbraw/zinc/56/88/36/1066568836.db2.gz RGQFKAPGJBBWQO-AQIZGWBQSA-N 0 0 549.446 4.855 40 30 KJEBRN COc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)cc1 ZINC000408730483 1066568772 /nfs/dbraw/zinc/56/87/72/1066568772.db2.gz RGQFKAPGJBBWQO-ZDGAQAAHSA-N 0 0 549.446 4.855 40 30 KJEBRN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)ccc1O ZINC000408730602 1066568355 /nfs/dbraw/zinc/56/83/55/1066568355.db2.gz RSCBLWBXGJVENU-JAYSWQADSA-N 0 0 579.472 4.951 40 30 KJEBRN CCOc1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)ccc1O ZINC000408730603 1066568423 /nfs/dbraw/zinc/56/84/23/1066568423.db2.gz RSCBLWBXGJVENU-KEQCBNTKSA-N 0 0 579.472 4.951 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730654 1066568827 /nfs/dbraw/zinc/56/88/27/1066568827.db2.gz SUOMBCUUTBHUQW-RLGZEVEKSA-N 0 0 563.429 4.575 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730656 1066568725 /nfs/dbraw/zinc/56/87/25/1066568725.db2.gz SUOMBCUUTBHUQW-WLPTYJMBSA-N 0 0 563.429 4.575 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408730910 1066567973 /nfs/dbraw/zinc/56/79/73/1066567973.db2.gz VPYVKIUDJHCETL-GVMLUORFSA-N 0 0 609.489 4.755 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408730911 1066567916 /nfs/dbraw/zinc/56/79/16/1066567916.db2.gz VPYVKIUDJHCETL-KMBIYUNPSA-N 0 0 609.489 4.755 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730923 1066567922 /nfs/dbraw/zinc/56/79/22/1066567922.db2.gz WFJMZQLBXLXWRI-JGTYQCAFSA-N 0 0 537.410 4.986 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730924 1066567926 /nfs/dbraw/zinc/56/79/26/1066567926.db2.gz WFJMZQLBXLXWRI-LYRGBEMXSA-N 0 0 537.410 4.986 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408730955 1066567992 /nfs/dbraw/zinc/56/79/92/1066567992.db2.gz WZNACZCNBKQKRG-JAYSWQADSA-N 0 0 563.035 4.712 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408730956 1066568015 /nfs/dbraw/zinc/56/80/15/1066568015.db2.gz WZNACZCNBKQKRG-KEQCBNTKSA-N 0 0 563.035 4.712 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730998 1066567940 /nfs/dbraw/zinc/56/79/40/1066567940.db2.gz XOQODXPAZKGFCH-JGTYQCAFSA-N 0 0 564.417 4.755 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408731000 1066568002 /nfs/dbraw/zinc/56/80/02/1066568002.db2.gz XOQODXPAZKGFCH-LYRGBEMXSA-N 0 0 564.417 4.755 40 30 KJEBRN COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(-c5ccc(I)cc5)o4)c(=O)n32)cc1 ZINC000408731227 1066567500 /nfs/dbraw/zinc/56/75/00/1066567500.db2.gz YYRDMQUPQWYVHK-AQIZGWBQSA-N 0 0 596.446 4.697 40 30 KJEBRN COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(-c5ccc(I)cc5)o4)c(=O)n32)cc1 ZINC000408731228 1066567966 /nfs/dbraw/zinc/56/79/66/1066567966.db2.gz YYRDMQUPQWYVHK-ZDGAQAAHSA-N 0 0 596.446 4.697 40 30 KJEBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3sc4c(c3C#N)CCC4)C(=O)[C@H]21 ZINC000408733101 1066566139 /nfs/dbraw/zinc/56/61/39/1066566139.db2.gz WDWKNROJOKZMGF-KZLKLZAKSA-N 0 0 550.592 4.667 40 30 KJEBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3sc4c(c3C#N)CCC4)C(=O)[C@@H]21 ZINC000408733102 1066566129 /nfs/dbraw/zinc/56/61/29/1066566129.db2.gz WDWKNROJOKZMGF-ODOWTIOMSA-N 0 0 550.592 4.667 40 30 KJEBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3sc4c(c3C#N)CCC4)C(=O)[C@@H]21 ZINC000408733103 1066566081 /nfs/dbraw/zinc/56/60/81/1066566081.db2.gz WDWKNROJOKZMGF-OSFWDLJISA-N 0 0 550.592 4.667 40 30 KJEBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3sc4c(c3C#N)CCC4)C(=O)[C@H]21 ZINC000408733104 1066566009 /nfs/dbraw/zinc/56/60/09/1066566009.db2.gz WDWKNROJOKZMGF-YSVWQDEISA-N 0 0 550.592 4.667 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408734795 1066564372 /nfs/dbraw/zinc/56/43/72/1066564372.db2.gz JXKSWEYONBWYGW-BIWBSIMWSA-N 0 0 657.583 4.932 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408734797 1066564677 /nfs/dbraw/zinc/56/46/77/1066564677.db2.gz JXKSWEYONBWYGW-ZGOFBEGVSA-N 0 0 657.583 4.932 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408734863 1066564755 /nfs/dbraw/zinc/56/47/55/1066564755.db2.gz KSEGNGFNUFCWKB-BIWBSIMWSA-N 0 0 627.557 4.923 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408734866 1066564643 /nfs/dbraw/zinc/56/46/43/1066564643.db2.gz KSEGNGFNUFCWKB-ZGOFBEGVSA-N 0 0 627.557 4.923 40 30 KJEBRN COc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc(I)c1OCc1ccccc1Cl ZINC000408734971 1066564192 /nfs/dbraw/zinc/56/41/92/1066564192.db2.gz HWLOLRNNLISZRK-KVSWJAHQSA-N 0 0 597.816 4.744 40 30 KJEBRN COc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408735338 1066564287 /nfs/dbraw/zinc/56/42/87/1066564287.db2.gz NIHNINBPZJHXQJ-KVSWJAHQSA-N 0 0 597.816 4.744 40 30 KJEBRN COc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408735526 1066564217 /nfs/dbraw/zinc/56/42/17/1066564217.db2.gz QWBDTOCUSIWOFF-KVSWJAHQSA-N 0 0 550.816 4.902 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408735530 1066564382 /nfs/dbraw/zinc/56/43/82/1066564382.db2.gz REHHTVFXUODGOL-MUFRIFMGSA-N 0 0 558.470 4.649 40 30 KJEBRN CCOc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408735912 1066563739 /nfs/dbraw/zinc/56/37/39/1066563739.db2.gz YFBNEPOKFXEJHJ-KKMKTNMSSA-N 0 0 653.365 4.510 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc(I)c1O ZINC000408738292 1066572835 /nfs/dbraw/zinc/57/28/35/1066572835.db2.gz JSOIJDMEVPPVEO-NVNXTCNLSA-N 0 0 500.745 4.859 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738505 1066572714 /nfs/dbraw/zinc/57/27/14/1066572714.db2.gz LBUWOCWCVKJJNJ-JLKMOJGBSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738506 1066572751 /nfs/dbraw/zinc/57/27/51/1066572751.db2.gz LBUWOCWCVKJJNJ-UNDLXJOSSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738783 1066572354 /nfs/dbraw/zinc/57/23/54/1066572354.db2.gz OJXQMMPVIVKLQF-DDIUQFJASA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738784 1066572319 /nfs/dbraw/zinc/57/23/19/1066572319.db2.gz OJXQMMPVIVKLQF-IMUCPKNRSA-N 0 0 609.704 4.656 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc(I)c1O ZINC000408739674 1066571448 /nfs/dbraw/zinc/57/14/48/1066571448.db2.gz ZBFBPGCPRMKHNT-CHHVJCJISA-N 0 0 500.745 4.859 40 30 KJEBRN CNc1c(I)cc(C=[NH+][N-]c2ccc3ccccc3n2)cc1I ZINC000408740269 1066576216 /nfs/dbraw/zinc/57/62/16/1066576216.db2.gz FFZSSEPTTWMVNT-UFFVCSGVSA-N 0 0 528.135 4.932 40 30 KJEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(I)cc(I)c3O)S2)cc1 ZINC000408740319 1066576178 /nfs/dbraw/zinc/57/61/78/1066576178.db2.gz FLUVDHHFPBPKAS-NVNXTCNLSA-N 0 0 592.196 4.892 40 30 KJEBRN COc1c(I)cc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc1[N+](=O)[O-] ZINC000408740322 1066576283 /nfs/dbraw/zinc/57/62/83/1066576283.db2.gz FLYKALVPMPCZGW-AUWJEWJLSA-N 0 0 560.167 4.862 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc(I)c1OC ZINC000408741181 1066575258 /nfs/dbraw/zinc/57/52/58/1066575258.db2.gz KLMHAHQZLHVCMC-NVNXTCNLSA-N 0 0 545.196 4.963 40 30 KJEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc(I)c3O)S2)cc1 ZINC000408743280 1066573753 /nfs/dbraw/zinc/57/37/53/1066573753.db2.gz VPGFHRYJRRGJIB-NVNXTCNLSA-N 0 0 500.745 4.941 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc(I)c1O ZINC000408748251 1066583701 /nfs/dbraw/zinc/58/37/01/1066583701.db2.gz AUQURTJQHKZTRZ-OVCLIPMQSA-N 0 0 500.745 4.941 40 30 KJEBRN COc1ccc(Br)cc1/C=C1/SC(=Nc2ccccc2I)NC1=O ZINC000408748316 1066583854 /nfs/dbraw/zinc/58/38/54/1066583854.db2.gz BSFJCVNFKZVNJV-OQLLNIDSSA-N 0 0 515.170 4.954 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccccc3I)NC2=O)cc(I)c1O ZINC000408748556 1066583310 /nfs/dbraw/zinc/58/33/10/1066583310.db2.gz FAKHRQDAGIYIHI-RIYZIHGNSA-N 0 0 578.169 4.502 40 30 KJEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408748569 1066583259 /nfs/dbraw/zinc/58/32/59/1066583259.db2.gz FHPPBKPRYCKXLZ-UDWIEESQSA-N 0 0 515.956 4.908 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1cccc(F)c1 ZINC000408748607 1066583819 /nfs/dbraw/zinc/58/38/19/1066583819.db2.gz BBXPQTSIZCOKJO-VROXFSQNSA-N 0 0 522.274 4.767 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)cc(I)c1O ZINC000408748680 1066583361 /nfs/dbraw/zinc/58/33/61/1066583361.db2.gz GJIQKQRJSYXYLA-OVCLIPMQSA-N 0 0 592.196 4.892 40 30 KJEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408748726 1066583351 /nfs/dbraw/zinc/58/33/51/1066583351.db2.gz GWQIEDUUMDNOTE-UDWIEESQSA-N 0 0 515.956 4.908 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408748780 1066583338 /nfs/dbraw/zinc/58/33/38/1066583338.db2.gz CDZWCPGDKKUQEH-LSFURLLWSA-N 0 0 580.251 4.658 40 30 KJEBRN O=C1NC(=Nc2cccc(I)c2)S/C1=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408748809 1066583220 /nfs/dbraw/zinc/58/32/20/1066583220.db2.gz HVKFSQSBMGYMET-UDWIEESQSA-N 0 0 607.407 4.859 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408748887 1066583190 /nfs/dbraw/zinc/58/31/90/1066583190.db2.gz COCDFZXRMLTHBA-OPVMPGTRSA-N 0 0 501.293 4.515 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408748988 1066583319 /nfs/dbraw/zinc/58/33/19/1066583319.db2.gz DFIFYOBRMUKZIG-RMORIDSASA-N 0 0 502.281 4.694 40 30 KJEBRN O=C1NC(=Nc2cccc(I)c2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408749057 1066583327 /nfs/dbraw/zinc/58/33/27/1066583327.db2.gz KSIRXPSUOUIWTD-UDWIEESQSA-N 0 0 607.407 4.859 40 30 KJEBRN COc1ccc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)c(Br)c1OC ZINC000408749073 1066583169 /nfs/dbraw/zinc/58/31/69/1066583169.db2.gz KYNAAFYUEVVSCC-RIYZIHGNSA-N 0 0 545.196 4.963 40 30 KJEBRN COc1ccc(/C=C2/SC(=Nc3ccccc3I)NC2=O)c(Br)c1OC ZINC000408749094 1066582754 /nfs/dbraw/zinc/58/27/54/1066582754.db2.gz LGSMYUPBYFFRAJ-NTEUORMPSA-N 0 0 545.196 4.963 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408749218 1066582838 /nfs/dbraw/zinc/58/28/38/1066582838.db2.gz LPIGQFSEVUCRFJ-CIAFOILYSA-N 0 0 545.982 4.916 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)cc(I)c1O ZINC000408749237 1066582886 /nfs/dbraw/zinc/58/28/86/1066582886.db2.gz LYTWXNHQUIKNFB-VGOFMYFVSA-N 0 0 578.169 4.502 40 30 KJEBRN O=C1NC(=Nc2cccc(I)c2)S/C1=C/c1cc(Br)ccc1O ZINC000408749298 1066582848 /nfs/dbraw/zinc/58/28/48/1066582848.db2.gz NKDWYHKOVODUGJ-VGOFMYFVSA-N 0 0 501.143 4.651 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)cc(Br)c1O ZINC000408749364 1066582735 /nfs/dbraw/zinc/58/27/35/1066582735.db2.gz NSCJIRLWPMQIOD-VGOFMYFVSA-N 0 0 531.169 4.660 40 30 KJEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)nc1 ZINC000408749412 1066197113 /nfs/dbraw/zinc/19/71/13/1066197113.db2.gz GPKODLBKOAFWSR-YVNNLAQVSA-N 0 0 519.255 4.528 40 30 KJEBRN O=[N+]([O-])c1ccc(N=NCc2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)nc1 ZINC000408749418 1066582715 /nfs/dbraw/zinc/58/27/15/1066582715.db2.gz GRZAPAQVVOIIEN-GYRAYZOKSA-N 0 0 644.163 4.953 40 30 KJEBRN O=C1NC(=Nc2cccc(I)c2)S/C1=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408749419 1066582821 /nfs/dbraw/zinc/58/28/21/1066582821.db2.gz OIYUUYHPUYHZHM-UDWIEESQSA-N 0 0 607.407 4.859 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408749485 1066582800 /nfs/dbraw/zinc/58/28/00/1066582800.db2.gz HIKKZSXHISKYPF-RMORIDSASA-N 0 0 549.281 4.536 40 30 KJEBRN COc1ccc(Br)cc1/C=C1/SC(=Nc2cccc(I)c2)NC1=O ZINC000408749512 1066582704 /nfs/dbraw/zinc/58/27/04/1066582704.db2.gz QALAUCUCEDKQKY-OVCLIPMQSA-N 0 0 515.170 4.954 40 30 KJEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408749657 1066582789 /nfs/dbraw/zinc/58/27/89/1066582789.db2.gz RVZIEJDDJZJZGD-UDWIEESQSA-N 0 0 515.956 4.908 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408749722 1066582278 /nfs/dbraw/zinc/58/22/78/1066582278.db2.gz SIUZBPJIUFJNBT-CIAFOILYSA-N 0 0 637.433 4.867 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(I)cc1 ZINC000408749861 1066582309 /nfs/dbraw/zinc/58/23/09/1066582309.db2.gz JQTAPKOFQSFWKC-KSEXSDGBSA-N 0 0 504.284 4.628 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccccc3I)NC2=O)cc(Br)c1O ZINC000408750012 1066582359 /nfs/dbraw/zinc/58/23/59/1066582359.db2.gz WELNGMIGMDGCSU-RIYZIHGNSA-N 0 0 531.169 4.660 40 30 KJEBRN O=C1NC(=Nc2ccccc2I)S/C1=C/c1cc(Br)ccc1O ZINC000408750054 1066582335 /nfs/dbraw/zinc/58/23/35/1066582335.db2.gz WUODPFZMGINGNK-RIYZIHGNSA-N 0 0 501.143 4.651 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408750088 1066582328 /nfs/dbraw/zinc/58/23/28/1066582328.db2.gz KJBLXBGKGNYRSB-AFPJDJCSSA-N 0 0 533.251 4.816 40 30 KJEBRN O=[N+]([O-])c1ccc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)cc2I)cc1 ZINC000408750145 1066581944 /nfs/dbraw/zinc/58/19/44/1066581944.db2.gz KWFMMUCSMFJLDX-YVNNLAQVSA-N 0 0 519.255 4.528 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc(I)c1O ZINC000408750237 1066582354 /nfs/dbraw/zinc/58/23/54/1066582354.db2.gz YLSAVJJUBIBGGX-RIYZIHGNSA-N 0 0 531.169 4.660 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccccc3I)NC2=O)cc(I)c1O ZINC000408750288 1066581830 /nfs/dbraw/zinc/58/18/30/1066581830.db2.gz ZHPTVEJAMYZKHU-OQLLNIDSSA-N 0 0 592.196 4.892 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408750338 1066581917 /nfs/dbraw/zinc/58/19/17/1066581917.db2.gz LQFQWTOREHTFEU-RMORIDSASA-N 0 0 502.281 4.694 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1ccc(C)cc1 ZINC000408750550 1066581903 /nfs/dbraw/zinc/58/19/03/1066581903.db2.gz ORFZFIPWIOKBHF-MYKKPKGFSA-N 0 0 518.311 4.936 40 30 KJEBRN C[NH2+]Cc1cc(C)nc(Sc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)[O-])cc3s2)c1C#N ZINC000408750673 1066581774 /nfs/dbraw/zinc/58/17/74/1066581774.db2.gz QDMPBSNCUSVEFL-UHFFFAOYSA-N 0 0 534.579 4.601 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408750781 1066581980 /nfs/dbraw/zinc/58/19/80/1066581980.db2.gz RPEDBONWVOFQSU-RMORIDSASA-N 0 0 502.281 4.694 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408750806 1066581810 /nfs/dbraw/zinc/58/18/10/1066581810.db2.gz RXOJABVDULTOBT-RMORIDSASA-N 0 0 502.281 4.694 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCc1ccc2c(c1)OCO2 ZINC000408750898 1066581822 /nfs/dbraw/zinc/58/18/22/1066581822.db2.gz TVTLBMPLVCOGLA-OPVMPGTRSA-N 0 0 501.293 4.515 40 30 KJEBRN C[NH2+]Cc1cc(C)nc(Sc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)[O-])cc3s2)c1C#N ZINC000408751077 1066581953 /nfs/dbraw/zinc/58/19/53/1066581953.db2.gz WEOYICLZKVECHT-UHFFFAOYSA-N 0 0 534.579 4.601 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1ccccc1F ZINC000408751090 1066581868 /nfs/dbraw/zinc/58/18/68/1066581868.db2.gz WIAXLQNNZHCBCA-VROXFSQNSA-N 0 0 522.274 4.767 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408751151 1066582033 /nfs/dbraw/zinc/58/20/33/1066582033.db2.gz XAULEGSMPMIRQJ-RMORIDSASA-N 0 0 549.281 4.536 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1ccccc1 ZINC000408751163 1066582009 /nfs/dbraw/zinc/58/20/09/1066582009.db2.gz XFJZKRYMPGICDR-KSEXSDGBSA-N 0 0 504.284 4.628 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1cccc(C)c1 ZINC000408751222 1066581937 /nfs/dbraw/zinc/58/19/37/1066581937.db2.gz XWJGILYOEREREQ-MYKKPKGFSA-N 0 0 518.311 4.936 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1ccc(F)cc1 ZINC000408751225 1066582022 /nfs/dbraw/zinc/58/20/22/1066582022.db2.gz XXDOXIAWIOSOID-VROXFSQNSA-N 0 0 522.274 4.767 40 30 KJEBRN Cc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408751617 1066581280 /nfs/dbraw/zinc/58/12/80/1066581280.db2.gz AMOUDUCZZRKIFH-JFLMPSFJSA-N 0 0 505.556 4.810 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)cc1 ZINC000408751690 1066581352 /nfs/dbraw/zinc/58/13/52/1066581352.db2.gz ABISEINWGZPXDS-HYARGMPZSA-N 0 0 509.565 4.871 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408751698 1066581365 /nfs/dbraw/zinc/58/13/65/1066581365.db2.gz ACLXUWDDVVMMAH-SRZZPIQSSA-N 0 0 590.979 4.824 40 30 KJEBRN O=C1NC(=Nc2ccccc2I)S/C1=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408751711 1066581478 /nfs/dbraw/zinc/58/14/78/1066581478.db2.gz ALJPVWNQWLNDIN-DEDYPNTBSA-N 0 0 607.407 4.859 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408751740 1066581449 /nfs/dbraw/zinc/58/14/49/1066581449.db2.gz AZBULNBVGUOUFL-RGVLZGJSSA-N 0 0 560.953 4.816 40 30 KJEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408751753 1066581429 /nfs/dbraw/zinc/58/14/29/1066581429.db2.gz BECVYPIKLMHYGS-RGVLZGJSSA-N 0 0 560.953 4.816 40 30 KJEBRN O=C1NC(=Nc2ccc(I)cc2)S/C1=C/c1cc(Br)ccc1O ZINC000408751755 1066581251 /nfs/dbraw/zinc/58/12/51/1066581251.db2.gz BGAQMIKNKZCLQU-RIYZIHGNSA-N 0 0 501.143 4.651 40 30 KJEBRN O=C1NC(=Nc2ccc(I)cc2)S/C1=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408751791 1066581455 /nfs/dbraw/zinc/58/14/55/1066581455.db2.gz BSNWLCPRPCUQBE-DEDYPNTBSA-N 0 0 607.407 4.859 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc(I)c1O ZINC000408751849 1066581291 /nfs/dbraw/zinc/58/12/91/1066581291.db2.gz CZAJUYWUADKYLN-VIZOYTHASA-N 0 0 545.742 4.849 40 30 KJEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Br)S/C1=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408751996 1066581239 /nfs/dbraw/zinc/58/12/39/1066581239.db2.gz DOLKHMSKHRMHLI-RGVLZGJSSA-N 0 0 605.404 4.925 40 30 KJEBRN COC(=O)COc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1OC ZINC000408752037 1066580946 /nfs/dbraw/zinc/58/09/46/1066580946.db2.gz FMKPUTYJPLJQDQ-ZDLGFXPLSA-N 0 0 505.390 4.518 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Br)NC2=O)cc(Br)c1O ZINC000408752077 1066580672 /nfs/dbraw/zinc/58/06/72/1066580672.db2.gz FHMXKFMNTQTXCA-MKMNVTDBSA-N 0 0 529.166 4.726 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408752091 1066580900 /nfs/dbraw/zinc/58/09/00/1066580900.db2.gz FJOWCHICEJZMTO-DEDYPNTBSA-N 0 0 515.956 4.908 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408752112 1066580821 /nfs/dbraw/zinc/58/08/21/1066580821.db2.gz FPPHIODIFQCZDE-DEDYPNTBSA-N 0 0 515.956 4.908 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)cc(Br)c1O ZINC000408752118 1066580800 /nfs/dbraw/zinc/58/08/00/1066580800.db2.gz FREFUDWSPLRNLN-RIYZIHGNSA-N 0 0 531.169 4.660 40 30 KJEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Br)S/C1=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408752159 1066580931 /nfs/dbraw/zinc/58/09/31/1066580931.db2.gz GJSGWJYBTUCILP-RGVLZGJSSA-N 0 0 605.404 4.925 40 30 KJEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408752172 1066580887 /nfs/dbraw/zinc/58/08/87/1066580887.db2.gz GPFLNYPZQRNBDI-RGVLZGJSSA-N 0 0 560.953 4.816 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Br)NC2=O)cc(I)c1O ZINC000408752179 1066580737 /nfs/dbraw/zinc/58/07/37/1066580737.db2.gz GUEHKWNYAHHHAX-MKMNVTDBSA-N 0 0 576.166 4.568 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Br)NC2=O)cc(I)c1O ZINC000408752503 1066580256 /nfs/dbraw/zinc/58/02/56/1066580256.db2.gz JARZQWYEKRMVDL-VIZOYTHASA-N 0 0 590.193 4.958 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)cc(I)c1O ZINC000408752507 1066580373 /nfs/dbraw/zinc/58/03/73/1066580373.db2.gz JAZSJAPYNYYZJM-RIYZIHGNSA-N 0 0 578.169 4.502 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408752531 1066580291 /nfs/dbraw/zinc/58/02/91/1066580291.db2.gz BJHOYFPYSOOIQA-WSDLNYQXSA-N 0 0 535.332 4.788 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408752731 1066580352 /nfs/dbraw/zinc/58/03/52/1066580352.db2.gz GJKGTYJURVUGKI-NDENLUEZSA-N 0 0 515.956 4.908 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408752757 1066579621 /nfs/dbraw/zinc/57/96/21/1066579621.db2.gz GPTBPIQGSFYSMR-HMAPJEAMSA-N 0 0 525.564 4.571 40 30 KJEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Br)S/C1=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408752812 1066579759 /nfs/dbraw/zinc/57/97/59/1066579759.db2.gz KCGOGOPZPPAHSY-RGVLZGJSSA-N 0 0 605.404 4.925 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/SC(=Nc4ccc([N+](=O)[O-])cc4C)NC3=O)c2)cc1 ZINC000408752826 1066580193 /nfs/dbraw/zinc/58/01/93/1066580193.db2.gz KLOQFXILLBGTAJ-HYARGMPZSA-N 0 0 509.565 4.871 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)cc1I ZINC000408752866 1066580270 /nfs/dbraw/zinc/58/02/70/1066580270.db2.gz LBMUZYYZGOQUNL-JAORQVBISA-N 0 0 732.765 4.836 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)cc1I ZINC000408752868 1066580364 /nfs/dbraw/zinc/58/03/64/1066580364.db2.gz LBMUZYYZGOQUNL-JCAJYURWSA-N 0 0 732.765 4.836 40 30 KJEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408752882 1066580309 /nfs/dbraw/zinc/58/03/09/1066580309.db2.gz LKXZJVZPTKQEQY-RGVLZGJSSA-N 0 0 560.953 4.816 40 30 KJEBRN O=C1NC(=Nc2ccccc2I)S/C1=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408752976 1066579831 /nfs/dbraw/zinc/57/98/31/1066579831.db2.gz MSGRNDZGINSCQG-DEDYPNTBSA-N 0 0 607.407 4.859 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408752977 1066579660 /nfs/dbraw/zinc/57/96/60/1066579660.db2.gz KIMPYTGVMHPUJP-NDENLUEZSA-N 0 0 515.956 4.908 40 30 KJEBRN O=C1NC(=Nc2ccccc2I)S/C1=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408752982 1066579748 /nfs/dbraw/zinc/57/97/48/1066579748.db2.gz MTVPXWKIUULBMZ-DEDYPNTBSA-N 0 0 607.407 4.859 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408752999 1066579653 /nfs/dbraw/zinc/57/96/53/1066579653.db2.gz NBWXMWHAYJZQMV-FYJGNVAPSA-N 0 0 637.433 4.867 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)cc(I)c1O ZINC000408753333 1066579201 /nfs/dbraw/zinc/57/92/01/1066579201.db2.gz NXSAEKAYFAPBDV-OQLLNIDSSA-N 0 0 592.196 4.892 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Br)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408753345 1066579395 /nfs/dbraw/zinc/57/93/95/1066579395.db2.gz OAUHEHAWPZVVIV-SRZZPIQSSA-N 0 0 635.430 4.933 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408753349 1066579259 /nfs/dbraw/zinc/57/92/59/1066579259.db2.gz OAXVWSLXZOKQNN-DEDYPNTBSA-N 0 0 515.956 4.908 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc(I)c1O ZINC000408753368 1066579772 /nfs/dbraw/zinc/57/97/72/1066579772.db2.gz OODBXPHYVVAGAW-OQLLNIDSSA-N 0 0 500.745 4.941 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408753390 1066579610 /nfs/dbraw/zinc/57/96/10/1066579610.db2.gz PAUAKUVQUXKCHS-FYJGNVAPSA-N 0 0 545.982 4.916 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)cc(I)c1O ZINC000408753428 1066579704 /nfs/dbraw/zinc/57/97/04/1066579704.db2.gz PQAZWZZREBXYOE-CXUHLZMHSA-N 0 0 525.324 4.504 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408753607 1066579069 /nfs/dbraw/zinc/57/90/69/1066579069.db2.gz GUUSEDFQVSPJMA-UNOMPAQXSA-N 0 0 519.417 4.854 40 30 KJEBRN COc1ccc(Br)cc1/C=C1/SC(=Nc2ccc(I)cc2)NC1=O ZINC000408753780 1066578580 /nfs/dbraw/zinc/57/85/80/1066578580.db2.gz QBLWKEUBVTUCCK-OQLLNIDSSA-N 0 0 515.170 4.954 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408753791 1066578762 /nfs/dbraw/zinc/57/87/62/1066578762.db2.gz QIELNAFXJHUHTB-OEAKJJBVSA-N 0 0 539.591 4.880 40 30 KJEBRN O=C1NC(=Nc2ccc(I)cc2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408753809 1066579302 /nfs/dbraw/zinc/57/93/02/1066579302.db2.gz QKVPAYKSIXGLLM-DEDYPNTBSA-N 0 0 607.407 4.859 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408753830 1066579107 /nfs/dbraw/zinc/57/91/07/1066579107.db2.gz QUYWKZPCWQKDRE-OEAKJJBVSA-N 0 0 584.588 4.869 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408753833 1066579215 /nfs/dbraw/zinc/57/92/15/1066579215.db2.gz OFLOXAPPNOKEJH-UCQKPKSFSA-N 0 0 555.590 4.661 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408753856 1066579355 /nfs/dbraw/zinc/57/93/55/1066579355.db2.gz QZZCTERUIPXZPI-RGVLZGJSSA-N 0 0 560.953 4.816 40 30 KJEBRN O=C1NC(=Nc2ccc(I)cc2)S/C1=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408753914 1066578796 /nfs/dbraw/zinc/57/87/96/1066578796.db2.gz RRTBCWNDGZODAW-DEDYPNTBSA-N 0 0 607.407 4.859 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408753915 1066578612 /nfs/dbraw/zinc/57/86/12/1066578612.db2.gz CKVADHIERMSPEF-HAHDFKILSA-N 0 0 539.591 4.961 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408754052 1066578717 /nfs/dbraw/zinc/57/87/17/1066578717.db2.gz IHEPYVQCCVVKHF-UCQKPKSFSA-N 0 0 539.591 4.961 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc(I)c1O ZINC000408754430 1066578729 /nfs/dbraw/zinc/57/87/29/1066578729.db2.gz UHXJBLMRTKYRMI-VIZOYTHASA-N 0 0 545.742 4.849 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc(I)c1O ZINC000408754537 1066578201 /nfs/dbraw/zinc/57/82/01/1066578201.db2.gz WCZCFMPLLKOEFP-RIYZIHGNSA-N 0 0 531.169 4.660 40 30 KJEBRN COc1ccc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)c(Br)c1OC ZINC000408754636 1066578342 /nfs/dbraw/zinc/57/83/42/1066578342.db2.gz WUKQXYSSTKLKIP-NTEUORMPSA-N 0 0 545.196 4.963 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccccc3I)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408754959 1066578323 /nfs/dbraw/zinc/57/83/23/1066578323.db2.gz XKIFFGJNYOUPLS-FYJGNVAPSA-N 0 0 637.433 4.867 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408755036 1066578242 /nfs/dbraw/zinc/57/82/42/1066578242.db2.gz MEYKGYSTRIWUBT-FSJBWODESA-N 0 0 612.358 4.638 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408755081 1066577879 /nfs/dbraw/zinc/57/78/79/1066577879.db2.gz YHIKNRGFWITHGG-RGVLZGJSSA-N 0 0 560.953 4.816 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408755203 1066577767 /nfs/dbraw/zinc/57/77/67/1066577767.db2.gz ZKQUYQWKLUUYNH-SRZZPIQSSA-N 0 0 590.979 4.824 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=Nc4ccc([N+](=O)[O-])cc4C)NC3=O)cc2)cc1 ZINC000408755251 1066577629 /nfs/dbraw/zinc/57/76/29/1066577629.db2.gz ZZZSNABXSQYVDS-HYARGMPZSA-N 0 0 509.565 4.871 40 30 KJEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)S2)cc1 ZINC000408755591 1066577740 /nfs/dbraw/zinc/57/77/40/1066577740.db2.gz OSDRAWYXESMYQI-YBEGLDIGSA-N 0 0 509.325 4.662 40 30 KJEBRN O=C(COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000408755687 1066577884 /nfs/dbraw/zinc/57/78/84/1066577884.db2.gz LRBRPHMRTUOHJO-FSJBWODESA-N 0 0 514.292 4.729 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408755967 1066577309 /nfs/dbraw/zinc/57/73/09/1066577309.db2.gz SPKWCZXVEWUGAA-MFKUBSTISA-N 0 0 567.483 4.545 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1 ZINC000408756307 1066577220 /nfs/dbraw/zinc/57/72/20/1066577220.db2.gz YTGRCTJUIJNYJI-MFKUBSTISA-N 0 0 550.418 4.890 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408756337 1066577414 /nfs/dbraw/zinc/57/74/14/1066577414.db2.gz QGFGNRIIOFJZSV-HRLSHZPLSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408756342 1066577197 /nfs/dbraw/zinc/57/71/97/1066577197.db2.gz QGFGNRIIOFJZSV-RWDZFFNTSA-N 0 0 552.652 4.509 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(I)c1OC(C)=O ZINC000408756345 1066577303 /nfs/dbraw/zinc/57/73/03/1066577303.db2.gz QJJXYZVBVSZYNI-SXGWCWSVSA-N 0 0 528.755 4.770 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408756489 1066576816 /nfs/dbraw/zinc/57/68/16/1066576816.db2.gz VPQFEPXJJZMYNQ-XKZIYDEJSA-N 0 0 525.564 4.571 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC(=O)OC ZINC000408756671 1066576952 /nfs/dbraw/zinc/57/69/52/1066576952.db2.gz TZGHVGVGYPUHBW-UNOMPAQXSA-N 0 0 519.417 4.854 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408756890 1066576927 /nfs/dbraw/zinc/57/69/27/1066576927.db2.gz UQFWOUUGHNGNDC-OQTDNQPYSA-N 0 0 522.626 4.500 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408756894 1066576915 /nfs/dbraw/zinc/57/69/15/1066576915.db2.gz UQFWOUUGHNGNDC-SOEBIRPASA-N 0 0 522.626 4.500 40 30 KJEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)OC)c(I)c3)S2)cc1 ZINC000408757036 1066576907 /nfs/dbraw/zinc/57/69/07/1066576907.db2.gz ZGDVQDODSFIFNW-YVLHZVERSA-N 0 0 648.260 4.902 40 30 KJEBRN CCOc1cc(/C=N/NC(N)=S)cc(I)c1OCc1cccc2ccccc21 ZINC000408757064 1066576955 /nfs/dbraw/zinc/57/69/55/1066576955.db2.gz ZLGSPCWRDUJZHD-WYMPLXKRSA-N 0 0 505.381 4.589 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408757198 1066576827 /nfs/dbraw/zinc/57/68/27/1066576827.db2.gz VVJPEUXCWLDVOU-JCMHNJIXSA-N 0 0 525.564 4.653 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408758334 1066585264 /nfs/dbraw/zinc/58/52/64/1066585264.db2.gz JAIPGXGKFHILJR-CLNXTWJPSA-N 0 0 582.678 4.518 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408758336 1066585389 /nfs/dbraw/zinc/58/53/89/1066585389.db2.gz JAIPGXGKFHILJR-ZHGFHMGHSA-N 0 0 582.678 4.518 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)S2)cc1 ZINC000408758614 1066584892 /nfs/dbraw/zinc/58/48/92/1066584892.db2.gz NUSSTTSYFQSLQH-HAHDFKILSA-N 0 0 510.593 4.672 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000408759101 1066584895 /nfs/dbraw/zinc/58/48/95/1066584895.db2.gz XUWVARRQUFZGBF-NDENLUEZSA-N 0 0 515.956 4.908 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(I)c1OC(C)=O ZINC000408759330 1066584887 /nfs/dbraw/zinc/58/48/87/1066584887.db2.gz CHGXMPHYSHDCDC-BOPFTXTBSA-N 0 0 508.337 4.507 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408759770 1066584290 /nfs/dbraw/zinc/58/42/90/1066584290.db2.gz LFKXYYYDZHEQGK-KUSDHMTMSA-N 0 0 612.704 4.526 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408759771 1066584146 /nfs/dbraw/zinc/58/41/46/1066584146.db2.gz LFKXYYYDZHEQGK-POKSHJSXSA-N 0 0 612.704 4.526 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1OC ZINC000408759874 1066584118 /nfs/dbraw/zinc/58/41/18/1066584118.db2.gz NHPCFJVMNMCYLD-ODLFYWEKSA-N 0 0 519.417 4.908 40 30 KJEBRN CCOc1c(I)cc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000408760623 1066583713 /nfs/dbraw/zinc/58/37/13/1066583713.db2.gz BXJYUDSBOMXGCU-BOPFTXTBSA-N 0 0 510.353 4.599 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCC(=O)OC ZINC000408761240 1066589697 /nfs/dbraw/zinc/58/96/97/1066589697.db2.gz DFQYGFCXUOXWHJ-JAIQZWGSSA-N 0 0 519.417 4.854 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408761489 1066589714 /nfs/dbraw/zinc/58/97/14/1066589714.db2.gz FBNJTAQTXQAHNP-UYRXBGFRSA-N 0 0 518.376 4.766 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2Br)cc1 ZINC000408761782 1066589145 /nfs/dbraw/zinc/58/91/45/1066589145.db2.gz HOEYQHRALMHRBP-WSDLNYQXSA-N 0 0 535.332 4.788 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408762230 1066588504 /nfs/dbraw/zinc/58/85/04/1066588504.db2.gz JUEMMWYPUKSZAO-JAIQZWGSSA-N 0 0 519.417 4.854 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408762291 1066589087 /nfs/dbraw/zinc/58/90/87/1066589087.db2.gz NYNMIBTYNINPNZ-FSJBWODESA-N 0 0 610.355 4.786 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408762325 1066589294 /nfs/dbraw/zinc/58/92/94/1066589294.db2.gz KAQMPHVJKZMQQC-FSJBWODESA-N 0 0 610.355 4.786 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(I)c1OC(C)=O ZINC000408762607 1066588421 /nfs/dbraw/zinc/58/84/21/1066588421.db2.gz PQGKKWULCODTMM-WQRHYEAKSA-N 0 0 522.364 4.815 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408762822 1066588631 /nfs/dbraw/zinc/58/86/31/1066588631.db2.gz LJVQZAISEPXOAD-FSJBWODESA-N 0 0 565.358 4.796 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408762850 1066588571 /nfs/dbraw/zinc/58/85/71/1066588571.db2.gz LLNNEBLXIOIOQY-HMAPJEAMSA-N 0 0 525.564 4.653 40 30 KJEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC#N)c(OC)c3)S2)cc1 ZINC000408762995 1066588605 /nfs/dbraw/zinc/58/86/05/1066588605.db2.gz DEAYARHGPZAKII-PDGQHHTCSA-N 0 0 519.364 4.656 40 30 KJEBRN O=C(COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Nc1ccc(I)cc1 ZINC000408763290 1066587900 /nfs/dbraw/zinc/58/79/00/1066587900.db2.gz MNYNRNHVAFHJNX-FSJBWODESA-N 0 0 561.292 4.571 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)ccc1OCC(=O)OC ZINC000408763307 1066587800 /nfs/dbraw/zinc/58/78/00/1066587800.db2.gz MPSCDWRBDMQFLS-ODLFYWEKSA-N 0 0 519.417 4.908 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc(I)c1OC(C)=O ZINC000408763548 1066587997 /nfs/dbraw/zinc/58/79/97/1066587997.db2.gz PPGHHHHIVVMWFH-SXGWCWSVSA-N 0 0 573.206 4.879 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408763578 1066587972 /nfs/dbraw/zinc/58/79/72/1066587972.db2.gz PVAJMLKSLWNHOX-UNOMPAQXSA-N 0 0 566.417 4.696 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCC(=O)OC ZINC000408763728 1066588027 /nfs/dbraw/zinc/58/80/27/1066588027.db2.gz UMACIDJUJWJUIV-UNOMPAQXSA-N 0 0 566.417 4.696 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1 ZINC000408763840 1066198566 /nfs/dbraw/zinc/19/85/66/1066198566.db2.gz PEOOBVJVPVAFLW-ZMOGYAJESA-N 0 0 602.326 4.909 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408763932 1066587836 /nfs/dbraw/zinc/58/78/36/1066587836.db2.gz GNINLZZYLQPUNC-CLNXTWJPSA-N 0 0 582.678 4.518 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408763933 1066588041 /nfs/dbraw/zinc/58/80/41/1066588041.db2.gz GNINLZZYLQPUNC-ZHGFHMGHSA-N 0 0 582.678 4.518 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408763964 1066587863 /nfs/dbraw/zinc/58/78/63/1066587863.db2.gz HHSFDRXAWNPTRE-HRLSHZPLSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408763965 1066588016 /nfs/dbraw/zinc/58/80/16/1066588016.db2.gz HHSFDRXAWNPTRE-RWDZFFNTSA-N 0 0 552.652 4.509 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408764052 1066587873 /nfs/dbraw/zinc/58/78/73/1066587873.db2.gz RJNCRLBONXSGTG-MTJSOVHGSA-N 0 0 545.982 4.916 40 30 KJEBRN Cc1cc(N=C2NC(=O)/C(=C/c3cc(I)c(O)cc3O)S2)cc(C)c1Br ZINC000408764658 1066587574 /nfs/dbraw/zinc/58/75/74/1066587574.db2.gz MUKARMYFMYOPDL-UUASQNMZSA-N 0 0 545.196 4.973 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408765083 1066586861 /nfs/dbraw/zinc/58/68/61/1066586861.db2.gz BJBNNSLSUMGXOX-UTWPHBJQSA-N 0 0 678.399 4.905 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408765093 1066587380 /nfs/dbraw/zinc/58/73/80/1066587380.db2.gz BJBNNSLSUMGXOX-VPVLBGOXSA-N 0 0 678.399 4.905 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408765435 1066587007 /nfs/dbraw/zinc/58/70/07/1066587007.db2.gz POZITEFMKQXEGF-HAHDFKILSA-N 0 0 555.590 4.661 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000408765983 1066586894 /nfs/dbraw/zinc/58/68/94/1066586894.db2.gz CHHAPMGYKDOFQP-UPWSPCOFSA-N 0 0 564.692 4.734 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000408765984 1066586881 /nfs/dbraw/zinc/58/68/81/1066586881.db2.gz CHHAPMGYKDOFQP-ZJTZAHLKSA-N 0 0 564.692 4.734 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1I ZINC000408766136 1066586332 /nfs/dbraw/zinc/58/63/32/1066586332.db2.gz ZQYKCISIKASDRS-UNOMPAQXSA-N 0 0 536.391 4.687 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408766254 1066586543 /nfs/dbraw/zinc/58/65/43/1066586543.db2.gz SWBYXOOZAUTAJC-PVPFEYIBSA-N 0 0 582.678 4.518 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408766256 1066586354 /nfs/dbraw/zinc/58/63/54/1066586354.db2.gz SWBYXOOZAUTAJC-WYQLEPPDSA-N 0 0 582.678 4.518 40 30 KJEBRN C=CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408766531 1066586502 /nfs/dbraw/zinc/58/65/02/1066586502.db2.gz CQQSDJUITKDAHE-UTWPHBJQSA-N 0 0 633.948 4.796 40 30 KJEBRN C=CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408766532 1066586440 /nfs/dbraw/zinc/58/64/40/1066586440.db2.gz CQQSDJUITKDAHE-VPVLBGOXSA-N 0 0 633.948 4.796 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408766712 1066586384 /nfs/dbraw/zinc/58/63/84/1066586384.db2.gz DMBQLZBIRVJZCC-QZMHYXCESA-N 0 0 849.279 4.799 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408766714 1066586533 /nfs/dbraw/zinc/58/65/33/1066586533.db2.gz DMBQLZBIRVJZCC-XFBBMMLJSA-N 0 0 849.279 4.799 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)cc(I)c1OC(C)=O ZINC000408766839 1066585734 /nfs/dbraw/zinc/58/57/34/1066585734.db2.gz SRWCWWXJWMHUNY-WQRHYEAKSA-N 0 0 538.363 4.515 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408767176 1066585809 /nfs/dbraw/zinc/58/58/09/1066585809.db2.gz DVCIOQNXNKPNDG-QARYAGPDSA-N 0 0 606.125 4.972 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408767178 1066585799 /nfs/dbraw/zinc/58/57/99/1066585799.db2.gz DVCIOQNXNKPNDG-ZSJKCPIUSA-N 0 0 606.125 4.972 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408767218 1066585762 /nfs/dbraw/zinc/58/57/62/1066585762.db2.gz DZACWIWFTWXYSK-UTWPHBJQSA-N 0 0 755.425 4.756 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408767220 1066585771 /nfs/dbraw/zinc/58/57/71/1066585771.db2.gz DZACWIWFTWXYSK-VPVLBGOXSA-N 0 0 755.425 4.756 40 30 KJEBRN O=C(COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Nc1ccccc1I ZINC000408767287 1066589529 /nfs/dbraw/zinc/58/95/29/1066589529.db2.gz YXNGIIXKCCYOKN-FSJBWODESA-N 0 0 561.292 4.571 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)cc(I)c1OCC ZINC000408767413 1066597743 /nfs/dbraw/zinc/59/77/43/1066597743.db2.gz XGRKORFWOXBLKR-PDGQHHTCSA-N 0 0 524.380 4.989 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408767703 1066597302 /nfs/dbraw/zinc/59/73/02/1066597302.db2.gz GJBVUHVJXHIGSE-FUFNRSNVSA-N 0 0 585.707 4.709 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408767704 1066597423 /nfs/dbraw/zinc/59/74/23/1066597423.db2.gz GJBVUHVJXHIGSE-PRLWALMFSA-N 0 0 585.707 4.709 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408767755 1066597331 /nfs/dbraw/zinc/59/73/31/1066597331.db2.gz GVIFTLKIGDDVIG-UTWPHBJQSA-N 0 0 708.425 4.914 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408767756 1066597435 /nfs/dbraw/zinc/59/74/35/1066597435.db2.gz GVIFTLKIGDDVIG-VPVLBGOXSA-N 0 0 708.425 4.914 40 30 KJEBRN C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC(=O)OC ZINC000408767977 1066596938 /nfs/dbraw/zinc/59/69/38/1066596938.db2.gz BASFWIJNVVMGRR-BKVHRCCISA-N 0 0 517.445 4.891 40 30 KJEBRN C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC(=O)OC ZINC000408767981 1066596739 /nfs/dbraw/zinc/59/67/39/1066596739.db2.gz BASFWIJNVVMGRR-VGTKIRILSA-N 0 0 517.445 4.891 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408768798 1066227957 /nfs/dbraw/zinc/22/79/57/1066227957.db2.gz KKHPKAUTXROWDQ-QZMHYXCESA-N 0 0 802.279 4.957 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408768799 1066595841 /nfs/dbraw/zinc/59/58/41/1066595841.db2.gz KKHPKAUTXROWDQ-XFBBMMLJSA-N 0 0 802.279 4.957 40 30 KJEBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OCC#N)c(I)c3)S2)cc1 ZINC000408769167 1066595301 /nfs/dbraw/zinc/59/53/01/1066595301.db2.gz PJOJGYLRVOZDPJ-OWMRDYPQSA-N 0 0 617.250 4.960 40 30 KJEBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OCC#N)c(I)c3)S2)cc1 ZINC000408769168 1066228036 /nfs/dbraw/zinc/22/80/36/1066228036.db2.gz PJOJGYLRVOZDPJ-ZZODWALSSA-N 0 0 617.250 4.960 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408769184 1066595258 /nfs/dbraw/zinc/59/52/58/1066595258.db2.gz LQOJEBQEPKELFL-QARYAGPDSA-N 0 0 606.125 4.972 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408769185 1066595911 /nfs/dbraw/zinc/59/59/11/1066595911.db2.gz LQOJEBQEPKELFL-ZSJKCPIUSA-N 0 0 606.125 4.972 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408769281 1066595338 /nfs/dbraw/zinc/59/53/38/1066595338.db2.gz MKGJYCLARWNOKZ-UTWPHBJQSA-N 0 0 663.974 4.805 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408769282 1066595421 /nfs/dbraw/zinc/59/54/21/1066595421.db2.gz MKGJYCLARWNOKZ-VPVLBGOXSA-N 0 0 663.974 4.805 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408769795 1066594649 /nfs/dbraw/zinc/59/46/49/1066594649.db2.gz PAHPVXHBXPOPIL-IYVASWNSSA-N 0 0 643.556 4.542 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408769796 1066594728 /nfs/dbraw/zinc/59/47/28/1066594728.db2.gz PAHPVXHBXPOPIL-ORVZPOCUSA-N 0 0 643.556 4.542 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408769799 1066594817 /nfs/dbraw/zinc/59/48/17/1066594817.db2.gz PBEAWSKVBVQHAC-QJWUKVPRSA-N 0 0 849.279 4.799 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408769800 1066594760 /nfs/dbraw/zinc/59/47/60/1066594760.db2.gz PBEAWSKVBVQHAC-ZYDFGXJWSA-N 0 0 849.279 4.799 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1cccs1 ZINC000408769887 1066594365 /nfs/dbraw/zinc/59/43/65/1066594365.db2.gz QHBUTTCBUBURJE-QARYAGPDSA-N 0 0 576.099 4.964 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1cccs1 ZINC000408769888 1066594346 /nfs/dbraw/zinc/59/43/46/1066594346.db2.gz QHBUTTCBUBURJE-ZSJKCPIUSA-N 0 0 576.099 4.964 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408769893 1066594372 /nfs/dbraw/zinc/59/43/72/1066594372.db2.gz QHUAWTIOXKQXIT-QARYAGPDSA-N 0 0 697.576 4.924 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408769894 1066594369 /nfs/dbraw/zinc/59/43/69/1066594369.db2.gz QHUAWTIOXKQXIT-ZSJKCPIUSA-N 0 0 697.576 4.924 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC#N)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769905 1066594356 /nfs/dbraw/zinc/59/43/56/1066594356.db2.gz QLDRJTBDSVFVBV-NLHNCRNBSA-N 0 0 803.267 4.847 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769906 1066594337 /nfs/dbraw/zinc/59/43/37/1066594337.db2.gz QLDRJTBDSVFVBV-PTEDIONKSA-N 0 0 803.267 4.847 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000408770065 1066590166 /nfs/dbraw/zinc/59/01/66/1066590166.db2.gz SHEWOIITAXCPGT-QARYAGPDSA-N 0 0 576.099 4.964 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000408770066 1066590231 /nfs/dbraw/zinc/59/02/31/1066590231.db2.gz SHEWOIITAXCPGT-ZSJKCPIUSA-N 0 0 576.099 4.964 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770069 1066228074 /nfs/dbraw/zinc/22/80/74/1066228074.db2.gz SIPMAIWMIGEOJS-NLHNCRNBSA-N 0 0 850.267 4.690 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770070 1066590080 /nfs/dbraw/zinc/59/00/80/1066590080.db2.gz SIPMAIWMIGEOJS-PTEDIONKSA-N 0 0 850.267 4.690 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N=2 ZINC000408770196 1066228442 /nfs/dbraw/zinc/22/84/42/1066228442.db2.gz UOKVCUXTMNABET-OLROSQPISA-N 0 0 718.376 4.634 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N=2 ZINC000408770197 1066594052 /nfs/dbraw/zinc/59/40/52/1066594052.db2.gz UOKVCUXTMNABET-ZMUHTPIZSA-N 0 0 718.376 4.634 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC#N)c(I)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770253 1066594395 /nfs/dbraw/zinc/59/43/95/1066594395.db2.gz VGODQVJLNRIWEW-WNOXZJQASA-N 0 0 850.267 4.690 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC#N)c(I)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770254 1066594411 /nfs/dbraw/zinc/59/44/11/1066594411.db2.gz VGODQVJLNRIWEW-YVLHRROSSA-N 0 0 850.267 4.690 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N=2 ZINC000408770375 1066593998 /nfs/dbraw/zinc/59/39/98/1066593998.db2.gz WUHLRPIYFLXKTP-OLROSQPISA-N 0 0 671.376 4.792 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N=2 ZINC000408770376 1066593943 /nfs/dbraw/zinc/59/39/43/1066593943.db2.gz WUHLRPIYFLXKTP-ZMUHTPIZSA-N 0 0 671.376 4.792 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408770550 1066589513 /nfs/dbraw/zinc/58/95/13/1066589513.db2.gz YVEKCFPTGPCOAV-FUFNRSNVSA-N 0 0 585.707 4.709 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408770551 1066589706 /nfs/dbraw/zinc/58/97/06/1066589706.db2.gz YVEKCFPTGPCOAV-PRLWALMFSA-N 0 0 585.707 4.709 40 30 KJEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCC#N)c(=O)n32)c1 ZINC000408771934 1066229453 /nfs/dbraw/zinc/22/94/53/1066229453.db2.gz KEQSNTFFVTVYMW-LMSRTUJASA-N 0 0 788.405 4.994 40 30 KJEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCC#N)c(=O)n32)c1 ZINC000408771938 1066593427 /nfs/dbraw/zinc/59/34/27/1066593427.db2.gz KEQSNTFFVTVYMW-RISWYLRJSA-N 0 0 788.405 4.994 40 30 KJEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(Br)c4)c(=O)n32)c1 ZINC000408771968 1066593561 /nfs/dbraw/zinc/59/35/61/1066593561.db2.gz LYYZMCJTTFQRCV-BIWBSIMWSA-N 0 0 615.509 4.547 40 30 KJEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(Br)c4)c(=O)n32)c1 ZINC000408771970 1066593452 /nfs/dbraw/zinc/59/34/52/1066593452.db2.gz LYYZMCJTTFQRCV-ZGOFBEGVSA-N 0 0 615.509 4.547 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408772218 1066593587 /nfs/dbraw/zinc/59/35/87/1066593587.db2.gz CSVBRHLHWZRTLJ-ASZNLBCTSA-N 0 0 644.547 4.666 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408772220 1066593607 /nfs/dbraw/zinc/59/36/07/1066593607.db2.gz CSVBRHLHWZRTLJ-YNMQQHPQSA-N 0 0 644.547 4.666 40 30 KJEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(SC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408775213 1066592037 /nfs/dbraw/zinc/59/20/37/1066592037.db2.gz RIFQNHGVBJCBIP-HRLSHZPLSA-N 0 0 566.704 4.670 40 30 KJEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(SC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408775214 1066592025 /nfs/dbraw/zinc/59/20/25/1066592025.db2.gz RIFQNHGVBJCBIP-RWDZFFNTSA-N 0 0 566.704 4.670 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1cccc(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408775453 1066591770 /nfs/dbraw/zinc/59/17/70/1066591770.db2.gz SWCXTJZKRFSUSR-FHMSYZJOSA-N 0 0 570.070 4.548 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1cccc(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408775456 1066591554 /nfs/dbraw/zinc/59/15/54/1066591554.db2.gz SWCXTJZKRFSUSR-OXWVMCNISA-N 0 0 570.070 4.548 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408775792 1066591708 /nfs/dbraw/zinc/59/17/08/1066591708.db2.gz JVHICYCIYGOLLR-LBLGWMPZSA-N 0 0 611.745 4.959 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408775794 1066591592 /nfs/dbraw/zinc/59/15/92/1066591592.db2.gz JVHICYCIYGOLLR-ZUXOAJPSSA-N 0 0 611.745 4.959 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408776217 1066591151 /nfs/dbraw/zinc/59/11/51/1066591151.db2.gz VJLZUQWBSZUDCI-LMKKRCETSA-N 0 0 540.616 4.640 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408776218 1066591087 /nfs/dbraw/zinc/59/10/87/1066591087.db2.gz VJLZUQWBSZUDCI-YMWOEAMWSA-N 0 0 540.616 4.640 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408776473 1066590993 /nfs/dbraw/zinc/59/09/93/1066590993.db2.gz OONUNWDGBAGQTD-ASZNLBCTSA-N 0 0 691.547 4.508 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408776478 1066591190 /nfs/dbraw/zinc/59/11/90/1066591190.db2.gz OONUNWDGBAGQTD-YNMQQHPQSA-N 0 0 691.547 4.508 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408776509 1066590997 /nfs/dbraw/zinc/59/09/97/1066590997.db2.gz OTABGMVQFSCSLS-HRLSHZPLSA-N 0 0 566.704 4.670 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408776511 1066228721 /nfs/dbraw/zinc/22/87/21/1066228721.db2.gz OTABGMVQFSCSLS-RWDZFFNTSA-N 0 0 566.704 4.670 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408776576 1066228743 /nfs/dbraw/zinc/22/87/43/1066228743.db2.gz WDRVPXJESJEBSF-AHQATDLNSA-N 0 0 570.642 4.648 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408776577 1066591045 /nfs/dbraw/zinc/59/10/45/1066591045.db2.gz WDRVPXJESJEBSF-AYTQJLEDSA-N 0 0 570.642 4.648 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Br ZINC000408776903 1066590711 /nfs/dbraw/zinc/59/07/11/1066590711.db2.gz SGCKSIOAKDFJDE-ASZNLBCTSA-N 0 0 614.521 4.657 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1Br ZINC000408776904 1066590685 /nfs/dbraw/zinc/59/06/85/1066590685.db2.gz SGCKSIOAKDFJDE-YNMQQHPQSA-N 0 0 614.521 4.657 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408777125 1066590745 /nfs/dbraw/zinc/59/07/45/1066590745.db2.gz VRQSDHFADVUJKI-LMKKRCETSA-N 0 0 567.692 4.560 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408777128 1066590733 /nfs/dbraw/zinc/59/07/33/1066590733.db2.gz VRQSDHFADVUJKI-YMWOEAMWSA-N 0 0 567.692 4.560 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408777537 1066600300 /nfs/dbraw/zinc/60/03/00/1066600300.db2.gz BOHAKOMOEAXSHJ-CBPRFPNYSA-N 0 0 593.705 4.970 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408777538 1066600370 /nfs/dbraw/zinc/60/03/70/1066600370.db2.gz BOHAKOMOEAXSHJ-ZRYJBNJPSA-N 0 0 593.705 4.970 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408777694 1066230918 /nfs/dbraw/zinc/23/09/18/1066230918.db2.gz GFDZATSFBFRSHD-LBLGWMPZSA-N 0 0 563.679 4.961 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408777695 1066600292 /nfs/dbraw/zinc/60/02/92/1066600292.db2.gz GFDZATSFBFRSHD-ZUXOAJPSSA-N 0 0 563.679 4.961 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408779296 1066599443 /nfs/dbraw/zinc/59/94/43/1066599443.db2.gz UTEQXUCGKBBAPB-LBLGWMPZSA-N 0 0 593.705 4.970 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408779297 1066599336 /nfs/dbraw/zinc/59/93/36/1066599336.db2.gz UTEQXUCGKBBAPB-ZUXOAJPSSA-N 0 0 593.705 4.970 40 30 KJEBRN Cc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408780331 1066598836 /nfs/dbraw/zinc/59/88/36/1066598836.db2.gz XMGSZOHIVUAVJI-YDZHTSKRSA-N 0 0 507.397 4.628 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408780841 1066230789 /nfs/dbraw/zinc/23/07/89/1066230789.db2.gz LYCVSJFFFFFEQU-LBLGWMPZSA-N 0 0 596.730 4.678 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408780842 1066598418 /nfs/dbraw/zinc/59/84/18/1066598418.db2.gz LYCVSJFFFFFEQU-ZUXOAJPSSA-N 0 0 596.730 4.678 40 30 KJEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC#N)c(OC)c4)c(=O)n32)c1 ZINC000408780993 1066231584 /nfs/dbraw/zinc/23/15/84/1066231584.db2.gz PJFSJGJDABAAHC-BIWBSIMWSA-N 0 0 645.535 4.556 40 30 KJEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC#N)c(OC)c4)c(=O)n32)c1 ZINC000408780994 1066231633 /nfs/dbraw/zinc/23/16/33/1066231633.db2.gz PJFSJGJDABAAHC-ZGOFBEGVSA-N 0 0 645.535 4.556 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408781071 1066598193 /nfs/dbraw/zinc/59/81/93/1066598193.db2.gz REHKDGDNDIRIJG-DDBFQISPSA-N 0 0 581.694 4.846 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408781072 1066598232 /nfs/dbraw/zinc/59/82/32/1066598232.db2.gz REHKDGDNDIRIJG-WWWKDLBZSA-N 0 0 581.694 4.846 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408781213 1066230857 /nfs/dbraw/zinc/23/08/57/1066230857.db2.gz ATDZPVZHSLYQJK-AHQATDLNSA-N 0 0 597.718 4.568 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408781222 1066230728 /nfs/dbraw/zinc/23/07/28/1066230728.db2.gz ATDZPVZHSLYQJK-AYTQJLEDSA-N 0 0 597.718 4.568 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408782466 1066597953 /nfs/dbraw/zinc/59/79/53/1066597953.db2.gz HFDAGNNFPDXHIR-JKALPCAWSA-N 0 0 624.376 4.950 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408782468 1066597790 /nfs/dbraw/zinc/59/77/90/1066597790.db2.gz HFDAGNNFPDXHIR-SQWSFHKJSA-N 0 0 624.376 4.950 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408783549 1066602973 /nfs/dbraw/zinc/60/29/73/1066602973.db2.gz MURKQXRKPBHBKD-ASZNLBCTSA-N 0 0 600.096 4.557 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408783551 1066602843 /nfs/dbraw/zinc/60/28/43/1066602843.db2.gz MURKQXRKPBHBKD-YNMQQHPQSA-N 0 0 600.096 4.557 40 30 KJEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCC#N)c(I)c4)c(=O)n32)c1 ZINC000408783572 1066602932 /nfs/dbraw/zinc/60/29/32/1066602932.db2.gz MZLQJYNQFORXJG-LMSRTUJASA-N 0 0 788.405 4.994 40 30 KJEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCC#N)c(I)c4)c(=O)n32)c1 ZINC000408783573 1066602749 /nfs/dbraw/zinc/60/27/49/1066602749.db2.gz MZLQJYNQFORXJG-RISWYLRJSA-N 0 0 788.405 4.994 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408784059 1066231720 /nfs/dbraw/zinc/23/17/20/1066231720.db2.gz SCTINNNDVHQSHB-LMKKRCETSA-N 0 0 567.692 4.560 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408784061 1066231742 /nfs/dbraw/zinc/23/17/42/1066231742.db2.gz SCTINNNDVHQSHB-YMWOEAMWSA-N 0 0 567.692 4.560 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408785008 1066602206 /nfs/dbraw/zinc/60/22/06/1066602206.db2.gz FHDFHNOLYQZPSG-LBLGWMPZSA-N 0 0 563.679 4.961 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408785010 1066232471 /nfs/dbraw/zinc/23/24/71/1066232471.db2.gz FHDFHNOLYQZPSG-ZUXOAJPSSA-N 0 0 563.679 4.961 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408786203 1066600903 /nfs/dbraw/zinc/60/09/03/1066600903.db2.gz GYTMJSPZITWUQZ-HRLSHZPLSA-N 0 0 596.730 4.678 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408786204 1066600887 /nfs/dbraw/zinc/60/08/87/1066600887.db2.gz GYTMJSPZITWUQZ-RWDZFFNTSA-N 0 0 596.730 4.678 40 30 KJEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408786373 1066600913 /nfs/dbraw/zinc/60/09/13/1066600913.db2.gz IQSILURORJOLCM-HRLSHZPLSA-N 0 0 566.704 4.670 40 30 KJEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408786374 1066600895 /nfs/dbraw/zinc/60/08/95/1066600895.db2.gz IQSILURORJOLCM-RWDZFFNTSA-N 0 0 566.704 4.670 40 30 KJEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cc(I)c(O)cc1O ZINC000408786380 1066232956 /nfs/dbraw/zinc/23/29/56/1066232956.db2.gz IVNSYDMKTQTYJP-ACAGNQJTSA-N 0 0 507.136 4.901 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408786536 1066600981 /nfs/dbraw/zinc/60/09/81/1066600981.db2.gz SGZHEJTULYJVDW-LMKKRCETSA-N 0 0 540.616 4.640 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408786537 1066600882 /nfs/dbraw/zinc/60/08/82/1066600882.db2.gz SGZHEJTULYJVDW-YMWOEAMWSA-N 0 0 540.616 4.640 40 30 KJEBRN CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCC#N ZINC000408786585 1066600861 /nfs/dbraw/zinc/60/08/61/1066600861.db2.gz SQHFHUPZRBVEQV-DUBROFONSA-N 0 0 535.407 4.754 40 30 KJEBRN CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCC#N ZINC000408786586 1066600918 /nfs/dbraw/zinc/60/09/18/1066600918.db2.gz SQHFHUPZRBVEQV-QUYTYNJFSA-N 0 0 535.407 4.754 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408787169 1066233729 /nfs/dbraw/zinc/23/37/29/1066233729.db2.gz SWULMTYSWLYDQP-LBLGWMPZSA-N 0 0 563.679 4.961 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408787170 1066600256 /nfs/dbraw/zinc/60/02/56/1066600256.db2.gz SWULMTYSWLYDQP-ZUXOAJPSSA-N 0 0 563.679 4.961 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408787269 1066603772 /nfs/dbraw/zinc/60/37/72/1066603772.db2.gz WFOVARNGLSYZOE-LMKKRCETSA-N 0 0 597.718 4.568 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408787270 1066603778 /nfs/dbraw/zinc/60/37/78/1066603778.db2.gz WFOVARNGLSYZOE-YMWOEAMWSA-N 0 0 597.718 4.568 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408787405 1066606045 /nfs/dbraw/zinc/60/60/45/1066606045.db2.gz ZOTQKMJPEAMROP-CBIIRDDDSA-N 0 0 534.419 4.864 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408787406 1066606144 /nfs/dbraw/zinc/60/61/44/1066606144.db2.gz ZOTQKMJPEAMROP-QFXXMJIKSA-N 0 0 534.419 4.864 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OC)c(Br)c1 ZINC000408788720 1066232113 /nfs/dbraw/zinc/23/21/13/1066232113.db2.gz MFJGPMOHAGXARN-KRWDZBQOSA-N 0 0 519.189 4.962 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OC)c(Br)c1 ZINC000408788725 1066605513 /nfs/dbraw/zinc/60/55/13/1066605513.db2.gz MFJGPMOHAGXARN-QGZVFWFLSA-N 0 0 519.189 4.962 40 30 KJEBRN CCOC(=O)COc1c(Br)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408788940 1066232372 /nfs/dbraw/zinc/23/23/72/1066232372.db2.gz NGGDNTTVNMWOSY-FQEVSTJZSA-N 0 0 638.252 4.737 40 30 KJEBRN CCOC(=O)COc1c(Br)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408788942 1066605411 /nfs/dbraw/zinc/60/54/11/1066605411.db2.gz NGGDNTTVNMWOSY-HXUWFJFHSA-N 0 0 638.252 4.737 40 30 KJEBRN C#CCOc1c(I)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408788965 1066605485 /nfs/dbraw/zinc/60/54/85/1066605485.db2.gz NKJGAAJYYWQLJE-IBGZPJMESA-N 0 0 637.211 4.649 40 30 KJEBRN C#CCOc1c(I)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408788967 1066233186 /nfs/dbraw/zinc/23/31/86/1066233186.db2.gz NKJGAAJYYWQLJE-LJQANCHMSA-N 0 0 637.211 4.649 40 30 KJEBRN CCOC(=O)COc1c(Br)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Br ZINC000408789153 1066232977 /nfs/dbraw/zinc/23/29/77/1066232977.db2.gz OFUQZNZZTGZSQP-FQEVSTJZSA-N 0 0 591.252 4.895 40 30 KJEBRN CCOC(=O)COc1c(Br)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Br ZINC000408789155 1066605400 /nfs/dbraw/zinc/60/54/00/1066605400.db2.gz OFUQZNZZTGZSQP-HXUWFJFHSA-N 0 0 591.252 4.895 40 30 KJEBRN C=CCOc1c(I)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408789804 1066233171 /nfs/dbraw/zinc/23/31/71/1066233171.db2.gz LTVRHIXUHOKGMC-FQEVSTJZSA-N 0 0 543.357 4.606 40 30 KJEBRN C=CCOc1c(I)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408789805 1066605527 /nfs/dbraw/zinc/60/55/27/1066605527.db2.gz LTVRHIXUHOKGMC-HXUWFJFHSA-N 0 0 543.357 4.606 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(I)c(OCC#N)c(I)c1 ZINC000408791982 1066604956 /nfs/dbraw/zinc/60/49/56/1066604956.db2.gz GCUKLDKJZBOMNE-GOSISDBHSA-N 0 0 638.199 4.540 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(I)c(OCC#N)c(I)c1 ZINC000408791983 1066604841 /nfs/dbraw/zinc/60/48/41/1066604841.db2.gz GCUKLDKJZBOMNE-SFHVURJKSA-N 0 0 638.199 4.540 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000408792235 1066233835 /nfs/dbraw/zinc/23/38/35/1066233835.db2.gz JWKVTBSFJMNVCE-RUZDIDTESA-N 0 0 512.518 4.924 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000408792236 1066604864 /nfs/dbraw/zinc/60/48/64/1066604864.db2.gz JWKVTBSFJMNVCE-VWLOTQADSA-N 0 0 512.518 4.924 40 30 KJEBRN COC(=O)COc1c(Br)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Br ZINC000408792350 1066604905 /nfs/dbraw/zinc/60/49/05/1066604905.db2.gz AWVKRGMTXKYJBB-IBGZPJMESA-N 0 0 577.225 4.505 40 30 KJEBRN COC(=O)COc1c(Br)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Br ZINC000408792353 1066234199 /nfs/dbraw/zinc/23/41/99/1066234199.db2.gz AWVKRGMTXKYJBB-LJQANCHMSA-N 0 0 577.225 4.505 40 30 KJEBRN C=CCOc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408792663 1066233514 /nfs/dbraw/zinc/23/35/14/1066233514.db2.gz BHQMPTCQBHVXSO-FQEVSTJZSA-N 0 0 513.331 4.597 40 30 KJEBRN C=CCOc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408792665 1066604847 /nfs/dbraw/zinc/60/48/47/1066604847.db2.gz BHQMPTCQBHVXSO-HXUWFJFHSA-N 0 0 513.331 4.597 40 30 KJEBRN CCOC(=O)COc1c(Br)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000408792812 1066604898 /nfs/dbraw/zinc/60/48/98/1066604898.db2.gz LMOVKUVAMHIPGC-JOCHJYFZSA-N 0 0 556.409 4.531 40 30 KJEBRN CCOC(=O)COc1c(Br)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000408792815 1066233627 /nfs/dbraw/zinc/23/36/27/1066233627.db2.gz LMOVKUVAMHIPGC-QFIPXVFZSA-N 0 0 556.409 4.531 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(I)c(OC)c(I)c1 ZINC000408793110 1066604167 /nfs/dbraw/zinc/60/41/67/1066604167.db2.gz DBROGSUWDVOGNL-KRWDZBQOSA-N 0 0 613.189 4.646 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(I)c(OC)c(I)c1 ZINC000408793120 1066604266 /nfs/dbraw/zinc/60/42/66/1066604266.db2.gz DBROGSUWDVOGNL-QGZVFWFLSA-N 0 0 613.189 4.646 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OCC#N)c(Br)c1 ZINC000408793180 1066233713 /nfs/dbraw/zinc/23/37/13/1066233713.db2.gz NSLAZNZJKZMFES-GOSISDBHSA-N 0 0 544.199 4.855 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OCC#N)c(Br)c1 ZINC000408793183 1066604176 /nfs/dbraw/zinc/60/41/76/1066604176.db2.gz NSLAZNZJKZMFES-SFHVURJKSA-N 0 0 544.199 4.855 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Cl ZINC000408793308 1066604232 /nfs/dbraw/zinc/60/42/32/1066604232.db2.gz DOFMOWQLYQKEHK-FQEVSTJZSA-N 0 0 502.350 4.677 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Cl ZINC000408793317 1066198471 /nfs/dbraw/zinc/19/84/71/1066198471.db2.gz DOFMOWQLYQKEHK-HXUWFJFHSA-N 0 0 502.350 4.677 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408793827 1066233644 /nfs/dbraw/zinc/23/36/44/1066233644.db2.gz GTPASOHLCLJOED-IBGZPJMESA-N 0 0 590.211 4.807 40 30 KJEBRN C#CCOc1c(Br)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408793830 1066233564 /nfs/dbraw/zinc/23/35/64/1066233564.db2.gz GTPASOHLCLJOED-LJQANCHMSA-N 0 0 590.211 4.807 40 30 KJEBRN CCOC(=O)COc1cc(Br)c([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000408794325 1066604164 /nfs/dbraw/zinc/60/41/64/1066604164.db2.gz RYCWGVYBBJNSFF-HSZRJFAPSA-N 0 0 556.409 4.531 40 30 KJEBRN CCOC(=O)COc1cc(Br)c([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000408794331 1066604180 /nfs/dbraw/zinc/60/41/80/1066604180.db2.gz RYCWGVYBBJNSFF-QHCPKHFHSA-N 0 0 556.409 4.531 40 30 KJEBRN CCOC(=O)COc1c(I)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408794839 1066233551 /nfs/dbraw/zinc/23/35/51/1066233551.db2.gz KDLBNCWQACSESL-FQEVSTJZSA-N 0 0 685.252 4.579 40 30 KJEBRN CCOC(=O)COc1c(I)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408794850 1066233496 /nfs/dbraw/zinc/23/34/96/1066233496.db2.gz KDLBNCWQACSESL-HXUWFJFHSA-N 0 0 685.252 4.579 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OCC#N)c(I)c1 ZINC000408795233 1066604294 /nfs/dbraw/zinc/60/42/94/1066604294.db2.gz LHHBEPWCVYQHAP-GOSISDBHSA-N 0 0 591.199 4.697 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OCC#N)c(I)c1 ZINC000408795243 1066233530 /nfs/dbraw/zinc/23/35/30/1066233530.db2.gz LHHBEPWCVYQHAP-SFHVURJKSA-N 0 0 591.199 4.697 40 30 KJEBRN C=CCOc1c(I)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000408795341 1066604134 /nfs/dbraw/zinc/60/41/34/1066604134.db2.gz KXNXJLPEICLARF-NRFANRHFSA-N 0 0 557.384 4.996 40 30 KJEBRN C=CCOc1c(I)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000408795347 1066604222 /nfs/dbraw/zinc/60/42/22/1066604222.db2.gz KXNXJLPEICLARF-OAQYLSRUSA-N 0 0 557.384 4.996 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OC)c(I)c1 ZINC000408795996 1066603696 /nfs/dbraw/zinc/60/36/96/1066603696.db2.gz WWCBNEBAPYAVIL-KRWDZBQOSA-N 0 0 566.189 4.804 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OC)c(I)c1 ZINC000408796002 1066603741 /nfs/dbraw/zinc/60/37/41/1066603741.db2.gz WWCBNEBAPYAVIL-QGZVFWFLSA-N 0 0 566.189 4.804 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408797026 1066603820 /nfs/dbraw/zinc/60/38/20/1066603820.db2.gz FMIIYLVEHXQDFA-VEOZPNHKSA-N 0 0 574.033 4.630 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408797031 1066603836 /nfs/dbraw/zinc/60/38/36/1066603836.db2.gz FMIIYLVEHXQDFA-ZEKHAJRLSA-N 0 0 574.033 4.630 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000408798190 1066612050 /nfs/dbraw/zinc/61/20/50/1066612050.db2.gz VBGDUZWAPQPGTN-RUZDIDTESA-N 0 0 512.518 4.924 40 30 KJEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000408798194 1066234364 /nfs/dbraw/zinc/23/43/64/1066234364.db2.gz VBGDUZWAPQPGTN-VWLOTQADSA-N 0 0 512.518 4.924 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408798401 1066611952 /nfs/dbraw/zinc/61/19/52/1066611952.db2.gz IDTAWWYGHQAYPZ-FJNIOPPGSA-N 0 0 576.653 4.812 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408798404 1066612059 /nfs/dbraw/zinc/61/20/59/1066612059.db2.gz IDTAWWYGHQAYPZ-TZUCAZQYSA-N 0 0 576.653 4.812 40 30 KJEBRN C#CCOc1cc(Br)c([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000408799261 1066612072 /nfs/dbraw/zinc/61/20/72/1066612072.db2.gz YMOHOPIGGQRWOD-JOCHJYFZSA-N 0 0 508.368 4.601 40 30 KJEBRN C#CCOc1cc(Br)c([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000408799265 1066234452 /nfs/dbraw/zinc/23/44/52/1066234452.db2.gz YMOHOPIGGQRWOD-QFIPXVFZSA-N 0 0 508.368 4.601 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408799897 1066611551 /nfs/dbraw/zinc/61/15/51/1066611551.db2.gz JDLIHTZGIXKBQM-VEOZPNHKSA-N 0 0 695.510 4.590 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408799898 1066611386 /nfs/dbraw/zinc/61/13/86/1066611386.db2.gz JDLIHTZGIXKBQM-ZEKHAJRLSA-N 0 0 695.510 4.590 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408799963 1066611508 /nfs/dbraw/zinc/61/15/08/1066611508.db2.gz MCMPZJJUWBCTGY-QPWQWLJXSA-N 0 0 573.045 4.740 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408799964 1066611539 /nfs/dbraw/zinc/61/15/39/1066611539.db2.gz MCMPZJJUWBCTGY-ZYSRDMNZSA-N 0 0 573.045 4.740 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408800623 1066610837 /nfs/dbraw/zinc/61/08/37/1066610837.db2.gz QFOZDJCNRJMWCX-OBDCIHEFSA-N 0 0 597.668 4.787 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408800625 1066610718 /nfs/dbraw/zinc/61/07/18/1066610718.db2.gz QFOZDJCNRJMWCX-SJXDCSIJSA-N 0 0 597.668 4.787 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408801653 1066609521 /nfs/dbraw/zinc/60/95/21/1066609521.db2.gz VCUZXKHKIZFFGG-AFHVAHMMSA-N 0 0 683.337 4.869 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408801655 1066609468 /nfs/dbraw/zinc/60/94/68/1066609468.db2.gz VCUZXKHKIZFFGG-ZRELAVNMSA-N 0 0 683.337 4.869 40 30 KJEBRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(Br)c(OCC#N)c(OC)c2)S1 ZINC000408804701 1066237081 /nfs/dbraw/zinc/23/70/81/1066237081.db2.gz GTANMWLFFAGSMC-UHFFFAOYSA-N 0 0 509.789 4.785 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408805536 1066607411 /nfs/dbraw/zinc/60/74/11/1066607411.db2.gz GKTOAOYZTBDYHL-FJNIOPPGSA-N 0 0 576.653 4.812 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408805537 1066607360 /nfs/dbraw/zinc/60/73/60/1066607360.db2.gz GKTOAOYZTBDYHL-TZUCAZQYSA-N 0 0 576.653 4.812 40 30 KJEBRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408806586 1066606191 /nfs/dbraw/zinc/60/61/91/1066606191.db2.gz AHYUANCSFPQBEC-ZDLGFXPLSA-N 0 0 520.348 4.807 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1OC)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408806986 1066236366 /nfs/dbraw/zinc/23/63/66/1066236366.db2.gz CLGMEHIYERRGOM-FWESEHMYSA-N 0 0 659.558 4.727 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)cc1OC)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408806993 1066606200 /nfs/dbraw/zinc/60/62/00/1066606200.db2.gz CLGMEHIYERRGOM-OINPTKSXSA-N 0 0 659.558 4.727 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408808035 1066618901 /nfs/dbraw/zinc/61/89/01/1066618901.db2.gz DKTPPHMWWLXCFS-AFHVAHMMSA-N 0 0 730.337 4.711 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408808037 1066619082 /nfs/dbraw/zinc/61/90/82/1066619082.db2.gz DKTPPHMWWLXCFS-ZRELAVNMSA-N 0 0 730.337 4.711 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc(Br)cc1OC ZINC000408808218 1066619064 /nfs/dbraw/zinc/61/90/64/1066619064.db2.gz DQWLNXUIZPJRSL-OBDCIHEFSA-N 0 0 688.600 4.983 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc(Br)cc1OC ZINC000408808223 1066618996 /nfs/dbraw/zinc/61/89/96/1066618996.db2.gz DQWLNXUIZPJRSL-SJXDCSIJSA-N 0 0 688.600 4.983 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408809012 1066618362 /nfs/dbraw/zinc/61/83/62/1066618362.db2.gz GHFHXCSHSZWIBO-HDFSHUSISA-N 0 0 644.547 4.666 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408809016 1066618382 /nfs/dbraw/zinc/61/83/82/1066618382.db2.gz GHFHXCSHSZWIBO-LAUBZIAYSA-N 0 0 644.547 4.666 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)cc1OC ZINC000408809122 1066618327 /nfs/dbraw/zinc/61/83/27/1066618327.db2.gz ICYKRJBBJKOALQ-CMISJSSVSA-N 0 0 614.521 4.657 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)cc1OC ZINC000408809125 1066618280 /nfs/dbraw/zinc/61/82/80/1066618280.db2.gz ICYKRJBBJKOALQ-DBXPASCUSA-N 0 0 614.521 4.657 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)cc1OC ZINC000408809654 1066617758 /nfs/dbraw/zinc/61/77/58/1066617758.db2.gz HIGZRKMYAYXZSZ-PKYOQBLNSA-N 0 0 674.573 4.674 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)cc1OC ZINC000408809657 1066617788 /nfs/dbraw/zinc/61/77/88/1066617788.db2.gz HIGZRKMYAYXZSZ-USDTVRPUSA-N 0 0 674.573 4.674 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408809665 1066617785 /nfs/dbraw/zinc/61/77/85/1066617785.db2.gz HQVDUBYFZFDGLR-QPWQWLJXSA-N 0 0 617.496 4.849 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408809671 1066617792 /nfs/dbraw/zinc/61/77/92/1066617792.db2.gz HQVDUBYFZFDGLR-ZYSRDMNZSA-N 0 0 617.496 4.849 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(O)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408809726 1066198610 /nfs/dbraw/zinc/19/86/10/1066198610.db2.gz IRDHWFLAQWGXSX-ASZNLBCTSA-N 0 0 632.536 4.915 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(O)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408809729 1066617777 /nfs/dbraw/zinc/61/77/77/1066617777.db2.gz IRDHWFLAQWGXSX-YNMQQHPQSA-N 0 0 632.536 4.915 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)cc1OC ZINC000408810105 1066617780 /nfs/dbraw/zinc/61/77/80/1066617780.db2.gz IXIMPCDKCSVWKH-UHFFFAOYSA-N 0 0 508.801 4.895 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408810646 1066617121 /nfs/dbraw/zinc/61/71/21/1066617121.db2.gz UJMYNQTUEPLNHP-GBIJUZDQSA-N 0 0 562.626 4.553 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408810658 1066617097 /nfs/dbraw/zinc/61/70/97/1066617097.db2.gz UJMYNQTUEPLNHP-JQTKYWOZSA-N 0 0 562.626 4.553 40 30 KJEBRN C#CCOc1c(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)cc(Br)cc1OC ZINC000408811195 1066238736 /nfs/dbraw/zinc/23/87/36/1066238736.db2.gz MHRPHTFCBGZTSQ-UHFFFAOYSA-N 0 0 508.801 4.895 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408812009 1066238445 /nfs/dbraw/zinc/23/84/45/1066238445.db2.gz BWKJUHXDQIUCAQ-VPHSIRQSSA-N 0 0 704.599 4.683 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408812016 1066615697 /nfs/dbraw/zinc/61/56/97/1066615697.db2.gz BWKJUHXDQIUCAQ-YVBHXKDBSA-N 0 0 704.599 4.683 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408812265 1066238565 /nfs/dbraw/zinc/23/85/65/1066238565.db2.gz OFBWFVAXSQVUPH-DLBLZJNESA-N 0 0 571.482 4.516 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408812270 1066615805 /nfs/dbraw/zinc/61/58/05/1066615805.db2.gz OFBWFVAXSQVUPH-FCKOQQNDSA-N 0 0 571.482 4.516 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408812543 1066238457 /nfs/dbraw/zinc/23/84/57/1066238457.db2.gz NIZJWBQQKOJLKZ-CVGPFBNFSA-N 0 0 573.896 4.779 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408812549 1066615822 /nfs/dbraw/zinc/61/58/22/1066615822.db2.gz NIZJWBQQKOJLKZ-LJJBLSSYSA-N 0 0 573.896 4.779 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)Nc1ccccc1C)=C(C)N=2 ZINC000408812639 1066199217 /nfs/dbraw/zinc/19/92/17/1066199217.db2.gz PEHWLTMBBVBXGD-JLKMOJGBSA-N 0 0 658.574 4.974 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)Nc1ccccc1C)=C(C)N=2 ZINC000408812649 1066238492 /nfs/dbraw/zinc/23/84/92/1066238492.db2.gz PEHWLTMBBVBXGD-UNDLXJOSSA-N 0 0 658.574 4.974 40 30 KJEBRN O=S(=O)(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(I)cc1 ZINC000408812996 1066236790 /nfs/dbraw/zinc/23/67/90/1066236790.db2.gz CPDUAOMUWQAQBS-ZVHZXABRSA-N 0 0 515.376 4.607 40 30 KJEBRN O=S(=O)(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(I)cc1 ZINC000408813056 1066237021 /nfs/dbraw/zinc/23/70/21/1066237021.db2.gz DMHIPNAKWOULBK-DHRITJCHSA-N 0 0 533.366 4.746 40 30 KJEBRN C=CCOc1ccc(Br)cc1[C@H]([C@@H]1C(=O)CC(C)(C)C[C@H]1O)[C@@H]1C(=O)CC(C)(C)C[C@@H]1O ZINC000408813151 1066237038 /nfs/dbraw/zinc/23/70/38/1066237038.db2.gz PRUGLTMZKZZRHC-IHDINZNASA-N 0 0 507.465 4.830 40 30 KJEBRN C=CCOc1ccc(Br)cc1[C@H]([C@H]1C(=O)CC(C)(C)C[C@H]1O)[C@@H]1C(=O)CC(C)(C)C[C@@H]1O ZINC000408813158 1066237134 /nfs/dbraw/zinc/23/71/34/1066237134.db2.gz PRUGLTMZKZZRHC-IQTZXVTBSA-N 0 0 507.465 4.830 40 30 KJEBRN C=CCOc1ccc(Br)cc1[C@H]([C@H]1C(=O)CC(C)(C)C[C@@H]1O)[C@@H]1C(=O)CC(C)(C)C[C@@H]1O ZINC000408813160 1066237186 /nfs/dbraw/zinc/23/71/86/1066237186.db2.gz PRUGLTMZKZZRHC-LZTJMKBJSA-N 0 0 507.465 4.830 40 30 KJEBRN C=CCOc1ccc(Br)cc1C([C@@H]1C(=O)CC(C)(C)C[C@@H]1O)[C@@H]1C(=O)CC(C)(C)C[C@@H]1O ZINC000408813162 1066237568 /nfs/dbraw/zinc/23/75/68/1066237568.db2.gz PRUGLTMZKZZRHC-NZUPQLOKSA-N 0 0 507.465 4.830 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408813956 1066614363 /nfs/dbraw/zinc/61/43/63/1066614363.db2.gz FJQZOOMNUZNLIX-HPFVHPJRSA-N 0 0 584.495 4.648 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408813957 1066615179 /nfs/dbraw/zinc/61/51/79/1066615179.db2.gz FJQZOOMNUZNLIX-WHNPURCTSA-N 0 0 584.495 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408813966 1066615150 /nfs/dbraw/zinc/61/51/50/1066615150.db2.gz GGLZMFNSJNNNHA-PNQAETMRSA-N 0 0 648.741 4.699 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408813967 1066615118 /nfs/dbraw/zinc/61/51/18/1066615118.db2.gz GGLZMFNSJNNNHA-RIFKOAFWSA-N 0 0 648.741 4.699 40 30 KJEBRN O=S(=O)(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(I)cc1 ZINC000408814404 1066614467 /nfs/dbraw/zinc/61/44/67/1066614467.db2.gz GYBQBCILKNFKHH-YDZHTSKRSA-N 0 0 526.783 4.836 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)cc1OC ZINC000408814718 1066614371 /nfs/dbraw/zinc/61/43/71/1066614371.db2.gz GKBLXNTUDNCHCP-PKYOQBLNSA-N 0 0 704.599 4.683 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)cc1OC ZINC000408814726 1066614506 /nfs/dbraw/zinc/61/45/06/1066614506.db2.gz GKBLXNTUDNCHCP-USDTVRPUSA-N 0 0 704.599 4.683 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408814802 1066613816 /nfs/dbraw/zinc/61/38/16/1066613816.db2.gz QEXVOOPYULKPTK-VEOZPNHKSA-N 0 0 604.059 4.639 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408814811 1066613822 /nfs/dbraw/zinc/61/38/22/1066613822.db2.gz QEXVOOPYULKPTK-ZEKHAJRLSA-N 0 0 604.059 4.639 40 30 KJEBRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC#N ZINC000408814913 1066613810 /nfs/dbraw/zinc/61/38/10/1066613810.db2.gz GTGTVAXQLMCKFC-ATVHPVEESA-N 0 0 506.321 4.833 40 30 KJEBRN C#CCOc1c(/C=C2\SC(=Nc3cc(C)c(C)c([N+](=O)[O-])c3)NC2=O)cc(Br)cc1OC ZINC000408815074 1066613781 /nfs/dbraw/zinc/61/37/81/1066613781.db2.gz UEZOKVJGYPQBFU-OCKHKDLRSA-N 0 0 516.373 4.886 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(Br)cc1OC ZINC000408815500 1066613842 /nfs/dbraw/zinc/61/38/42/1066613842.db2.gz JMUMSCPOGMAOJI-QPWQWLJXSA-N 0 0 629.532 4.719 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(Br)cc1OC ZINC000408815506 1066613792 /nfs/dbraw/zinc/61/37/92/1066613792.db2.gz JMUMSCPOGMAOJI-ZYSRDMNZSA-N 0 0 629.532 4.719 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408815600 1066238602 /nfs/dbraw/zinc/23/86/02/1066238602.db2.gz SSXXDMCUCMXAMZ-CLNXTWJPSA-N 0 0 561.638 4.663 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408815602 1066613167 /nfs/dbraw/zinc/61/31/67/1066613167.db2.gz SSXXDMCUCMXAMZ-ZHGFHMGHSA-N 0 0 561.638 4.663 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408816084 1066613078 /nfs/dbraw/zinc/61/30/78/1066613078.db2.gz SKWIWGRSKMCOJP-QPWQWLJXSA-N 0 0 603.071 4.749 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408816089 1066613161 /nfs/dbraw/zinc/61/31/61/1066613161.db2.gz SKWIWGRSKMCOJP-ZYSRDMNZSA-N 0 0 603.071 4.749 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408816202 1066239410 /nfs/dbraw/zinc/23/94/10/1066239410.db2.gz KXAYCBFQYOGNMQ-CMISJSSVSA-N 0 0 543.044 4.617 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408816211 1066613233 /nfs/dbraw/zinc/61/32/33/1066613233.db2.gz KXAYCBFQYOGNMQ-DBXPASCUSA-N 0 0 543.044 4.617 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408816569 1066612646 /nfs/dbraw/zinc/61/26/46/1066612646.db2.gz LWPNMSIAWQODHJ-HPFVHPJRSA-N 0 0 614.521 4.657 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408816583 1066612690 /nfs/dbraw/zinc/61/26/90/1066612690.db2.gz LWPNMSIAWQODHJ-WHNPURCTSA-N 0 0 614.521 4.657 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408816710 1066612650 /nfs/dbraw/zinc/61/26/50/1066612650.db2.gz UHXBLSQPGJCBNW-LMKKRCETSA-N 0 0 570.642 4.648 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408816718 1066612633 /nfs/dbraw/zinc/61/26/33/1066612633.db2.gz UHXBLSQPGJCBNW-YMWOEAMWSA-N 0 0 570.642 4.648 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408816768 1066239234 /nfs/dbraw/zinc/23/92/34/1066239234.db2.gz UOYLLINOLBLSHG-HDFSHUSISA-N 0 0 674.573 4.674 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408816778 1066612598 /nfs/dbraw/zinc/61/25/98/1066612598.db2.gz UOYLLINOLBLSHG-LAUBZIAYSA-N 0 0 674.573 4.674 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(O)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408816896 1066612679 /nfs/dbraw/zinc/61/26/79/1066612679.db2.gz KGSBDDMYEPBHIC-GONGWJOBSA-N 0 0 601.684 4.753 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(O)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408816916 1066612686 /nfs/dbraw/zinc/61/26/86/1066612686.db2.gz KGSBDDMYEPBHIC-UTAOYMJKSA-N 0 0 601.684 4.753 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(O)c(OCC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408817314 1066239172 /nfs/dbraw/zinc/23/91/72/1066239172.db2.gz XMGGIYQTNCVEQV-PKYOQBLNSA-N 0 0 674.573 4.761 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(O)c(OCC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408817320 1066626969 /nfs/dbraw/zinc/62/69/69/1066626969.db2.gz XMGGIYQTNCVEQV-USDTVRPUSA-N 0 0 674.573 4.761 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408817371 1066627033 /nfs/dbraw/zinc/62/70/33/1066627033.db2.gz TVSZEVQCIRZIAS-QPWQWLJXSA-N 0 0 694.522 4.700 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408817376 1066626953 /nfs/dbraw/zinc/62/69/53/1066626953.db2.gz TVSZEVQCIRZIAS-ZYSRDMNZSA-N 0 0 694.522 4.700 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408817489 1066239401 /nfs/dbraw/zinc/23/94/01/1066239401.db2.gz WBAFXDLYCMYAJU-QPWQWLJXSA-N 0 0 647.522 4.858 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408817500 1066627003 /nfs/dbraw/zinc/62/70/03/1066627003.db2.gz WBAFXDLYCMYAJU-ZYSRDMNZSA-N 0 0 647.522 4.858 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=Nc3cc(C)c(C)c([N+](=O)[O-])c3)NC2=O)cc1OC ZINC000408817602 1066626420 /nfs/dbraw/zinc/62/64/20/1066626420.db2.gz LWWPWZGSJUDDOU-GRSHGNNSSA-N 0 0 516.373 4.886 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408817649 1066199119 /nfs/dbraw/zinc/19/91/19/1066199119.db2.gz LYYIMVVYVPDRAC-HRLSHZPLSA-N 0 0 599.108 5.000 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408817657 1066626392 /nfs/dbraw/zinc/62/63/92/1066626392.db2.gz LYYIMVVYVPDRAC-RWDZFFNTSA-N 0 0 599.108 5.000 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408817789 1066626374 /nfs/dbraw/zinc/62/63/74/1066626374.db2.gz WUCMJQIDVIMDOI-VEOZPNHKSA-N 0 0 618.484 4.740 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408817794 1066626329 /nfs/dbraw/zinc/62/63/29/1066626329.db2.gz WUCMJQIDVIMDOI-ZEKHAJRLSA-N 0 0 618.484 4.740 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408818010 1066626376 /nfs/dbraw/zinc/62/63/76/1066626376.db2.gz MNLKBXSOOLXEKE-JLKMOJGBSA-N 0 0 644.149 4.955 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408818015 1066239266 /nfs/dbraw/zinc/23/92/66/1066239266.db2.gz MNLKBXSOOLXEKE-UNDLXJOSSA-N 0 0 644.149 4.955 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408818440 1066626321 /nfs/dbraw/zinc/62/63/21/1066626321.db2.gz XZHWNLHNWAPSQX-PKYOQBLNSA-N 0 0 674.573 4.674 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408818443 1066626336 /nfs/dbraw/zinc/62/63/36/1066626336.db2.gz XZHWNLHNWAPSQX-USDTVRPUSA-N 0 0 674.573 4.674 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408818479 1066626381 /nfs/dbraw/zinc/62/63/81/1066626381.db2.gz YCYVKNNCFRVBST-OBDCIHEFSA-N 0 0 597.668 4.787 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408818481 1066626372 /nfs/dbraw/zinc/62/63/72/1066626372.db2.gz YCYVKNNCFRVBST-SJXDCSIJSA-N 0 0 597.668 4.787 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408818769 1066239276 /nfs/dbraw/zinc/23/92/76/1066239276.db2.gz QOANXDRCIAVYMP-LMKKRCETSA-N 0 0 599.506 4.710 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408818772 1066625628 /nfs/dbraw/zinc/62/56/28/1066625628.db2.gz QOANXDRCIAVYMP-YMWOEAMWSA-N 0 0 599.506 4.710 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(O)c(OCC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)cc1OC ZINC000408818796 1066625617 /nfs/dbraw/zinc/62/56/17/1066625617.db2.gz OXJQJPJQIYRDBD-PKYOQBLNSA-N 0 0 674.573 4.761 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(O)c(OCC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)cc1OC ZINC000408818799 1066625513 /nfs/dbraw/zinc/62/55/13/1066625513.db2.gz OXJQJPJQIYRDBD-USDTVRPUSA-N 0 0 674.573 4.761 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408819676 1066625027 /nfs/dbraw/zinc/62/50/27/1066625027.db2.gz RDECSUPUXLCVJA-FWESEHMYSA-N 0 0 689.584 4.736 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408819677 1066240676 /nfs/dbraw/zinc/24/06/76/1066240676.db2.gz RDECSUPUXLCVJA-OINPTKSXSA-N 0 0 689.584 4.736 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1OC ZINC000408819689 1066624923 /nfs/dbraw/zinc/62/49/23/1066624923.db2.gz RFUUPANSRFPVEN-OBDCIHEFSA-N 0 0 688.600 4.983 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1OC ZINC000408819690 1066624901 /nfs/dbraw/zinc/62/49/01/1066624901.db2.gz RFUUPANSRFPVEN-SJXDCSIJSA-N 0 0 688.600 4.983 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408819780 1066624835 /nfs/dbraw/zinc/62/48/35/1066624835.db2.gz SYCKJLVWRWQPEA-OBDCIHEFSA-N 0 0 674.175 4.964 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408819783 1066624945 /nfs/dbraw/zinc/62/49/45/1066624945.db2.gz SYCKJLVWRWQPEA-SJXDCSIJSA-N 0 0 674.175 4.964 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408820141 1066625055 /nfs/dbraw/zinc/62/50/55/1066625055.db2.gz VNWFDGGBVYFCPP-QYTZQGLJSA-N 0 0 584.097 4.938 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408820144 1066624821 /nfs/dbraw/zinc/62/48/21/1066624821.db2.gz VNWFDGGBVYFCPP-RBRLEXCSSA-N 0 0 584.097 4.938 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408820288 1066624780 /nfs/dbraw/zinc/62/47/80/1066624780.db2.gz WOTQHRHVZDRTRW-PKYOQBLNSA-N 0 0 630.122 4.652 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408820290 1066625014 /nfs/dbraw/zinc/62/50/14/1066625014.db2.gz WOTQHRHVZDRTRW-USDTVRPUSA-N 0 0 630.122 4.652 40 30 KJEBRN C#CCOc1c(Cl)cc([C@H]([C@H]2C(=O)CC(C)(C)C[C@H]2O)[C@@H]2C(=O)CC(C)(C)C[C@@H]2O)cc1OCC ZINC000408820391 1066240712 /nfs/dbraw/zinc/24/07/12/1066240712.db2.gz VTCXBOKXXVXKQN-GEWLNSOCSA-N 0 0 505.051 4.567 40 30 KJEBRN C#CCOc1c(Cl)cc(C([C@@H]2C(=O)CC(C)(C)C[C@@H]2O)[C@@H]2C(=O)CC(C)(C)C[C@@H]2O)cc1OCC ZINC000408820392 1066624215 /nfs/dbraw/zinc/62/42/15/1066624215.db2.gz VTCXBOKXXVXKQN-IYNDAXALSA-N 0 0 505.051 4.567 40 30 KJEBRN C#CCOc1c(Cl)cc([C@H]([C@@H]2C(=O)CC(C)(C)C[C@H]2O)[C@@H]2C(=O)CC(C)(C)C[C@@H]2O)cc1OCC ZINC000408820393 1066624294 /nfs/dbraw/zinc/62/42/94/1066624294.db2.gz VTCXBOKXXVXKQN-JESVRPNLSA-N 0 0 505.051 4.567 40 30 KJEBRN C#CCOc1c(Cl)cc([C@H]([C@H]2C(=O)CC(C)(C)C[C@@H]2O)[C@@H]2C(=O)CC(C)(C)C[C@@H]2O)cc1OCC ZINC000408820394 1066624339 /nfs/dbraw/zinc/62/43/39/1066624339.db2.gz VTCXBOKXXVXKQN-WAERYOPHSA-N 0 0 505.051 4.567 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408820794 1066241058 /nfs/dbraw/zinc/24/10/58/1066241058.db2.gz YURQZSHALNMONN-AQTBWJFISA-N 0 0 505.333 4.943 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408820952 1066624273 /nfs/dbraw/zinc/62/42/73/1066624273.db2.gz AVEOVNARQVKGNH-PKYOQBLNSA-N 0 0 549.652 4.557 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408820953 1066624165 /nfs/dbraw/zinc/62/41/65/1066624165.db2.gz AVEOVNARQVKGNH-USDTVRPUSA-N 0 0 549.652 4.557 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408820993 1066624313 /nfs/dbraw/zinc/62/43/13/1066624313.db2.gz BDUJAFVQTKRRMI-JLKMOJGBSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408820994 1066624332 /nfs/dbraw/zinc/62/43/32/1066624332.db2.gz BDUJAFVQTKRRMI-UNDLXJOSSA-N 0 0 579.678 4.648 40 30 KJEBRN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408821134 1066624175 /nfs/dbraw/zinc/62/41/75/1066624175.db2.gz CVJQRFZMXOXICV-ABBNRAPFSA-N 0 0 511.647 4.556 40 30 KJEBRN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408821135 1066624246 /nfs/dbraw/zinc/62/42/46/1066624246.db2.gz CVJQRFZMXOXICV-CSJROMOCSA-N 0 0 511.647 4.556 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCC#N)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408821214 1066624304 /nfs/dbraw/zinc/62/43/04/1066624304.db2.gz DVBDGJGXOZVTCH-RZXXJPOTSA-N 0 0 562.862 4.661 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408821215 1066624220 /nfs/dbraw/zinc/62/42/20/1066624220.db2.gz DVBDGJGXOZVTCH-XQJRBFNUSA-N 0 0 562.862 4.661 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408821385 1066623715 /nfs/dbraw/zinc/62/37/15/1066623715.db2.gz GXJJNCYDEZWHRS-IGSWSUAKSA-N 0 0 756.400 4.971 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408821386 1066623645 /nfs/dbraw/zinc/62/36/45/1066623645.db2.gz GXJJNCYDEZWHRS-YMSBRDKKSA-N 0 0 756.400 4.971 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(O)c(OCC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408821491 1066623800 /nfs/dbraw/zinc/62/38/00/1066623800.db2.gz ICMAVRHNCXSTCQ-HDFSHUSISA-N 0 0 644.547 4.753 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(O)c(OCC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408821492 1066623733 /nfs/dbraw/zinc/62/37/33/1066623733.db2.gz ICMAVRHNCXSTCQ-LAUBZIAYSA-N 0 0 644.547 4.753 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCC#N)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408821496 1066241286 /nfs/dbraw/zinc/24/12/86/1066241286.db2.gz IGAUSQAISFXCAY-RZXXJPOTSA-N 0 0 607.313 4.770 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408821497 1066623693 /nfs/dbraw/zinc/62/36/93/1066623693.db2.gz IGAUSQAISFXCAY-XQJRBFNUSA-N 0 0 607.313 4.770 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408821527 1066623742 /nfs/dbraw/zinc/62/37/42/1066623742.db2.gz IMVKUJGGHATVPF-HRIDGTDGSA-N 0 0 549.652 4.557 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408821528 1066623724 /nfs/dbraw/zinc/62/37/24/1066623724.db2.gz IMVKUJGGHATVPF-NULZLWRNSA-N 0 0 549.652 4.557 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCC#N)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408821567 1066241112 /nfs/dbraw/zinc/24/11/12/1066241112.db2.gz IYIOHARSOCSEOV-RZXXJPOTSA-N 0 0 654.313 4.612 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408821568 1066623752 /nfs/dbraw/zinc/62/37/52/1066623752.db2.gz IYIOHARSOCSEOV-XQJRBFNUSA-N 0 0 654.313 4.612 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC#N)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408821577 1066623638 /nfs/dbraw/zinc/62/36/38/1066623638.db2.gz JBZJJOQRGRBGMR-RZXXJPOTSA-N 0 0 651.764 4.879 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408821578 1066623815 /nfs/dbraw/zinc/62/38/15/1066623815.db2.gz JBZJJOQRGRBGMR-XQJRBFNUSA-N 0 0 651.764 4.879 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)cc(OC)c1O ZINC000408821908 1066241142 /nfs/dbraw/zinc/24/11/42/1066241142.db2.gz AHKRDMGGUORRIE-JLHDDXNDSA-N 0 0 595.721 4.942 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)cc(OC)c1O ZINC000408821909 1066623034 /nfs/dbraw/zinc/62/30/34/1066623034.db2.gz AHKRDMGGUORRIE-PYCBVSLESA-N 0 0 595.721 4.942 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408822050 1066622943 /nfs/dbraw/zinc/62/29/43/1066622943.db2.gz BAJMRXYREAPBMO-FUFNRSNVSA-N 0 0 600.096 4.911 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408822054 1066622903 /nfs/dbraw/zinc/62/29/03/1066622903.db2.gz BAJMRXYREAPBMO-PRLWALMFSA-N 0 0 600.096 4.911 40 30 KJEBRN C#CCOc1c(Cl)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408822654 1066622511 /nfs/dbraw/zinc/62/25/11/1066622511.db2.gz BQDWHEWKMZEEKO-AFHVAHMMSA-N 0 0 561.874 4.771 40 30 KJEBRN C#CCOc1c(Cl)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408822657 1066239826 /nfs/dbraw/zinc/23/98/26/1066239826.db2.gz BQDWHEWKMZEEKO-ZRELAVNMSA-N 0 0 561.874 4.771 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408822721 1066622486 /nfs/dbraw/zinc/62/24/86/1066622486.db2.gz LYVILCPQIMJZFI-MKWGYRPRSA-N 0 0 597.531 4.913 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408822726 1066240024 /nfs/dbraw/zinc/24/00/24/1066240024.db2.gz LYVILCPQIMJZFI-OCEWKHMESA-N 0 0 597.531 4.913 40 30 KJEBRN NS(=O)(=O)c1ccc(/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000408822801 1066622442 /nfs/dbraw/zinc/62/24/42/1066622442.db2.gz MFVRXCOQJURXGT-LQKURTRISA-N 0 0 544.054 4.722 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000408822940 1066240035 /nfs/dbraw/zinc/24/00/35/1066240035.db2.gz CWRAOANDXASVCX-XOYGFPHKSA-N 0 0 543.472 4.978 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000408822941 1066622582 /nfs/dbraw/zinc/62/25/82/1066622582.db2.gz CWRAOANDXASVCX-YJADQXIJSA-N 0 0 543.472 4.978 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408823155 1066239800 /nfs/dbraw/zinc/23/98/00/1066239800.db2.gz DXTGPPOSBFMHMX-QKSFETHESA-N 0 0 583.504 4.524 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408823156 1066621692 /nfs/dbraw/zinc/62/16/92/1066621692.db2.gz DXTGPPOSBFMHMX-ZDQFFALBSA-N 0 0 583.504 4.524 40 30 KJEBRN Cc1ccc(CN(Cc2ccc(/C=N/c3ccc(S(N)(=O)=O)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408823274 1066621705 /nfs/dbraw/zinc/62/17/05/1066621705.db2.gz NODLENDIWCSGPO-STBIYBPSSA-N 0 0 537.663 4.686 40 30 KJEBRN C=CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408823378 1066240048 /nfs/dbraw/zinc/24/00/48/1066240048.db2.gz FHQBRQKBGUJGHG-CVXGXVHTSA-N 0 0 554.668 4.915 40 30 KJEBRN C=CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408823379 1066239837 /nfs/dbraw/zinc/23/98/37/1066239837.db2.gz FHQBRQKBGUJGHG-ZIRCPPMYSA-N 0 0 554.668 4.915 40 30 KJEBRN C#CCOc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408823907 1066621301 /nfs/dbraw/zinc/62/13/01/1066621301.db2.gz GVXQYFVEGBQOQE-QCHPHUCNSA-N 0 0 630.358 4.644 40 30 KJEBRN C#CCOc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408823909 1066621344 /nfs/dbraw/zinc/62/13/44/1066621344.db2.gz GVXQYFVEGBQOQE-VZIOXZNFSA-N 0 0 630.358 4.644 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408824010 1066620746 /nfs/dbraw/zinc/62/07/46/1066620746.db2.gz GNRYFOAYMDHNHL-DDIUQFJASA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408824013 1066620686 /nfs/dbraw/zinc/62/06/86/1066620686.db2.gz GNRYFOAYMDHNHL-IMUCPKNRSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824176 1066620569 /nfs/dbraw/zinc/62/05/69/1066620569.db2.gz PZQKRSUYTYEFQE-OIUASMPBSA-N 0 0 572.690 4.981 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824177 1066620651 /nfs/dbraw/zinc/62/06/51/1066620651.db2.gz PZQKRSUYTYEFQE-QQMBNGEASA-N 0 0 572.690 4.981 40 30 KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408824190 1066620703 /nfs/dbraw/zinc/62/07/03/1066620703.db2.gz GFQJMERAUIVQFR-GJFKPFFXSA-N 0 0 518.038 4.592 40 30 KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408824191 1066620626 /nfs/dbraw/zinc/62/06/26/1066620626.db2.gz GFQJMERAUIVQFR-LWUPDDLQSA-N 0 0 518.038 4.592 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(C#N)cc4)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408824220 1066620618 /nfs/dbraw/zinc/62/06/18/1066620618.db2.gz GJHOXYPWPJNENC-FUFNRSNVSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(C#N)cc4)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408824223 1066620556 /nfs/dbraw/zinc/62/05/56/1066620556.db2.gz GJHOXYPWPJNENC-PRLWALMFSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408824342 1066620724 /nfs/dbraw/zinc/62/07/24/1066620724.db2.gz IBQSUXYZDMQKBA-JLKMOJGBSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408824344 1066620599 /nfs/dbraw/zinc/62/05/99/1066620599.db2.gz IBQSUXYZDMQKBA-UNDLXJOSSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408824421 1066619809 /nfs/dbraw/zinc/61/98/09/1066619809.db2.gz HODPLEQMTBTUDY-FUFNRSNVSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408824424 1066620018 /nfs/dbraw/zinc/62/00/18/1066620018.db2.gz HODPLEQMTBTUDY-PRLWALMFSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408824576 1066619960 /nfs/dbraw/zinc/61/99/60/1066619960.db2.gz REESXWFDXBSKON-FUFNRSNVSA-N 0 0 600.096 4.911 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408824577 1066619826 /nfs/dbraw/zinc/61/98/26/1066619826.db2.gz REESXWFDXBSKON-PRLWALMFSA-N 0 0 600.096 4.911 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4C#N)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408824583 1066619940 /nfs/dbraw/zinc/61/99/40/1066619940.db2.gz IFUWUYVTPAAZNG-FUFNRSNVSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4C#N)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408824585 1066620049 /nfs/dbraw/zinc/62/00/49/1066620049.db2.gz IFUWUYVTPAAZNG-PRLWALMFSA-N 0 0 570.070 4.902 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408825103 1066619513 /nfs/dbraw/zinc/61/95/13/1066619513.db2.gz RIQDSANQIVEPQS-IGSWSUAKSA-N 0 0 707.384 4.576 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408825106 1066619537 /nfs/dbraw/zinc/61/95/37/1066619537.db2.gz RIQDSANQIVEPQS-YMSBRDKKSA-N 0 0 707.384 4.576 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408825199 1066243193 /nfs/dbraw/zinc/24/31/93/1066243193.db2.gz RQVVGSWBRMDWQV-AFHVAHMMSA-N 0 0 744.776 4.673 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408825204 1066243160 /nfs/dbraw/zinc/24/31/60/1066243160.db2.gz RQVVGSWBRMDWQV-ZRELAVNMSA-N 0 0 744.776 4.673 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408825596 1066627864 /nfs/dbraw/zinc/62/78/64/1066627864.db2.gz KJQYKOOPSJZEBU-MKWGYRPRSA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408825600 1066243327 /nfs/dbraw/zinc/24/33/27/1066243327.db2.gz KJQYKOOPSJZEBU-OCEWKHMESA-N 0 0 627.557 4.921 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408825702 1066243091 /nfs/dbraw/zinc/24/30/91/1066243091.db2.gz FESMMLGEMMEOCA-VULFUBBASA-N 0 0 546.443 4.616 40 30 KJEBRN C#CCOc1c(I)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408825840 1066629576 /nfs/dbraw/zinc/62/95/76/1066629576.db2.gz JPQJYPLQBFECBW-AFHVAHMMSA-N 0 0 653.325 4.722 40 30 KJEBRN C#CCOc1c(I)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408825841 1066630242 /nfs/dbraw/zinc/63/02/42/1066630242.db2.gz JPQJYPLQBFECBW-ZRELAVNMSA-N 0 0 653.325 4.722 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)C1=O ZINC000408825883 1066630233 /nfs/dbraw/zinc/63/02/33/1066630233.db2.gz BDXYFFFFHMJLPJ-WSDLNYQXSA-N 0 0 572.376 4.858 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC ZINC000408825929 1066241198 /nfs/dbraw/zinc/24/11/98/1066241198.db2.gz BKKZNDXYKQNDLH-CNSVBDKNSA-N 0 0 655.876 4.777 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC ZINC000408825933 1066629464 /nfs/dbraw/zinc/62/94/64/1066629464.db2.gz BKKZNDXYKQNDLH-FNGUVFISSA-N 0 0 655.876 4.777 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408826012 1066629502 /nfs/dbraw/zinc/62/95/02/1066629502.db2.gz SJXXOJSEYTYFRS-MKWGYRPRSA-N 0 0 644.531 4.755 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408826014 1066241294 /nfs/dbraw/zinc/24/12/94/1066241294.db2.gz SJXXOJSEYTYFRS-OCEWKHMESA-N 0 0 644.531 4.755 40 30 KJEBRN CCOC(=O)C1=C(C)NC(=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C1=O ZINC000408826022 1066629603 /nfs/dbraw/zinc/62/96/03/1066629603.db2.gz CCZACPKSPJFVGZ-MFKUBSTISA-N 0 0 555.052 4.983 40 30 KJEBRN C#CCOc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408826115 1066241254 /nfs/dbraw/zinc/24/12/54/1066241254.db2.gz BPIFQNYFQCNGLX-QCHPHUCNSA-N 0 0 585.907 4.535 40 30 KJEBRN C#CCOc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408826119 1066241308 /nfs/dbraw/zinc/24/13/08/1066241308.db2.gz BPIFQNYFQCNGLX-VZIOXZNFSA-N 0 0 585.907 4.535 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408826169 1066629632 /nfs/dbraw/zinc/62/96/32/1066629632.db2.gz IUXFXVFSFWKRBI-OBDCIHEFSA-N 0 0 579.678 4.566 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408826172 1066629422 /nfs/dbraw/zinc/62/94/22/1066629422.db2.gz IUXFXVFSFWKRBI-SJXDCSIJSA-N 0 0 579.678 4.566 40 30 KJEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)C1=O ZINC000408826213 1066627054 /nfs/dbraw/zinc/62/70/54/1066627054.db2.gz CLUPQOUFWUKPBO-ZVHZXABRSA-N 0 0 541.025 4.906 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408826259 1066241778 /nfs/dbraw/zinc/24/17/78/1066241778.db2.gz LBUGOIUQIACFON-OWXSRONMSA-N 0 0 553.080 4.724 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408826262 1066241744 /nfs/dbraw/zinc/24/17/44/1066241744.db2.gz LBUGOIUQIACFON-ZMIGGIFCSA-N 0 0 553.080 4.724 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408826314 1066241851 /nfs/dbraw/zinc/24/18/51/1066241851.db2.gz BWQWVZPNIFDPLP-IMEWXKHHSA-N 0 0 631.346 4.534 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408826343 1066628992 /nfs/dbraw/zinc/62/89/92/1066628992.db2.gz BWQWVZPNIFDPLP-WVWKGNOCSA-N 0 0 631.346 4.534 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408826425 1066629543 /nfs/dbraw/zinc/62/95/43/1066629543.db2.gz JHUAEGNRZVTMSB-PKYOQBLNSA-N 0 0 549.652 4.557 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408826430 1066629651 /nfs/dbraw/zinc/62/96/51/1066629651.db2.gz JHUAEGNRZVTMSB-USDTVRPUSA-N 0 0 549.652 4.557 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408826661 1066628917 /nfs/dbraw/zinc/62/89/17/1066628917.db2.gz KIRCRAVSYZDWPO-QCHPHUCNSA-N 0 0 603.922 4.788 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408826663 1066629081 /nfs/dbraw/zinc/62/90/81/1066629081.db2.gz KIRCRAVSYZDWPO-VZIOXZNFSA-N 0 0 603.922 4.788 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408826751 1066629057 /nfs/dbraw/zinc/62/90/57/1066629057.db2.gz CVNCPCBJDMIZJQ-JKALPCAWSA-N 0 0 626.838 4.659 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408826755 1066241724 /nfs/dbraw/zinc/24/17/24/1066241724.db2.gz CVNCPCBJDMIZJQ-SQWSFHKJSA-N 0 0 626.838 4.659 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(C#N)cc4)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408826800 1066628321 /nfs/dbraw/zinc/62/83/21/1066628321.db2.gz KXBDEQYQQUMEED-PKYOQBLNSA-N 0 0 549.652 4.557 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(C#N)cc4)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408826801 1066628399 /nfs/dbraw/zinc/62/83/99/1066628399.db2.gz KXBDEQYQQUMEED-USDTVRPUSA-N 0 0 549.652 4.557 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408826838 1066628316 /nfs/dbraw/zinc/62/83/16/1066628316.db2.gz KZMWUTRLIDKKAF-QCHPHUCNSA-N 0 0 650.922 4.630 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408826843 1066241708 /nfs/dbraw/zinc/24/17/08/1066241708.db2.gz KZMWUTRLIDKKAF-VZIOXZNFSA-N 0 0 650.922 4.630 40 30 KJEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408826897 1066241988 /nfs/dbraw/zinc/24/19/88/1066241988.db2.gz LEVVORNOAMCFQK-QCHPHUCNSA-N 0 0 543.472 4.978 40 30 KJEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408826900 1066241924 /nfs/dbraw/zinc/24/19/24/1066241924.db2.gz LEVVORNOAMCFQK-VZIOXZNFSA-N 0 0 543.472 4.978 40 30 KJEBRN C#CCOc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408826997 1066628365 /nfs/dbraw/zinc/62/83/65/1066628365.db2.gz KADYCFGQAGNSGH-IGSWSUAKSA-N 0 0 660.384 4.734 40 30 KJEBRN C#CCOc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408827000 1066241971 /nfs/dbraw/zinc/24/19/71/1066241971.db2.gz KADYCFGQAGNSGH-YMSBRDKKSA-N 0 0 660.384 4.734 40 30 KJEBRN C#CCn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c2ccccc21 ZINC000408827355 1066644176 /nfs/dbraw/zinc/64/41/76/1066644176.db2.gz JGPRJWCBSIQEHX-DLBLZJNESA-N 0 0 584.019 4.890 40 30 KJEBRN C#CCn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c2ccccc21 ZINC000408827360 1066644111 /nfs/dbraw/zinc/64/41/11/1066644111.db2.gz JGPRJWCBSIQEHX-FCKOQQNDSA-N 0 0 584.019 4.890 40 30 KJEBRN NS(=O)(=O)c1ccc(/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1 ZINC000408828130 1066643583 /nfs/dbraw/zinc/64/35/83/1066643583.db2.gz LOJZKXLOEIFBCC-LQKURTRISA-N 0 0 544.054 4.722 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408828131 1066643711 /nfs/dbraw/zinc/64/37/11/1066643711.db2.gz LOMRMZMIOGZOFT-DDIUQFJASA-N 0 0 593.705 4.956 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408828135 1066643649 /nfs/dbraw/zinc/64/36/49/1066643649.db2.gz LOMRMZMIOGZOFT-IMUCPKNRSA-N 0 0 593.705 4.956 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408828432 1066643604 /nfs/dbraw/zinc/64/36/04/1066643604.db2.gz DYJNCWUFVAVPOM-PKYOQBLNSA-N 0 0 549.652 4.557 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408828433 1066643705 /nfs/dbraw/zinc/64/37/05/1066643705.db2.gz DYJNCWUFVAVPOM-USDTVRPUSA-N 0 0 549.652 4.557 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 ZINC000408828663 1066642850 /nfs/dbraw/zinc/64/28/50/1066642850.db2.gz IMVLNNBJSJKZMN-ZMOGYAJESA-N 0 0 534.388 4.566 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC#N)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408828762 1066243681 /nfs/dbraw/zinc/24/36/81/1066243681.db2.gz MEOKPLBDDMURTE-AFHVAHMMSA-N 0 0 631.346 4.534 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC#N)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408828765 1066642766 /nfs/dbraw/zinc/64/27/66/1066642766.db2.gz MEOKPLBDDMURTE-ZRELAVNMSA-N 0 0 631.346 4.534 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1[N+](=O)[O-] ZINC000408829113 1066642166 /nfs/dbraw/zinc/64/21/66/1066642166.db2.gz KOLQITBOJQWNSZ-JKALPCAWSA-N 0 0 670.847 4.677 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1[N+](=O)[O-] ZINC000408829120 1066642272 /nfs/dbraw/zinc/64/22/72/1066642272.db2.gz KOLQITBOJQWNSZ-SQWSFHKJSA-N 0 0 670.847 4.677 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408829359 1066642262 /nfs/dbraw/zinc/64/22/62/1066642262.db2.gz NREZKEMOUARICW-XOYGFPHKSA-N 0 0 630.358 4.644 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408829361 1066642252 /nfs/dbraw/zinc/64/22/52/1066642252.db2.gz NREZKEMOUARICW-YJADQXIJSA-N 0 0 630.358 4.644 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408829626 1066642287 /nfs/dbraw/zinc/64/22/87/1066642287.db2.gz OHAKFTBADYHCDS-PKYOQBLNSA-N 0 0 579.678 4.566 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408829627 1066642159 /nfs/dbraw/zinc/64/21/59/1066642159.db2.gz OHAKFTBADYHCDS-USDTVRPUSA-N 0 0 579.678 4.566 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC ZINC000408829661 1066642124 /nfs/dbraw/zinc/64/21/24/1066642124.db2.gz LONJCOXZTLFSGM-CNSVBDKNSA-N 0 0 702.876 4.619 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC ZINC000408829670 1066243759 /nfs/dbraw/zinc/24/37/59/1066243759.db2.gz LONJCOXZTLFSGM-FNGUVFISSA-N 0 0 702.876 4.619 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408829742 1066641402 /nfs/dbraw/zinc/64/14/02/1066641402.db2.gz GBUZIHVLOKZBQK-CVGPFBNFSA-N 0 0 573.896 4.779 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408829750 1066641508 /nfs/dbraw/zinc/64/15/08/1066641508.db2.gz GBUZIHVLOKZBQK-LJJBLSSYSA-N 0 0 573.896 4.779 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408829912 1066641455 /nfs/dbraw/zinc/64/14/55/1066641455.db2.gz RBUHWAOEUAYNAQ-DHRITJCHSA-N 0 0 507.381 4.797 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408829917 1066641498 /nfs/dbraw/zinc/64/14/98/1066641498.db2.gz XSSTWVRFNJMDFR-PKYOQBLNSA-N 0 0 579.678 4.566 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408829921 1066641527 /nfs/dbraw/zinc/64/15/27/1066641527.db2.gz XSSTWVRFNJMDFR-USDTVRPUSA-N 0 0 579.678 4.566 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C(F)(F)F)N=2 ZINC000408830333 1066641057 /nfs/dbraw/zinc/64/10/57/1066641057.db2.gz MFFKQBUYMXMZFO-CKNGIZQFSA-N 0 0 548.970 4.559 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C(F)(F)F)N=2 ZINC000408830337 1066640943 /nfs/dbraw/zinc/64/09/43/1066640943.db2.gz MFFKQBUYMXMZFO-CURYZJDOSA-N 0 0 548.970 4.559 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cn(CC#N)c5ccccc45)c(=O)n32)cc1 ZINC000408830352 1066641409 /nfs/dbraw/zinc/64/14/09/1066641409.db2.gz PEHFYRONARIPMP-DDIUQFJASA-N 0 0 587.705 4.978 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cn(CC#N)c5ccccc45)c(=O)n32)cc1 ZINC000408830362 1066243736 /nfs/dbraw/zinc/24/37/36/1066243736.db2.gz PEHFYRONARIPMP-IMUCPKNRSA-N 0 0 587.705 4.978 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408830396 1066243700 /nfs/dbraw/zinc/24/37/00/1066243700.db2.gz ROVXIXLUYITRRZ-WYMPLXKRSA-N 0 0 554.806 4.911 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1 ZINC000408831009 1066640266 /nfs/dbraw/zinc/64/02/66/1066640266.db2.gz URHOKBGMZMIBER-LUDQZLGDSA-N 0 0 548.970 4.559 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1 ZINC000408831013 1066640213 /nfs/dbraw/zinc/64/02/13/1066640213.db2.gz URHOKBGMZMIBER-PHJXOXRPSA-N 0 0 548.970 4.559 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC#N)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408831225 1066640226 /nfs/dbraw/zinc/64/02/26/1066640226.db2.gz QGCHKYKLSWIVKH-MGSPXPDISA-N 0 0 769.399 4.697 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC#N)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408831228 1066640195 /nfs/dbraw/zinc/64/01/95/1066640195.db2.gz QGCHKYKLSWIVKH-XPCGLTFESA-N 0 0 769.399 4.697 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000408831292 1066639631 /nfs/dbraw/zinc/63/96/31/1066639631.db2.gz QNJGOYSYOQKXJQ-XSZPGNIMSA-N 0 0 585.509 4.904 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000408831298 1066640351 /nfs/dbraw/zinc/64/03/51/1066640351.db2.gz QNJGOYSYOQKXJQ-XXMKCSCWSA-N 0 0 585.509 4.904 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)C1=O ZINC000408831515 1066639539 /nfs/dbraw/zinc/63/95/39/1066639539.db2.gz QXPMUVZRYZURSI-LPYMAVHISA-N 0 0 554.386 4.719 40 30 KJEBRN C#CCOc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408831548 1066639610 /nfs/dbraw/zinc/63/96/10/1066639610.db2.gz QYUSGWVNPMMPPN-AFHVAHMMSA-N 0 0 650.776 4.989 40 30 KJEBRN C#CCOc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408831557 1066639525 /nfs/dbraw/zinc/63/95/25/1066639525.db2.gz QYUSGWVNPMMPPN-ZRELAVNMSA-N 0 0 650.776 4.989 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(Br)cc1OC ZINC000408831643 1066639064 /nfs/dbraw/zinc/63/90/64/1066639064.db2.gz ZYHQAFRRJFLRAX-KOBOZNMDSA-N 0 0 689.584 4.736 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(Br)cc1OC ZINC000408831647 1066244341 /nfs/dbraw/zinc/24/43/41/1066244341.db2.gz ZYHQAFRRJFLRAX-OGEXXFCLSA-N 0 0 689.584 4.736 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408831652 1066639600 /nfs/dbraw/zinc/63/96/00/1066639600.db2.gz HBIROGGGTZQCQJ-JLKMOJGBSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408831658 1066639607 /nfs/dbraw/zinc/63/96/07/1066639607.db2.gz HBIROGGGTZQCQJ-UNDLXJOSSA-N 0 0 609.704 4.656 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c1 ZINC000408831952 1066633003 /nfs/dbraw/zinc/63/30/03/1066633003.db2.gz WKFYTMSACYUYEF-LUDQZLGDSA-N 0 0 548.970 4.559 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c1 ZINC000408831953 1066632889 /nfs/dbraw/zinc/63/28/89/1066632889.db2.gz WKFYTMSACYUYEF-PHJXOXRPSA-N 0 0 548.970 4.559 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408832022 1066632343 /nfs/dbraw/zinc/63/23/43/1066632343.db2.gz QWNJTZYTYWNSIS-QCHPHUCNSA-N 0 0 661.372 4.624 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC#N)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408832024 1066632401 /nfs/dbraw/zinc/63/24/01/1066632401.db2.gz QWNJTZYTYWNSIS-VZIOXZNFSA-N 0 0 661.372 4.624 40 30 KJEBRN C#CCOc1c(Cl)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408832254 1066639024 /nfs/dbraw/zinc/63/90/24/1066639024.db2.gz RSZKHDHQAWSYIX-IGSWSUAKSA-N 0 0 571.482 4.516 40 30 KJEBRN C#CCOc1c(Cl)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408832258 1066639090 /nfs/dbraw/zinc/63/90/90/1066639090.db2.gz RSZKHDHQAWSYIX-YMSBRDKKSA-N 0 0 571.482 4.516 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)C1=O ZINC000408832548 1066638369 /nfs/dbraw/zinc/63/83/69/1066638369.db2.gz ZMDSVGIMQPEBPW-ZVHZXABRSA-N 0 0 541.025 4.906 40 30 KJEBRN C#CCOc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408832769 1066637724 /nfs/dbraw/zinc/63/77/24/1066637724.db2.gz IYSBAVQPKXFVQJ-IGSWSUAKSA-N 0 0 615.933 4.625 40 30 KJEBRN C#CCOc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408832770 1066637677 /nfs/dbraw/zinc/63/76/77/1066637677.db2.gz IYSBAVQPKXFVQJ-YMSBRDKKSA-N 0 0 615.933 4.625 40 30 KJEBRN C=CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408833052 1066637313 /nfs/dbraw/zinc/63/73/13/1066637313.db2.gz SSMDNYIKXAZDRD-FHMSYZJOSA-N 0 0 524.642 4.825 40 30 KJEBRN C=CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408833057 1066637255 /nfs/dbraw/zinc/63/72/55/1066637255.db2.gz SSMDNYIKXAZDRD-OXWVMCNISA-N 0 0 524.642 4.825 40 30 KJEBRN C=CCOc1c(I)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408833062 1066637233 /nfs/dbraw/zinc/63/72/33/1066637233.db2.gz RKONOOKSHPFKBT-QCHPHUCNSA-N 0 0 634.923 4.930 40 30 KJEBRN C=CCOc1c(I)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408833067 1066637277 /nfs/dbraw/zinc/63/72/77/1066637277.db2.gz RKONOOKSHPFKBT-VZIOXZNFSA-N 0 0 634.923 4.930 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408833345 1066244912 /nfs/dbraw/zinc/24/49/12/1066244912.db2.gz JKKODXLOBKFCOR-QCHPHUCNSA-N 0 0 616.921 4.515 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCC#N)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408833347 1066245051 /nfs/dbraw/zinc/24/50/51/1066245051.db2.gz JKKODXLOBKFCOR-VZIOXZNFSA-N 0 0 616.921 4.515 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC#N)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408833411 1066637317 /nfs/dbraw/zinc/63/73/17/1066637317.db2.gz JZYAIQSZHYWUPX-MGSPXPDISA-N 0 0 586.497 4.795 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC#N)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408833412 1066637281 /nfs/dbraw/zinc/63/72/81/1066637281.db2.gz JZYAIQSZHYWUPX-XPCGLTFESA-N 0 0 586.497 4.795 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408833972 1066632379 /nfs/dbraw/zinc/63/23/79/1066632379.db2.gz UCRWVEFTKXGUEA-GTWFGUSFSA-N 0 0 544.032 4.507 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408833973 1066632285 /nfs/dbraw/zinc/63/22/85/1066632285.db2.gz UCRWVEFTKXGUEA-SJJVXOANSA-N 0 0 544.032 4.507 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408834123 1066636622 /nfs/dbraw/zinc/63/66/22/1066636622.db2.gz LAWTUCWCMPIUAP-CMISJSSVSA-N 0 0 543.044 4.617 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408834127 1066246224 /nfs/dbraw/zinc/24/62/24/1066246224.db2.gz LAWTUCWCMPIUAP-DBXPASCUSA-N 0 0 543.044 4.617 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408834228 1066636562 /nfs/dbraw/zinc/63/65/62/1066636562.db2.gz UBKIHCJLFZSFMJ-MGSPXPDISA-N 0 0 630.948 4.904 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408834235 1066199376 /nfs/dbraw/zinc/19/93/76/1066199376.db2.gz UBKIHCJLFZSFMJ-XPCGLTFESA-N 0 0 630.948 4.904 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408834314 1066636519 /nfs/dbraw/zinc/63/65/19/1066636519.db2.gz UINLWYFVIWTYFY-ITNPZBTBSA-N 0 0 579.678 4.566 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408834316 1066636658 /nfs/dbraw/zinc/63/66/58/1066636658.db2.gz UINLWYFVIWTYFY-UAMLYEQYSA-N 0 0 579.678 4.566 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1Br ZINC000408834409 1066246794 /nfs/dbraw/zinc/24/67/94/1066246794.db2.gz ZENYFTDPLFTUAQ-CNSVBDKNSA-N 0 0 625.850 4.769 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1Br ZINC000408834410 1066636061 /nfs/dbraw/zinc/63/60/61/1066636061.db2.gz ZENYFTDPLFTUAQ-FNGUVFISSA-N 0 0 625.850 4.769 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408834573 1066631726 /nfs/dbraw/zinc/63/17/26/1066631726.db2.gz WNWUYYKGQAQSIF-IVQFASICSA-N 0 0 572.690 4.981 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408834576 1066631605 /nfs/dbraw/zinc/63/16/05/1066631605.db2.gz WNWUYYKGQAQSIF-SELCLYCASA-N 0 0 572.690 4.981 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408834586 1066631579 /nfs/dbraw/zinc/63/15/79/1066631579.db2.gz WOVLKBFJRAXJMK-VLOXRPPESA-N 0 0 618.893 4.687 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408834589 1066246846 /nfs/dbraw/zinc/24/68/46/1066246846.db2.gz WOVLKBFJRAXJMK-WLJFKGHSSA-N 0 0 618.893 4.687 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408834595 1066246946 /nfs/dbraw/zinc/24/69/46/1066246946.db2.gz LJSVAKAAPFRYHV-AFHVAHMMSA-N 0 0 697.776 4.831 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408834598 1066631609 /nfs/dbraw/zinc/63/16/09/1066631609.db2.gz LJSVAKAAPFRYHV-ZRELAVNMSA-N 0 0 697.776 4.831 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408834659 1066635997 /nfs/dbraw/zinc/63/59/97/1066635997.db2.gz UWPIHKXKLUWSLU-XSZPGNIMSA-N 0 0 721.411 4.965 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408834662 1066635931 /nfs/dbraw/zinc/63/59/31/1066635931.db2.gz UWPIHKXKLUWSLU-XXMKCSCWSA-N 0 0 721.411 4.965 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408834727 1066635990 /nfs/dbraw/zinc/63/59/90/1066635990.db2.gz WYUPKAIQHWGHPN-GTWFGUSFSA-N 0 0 674.557 4.764 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408834732 1066636042 /nfs/dbraw/zinc/63/60/42/1066636042.db2.gz WYUPKAIQHWGHPN-SJJVXOANSA-N 0 0 674.557 4.764 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408834736 1066636075 /nfs/dbraw/zinc/63/60/75/1066636075.db2.gz VDDKRBCTNIRNGT-XSZPGNIMSA-N 0 0 768.411 4.807 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408834739 1066635965 /nfs/dbraw/zinc/63/59/65/1066635965.db2.gz VDDKRBCTNIRNGT-XXMKCSCWSA-N 0 0 768.411 4.807 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408834856 1066636019 /nfs/dbraw/zinc/63/60/19/1066636019.db2.gz XCQBQKRGDZXKFN-JLKMOJGBSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408834858 1066635971 /nfs/dbraw/zinc/63/59/71/1066635971.db2.gz XCQBQKRGDZXKFN-UNDLXJOSSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408834904 1066635982 /nfs/dbraw/zinc/63/59/82/1066635982.db2.gz WFBSTADZJQEIFS-FUFNRSNVSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408834907 1066636033 /nfs/dbraw/zinc/63/60/33/1066636033.db2.gz WFBSTADZJQEIFS-PRLWALMFSA-N 0 0 570.070 4.902 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408834923 1066246774 /nfs/dbraw/zinc/24/67/74/1066246774.db2.gz VMVXSXSOMBCETK-QKSFETHESA-N 0 0 597.531 4.833 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408834926 1066246926 /nfs/dbraw/zinc/24/69/26/1066246926.db2.gz VMVXSXSOMBCETK-ZDQFFALBSA-N 0 0 597.531 4.833 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408835004 1066631597 /nfs/dbraw/zinc/63/15/97/1066631597.db2.gz VTYMSQUHUQZKBU-MGSPXPDISA-N 0 0 722.399 4.855 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408835008 1066631648 /nfs/dbraw/zinc/63/16/48/1066631648.db2.gz VTYMSQUHUQZKBU-XPCGLTFESA-N 0 0 722.399 4.855 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4C#N)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408835253 1066634949 /nfs/dbraw/zinc/63/49/49/1066634949.db2.gz YCWBCJQKOUHSCJ-PKYOQBLNSA-N 0 0 549.652 4.557 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4C#N)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408835255 1066635449 /nfs/dbraw/zinc/63/54/49/1066635449.db2.gz YCWBCJQKOUHSCJ-USDTVRPUSA-N 0 0 549.652 4.557 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408835392 1066246691 /nfs/dbraw/zinc/24/66/91/1066246691.db2.gz YRCIDYSRNYCAQF-XOYGFPHKSA-N 0 0 585.907 4.535 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408835393 1066630820 /nfs/dbraw/zinc/63/08/20/1066630820.db2.gz YRCIDYSRNYCAQF-YJADQXIJSA-N 0 0 585.907 4.535 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC#N)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408835441 1066630793 /nfs/dbraw/zinc/63/07/93/1066630793.db2.gz YTAXZFDMOOIUOE-RZXXJPOTSA-N 0 0 698.764 4.721 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408835444 1066247566 /nfs/dbraw/zinc/24/75/66/1066247566.db2.gz YTAXZFDMOOIUOE-XQJRBFNUSA-N 0 0 698.764 4.721 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408835449 1066247598 /nfs/dbraw/zinc/24/75/98/1066247598.db2.gz WZZUYRXBKSTLQI-GJFKPFFXSA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408835454 1066247628 /nfs/dbraw/zinc/24/76/28/1066247628.db2.gz WZZUYRXBKSTLQI-LWUPDDLQSA-N 0 0 613.530 4.533 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408835559 1066630945 /nfs/dbraw/zinc/63/09/45/1066630945.db2.gz NVHDCPSBOAFQGX-FUFNRSNVSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408835560 1066630815 /nfs/dbraw/zinc/63/08/15/1066630815.db2.gz NVHDCPSBOAFQGX-PRLWALMFSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408836010 1066630870 /nfs/dbraw/zinc/63/08/70/1066630870.db2.gz PEEJLFBZBBFSJF-RZXXJPOTSA-N 0 0 745.764 4.563 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408836011 1066247358 /nfs/dbraw/zinc/24/73/58/1066247358.db2.gz PEEJLFBZBBFSJF-XQJRBFNUSA-N 0 0 745.764 4.563 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408836052 1066630833 /nfs/dbraw/zinc/63/08/33/1066630833.db2.gz POIWOHZNPJYGRP-VPHSIRQSSA-N 0 0 600.096 4.911 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408836053 1066630755 /nfs/dbraw/zinc/63/07/55/1066630755.db2.gz POIWOHZNPJYGRP-YVBHXKDBSA-N 0 0 600.096 4.911 40 30 KJEBRN C=CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408836126 1066630278 /nfs/dbraw/zinc/63/02/78/1066630278.db2.gz ZJAWLJAGJNBXDA-CVGPFBNFSA-N 0 0 529.445 4.670 40 30 KJEBRN C=CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408836128 1066630247 /nfs/dbraw/zinc/63/02/47/1066630247.db2.gz ZJAWLJAGJNBXDA-LJJBLSSYSA-N 0 0 529.445 4.670 40 30 KJEBRN C#CCOc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408836130 1066630747 /nfs/dbraw/zinc/63/07/47/1066630747.db2.gz ZJBLDBLTOFJMJM-AFHVAHMMSA-N 0 0 606.325 4.880 40 30 KJEBRN C#CCOc1c(Br)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C(C(=O)OCC)=C(C)N=2 ZINC000408836132 1066630937 /nfs/dbraw/zinc/63/09/37/1066630937.db2.gz ZJBLDBLTOFJMJM-ZRELAVNMSA-N 0 0 606.325 4.880 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408836425 1066634021 /nfs/dbraw/zinc/63/40/21/1066634021.db2.gz RBBAKZKXNQJTFK-MRWVFDTMSA-N 0 0 593.705 4.956 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408836426 1066634088 /nfs/dbraw/zinc/63/40/88/1066634088.db2.gz RBBAKZKXNQJTFK-NBQDTTAVSA-N 0 0 593.705 4.956 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(C#N)cc4)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408836482 1066634107 /nfs/dbraw/zinc/63/41/07/1066634107.db2.gz RQRLIYBSZXYTCZ-JLKMOJGBSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(C#N)cc4)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408836483 1066634070 /nfs/dbraw/zinc/63/40/70/1066634070.db2.gz RQRLIYBSZXYTCZ-UNDLXJOSSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408836723 1066630225 /nfs/dbraw/zinc/63/02/25/1066630225.db2.gz USEUHFGLQDKEJZ-JLKMOJGBSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408836724 1066630252 /nfs/dbraw/zinc/63/02/52/1066630252.db2.gz USEUHFGLQDKEJZ-UNDLXJOSSA-N 0 0 609.704 4.656 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4C#N)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408836758 1066630293 /nfs/dbraw/zinc/63/02/93/1066630293.db2.gz VFMWCQXGRCEMES-JLKMOJGBSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4C#N)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408836759 1066630257 /nfs/dbraw/zinc/63/02/57/1066630257.db2.gz VFMWCQXGRCEMES-UNDLXJOSSA-N 0 0 579.678 4.648 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408836980 1066633759 /nfs/dbraw/zinc/63/37/59/1066633759.db2.gz XKOJXCOQLARAET-QKSFETHESA-N 0 0 644.531 4.675 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408836981 1066245445 /nfs/dbraw/zinc/24/54/45/1066245445.db2.gz XKOJXCOQLARAET-ZDQFFALBSA-N 0 0 644.531 4.675 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OCC ZINC000408837176 1066633639 /nfs/dbraw/zinc/63/36/39/1066633639.db2.gz ZQFMMIQHXKNPPW-NTWBUQQASA-N 0 0 546.689 4.633 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OCC ZINC000408837177 1066245749 /nfs/dbraw/zinc/24/57/49/1066245749.db2.gz ZQFMMIQHXKNPPW-XKGHIZKOSA-N 0 0 546.689 4.633 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)C1=O ZINC000408837533 1066649868 /nfs/dbraw/zinc/64/98/68/1066649868.db2.gz HYYGSMPVXUGUPV-LPYMAVHISA-N 0 0 547.416 4.942 40 30 KJEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)C1=O ZINC000408837626 1066649809 /nfs/dbraw/zinc/64/98/09/1066649809.db2.gz KCTCUFUFLVCREO-CVKSISIWSA-N 0 0 541.604 4.645 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408837641 1066649746 /nfs/dbraw/zinc/64/97/46/1066649746.db2.gz KKPKNBWQKSVNAY-ZMOGYAJESA-N 0 0 534.388 4.566 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)C1=O ZINC000408837809 1066649079 /nfs/dbraw/zinc/64/90/79/1066649079.db2.gz OBAAMMVBNROLPV-OEAKJJBVSA-N 0 0 526.998 4.597 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)C1=O ZINC000408837869 1066649102 /nfs/dbraw/zinc/64/91/02/1066649102.db2.gz PECSRONDNFBNNK-ZVHZXABRSA-N 0 0 547.995 4.682 40 30 KJEBRN COC(=O)C1=C(C)NC(=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C1=O ZINC000408838009 1066649213 /nfs/dbraw/zinc/64/92/13/1066649213.db2.gz QGTBOGJWCQUVID-YDZHTSKRSA-N 0 0 561.443 4.938 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC ZINC000408838023 1066649089 /nfs/dbraw/zinc/64/90/89/1066649089.db2.gz QNUFNVPZQFMYBV-FBHQFGEZSA-N 0 0 578.996 4.568 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC ZINC000408838024 1066649120 /nfs/dbraw/zinc/64/91/20/1066649120.db2.gz QNUFNVPZQFMYBV-PZHBDVNGSA-N 0 0 578.996 4.568 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408838653 1066648700 /nfs/dbraw/zinc/64/87/00/1066648700.db2.gz ZAGCFJCHYDRODM-LGJNPRDNSA-N 0 0 567.845 4.774 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)C1=O ZINC000408839553 1066648042 /nfs/dbraw/zinc/64/80/42/1066648042.db2.gz AMUFHUFJQJNDBU-ZVHZXABRSA-N 0 0 592.446 4.791 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC ZINC000408839939 1066247614 /nfs/dbraw/zinc/24/76/14/1066247614.db2.gz DJMJQTNDXLOOBL-CNSVBDKNSA-N 0 0 611.425 4.668 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1OC ZINC000408839940 1066247623 /nfs/dbraw/zinc/24/76/23/1066247623.db2.gz DJMJQTNDXLOOBL-FNGUVFISSA-N 0 0 611.425 4.668 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(I)c(O)c(OCC)c1 ZINC000408841354 1066648111 /nfs/dbraw/zinc/64/81/11/1066648111.db2.gz GLPFONJPIAEZLZ-IBGZPJMESA-N 0 0 531.346 4.527 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(I)c(O)c(OCC)c1 ZINC000408841358 1066648169 /nfs/dbraw/zinc/64/81/69/1066648169.db2.gz GLPFONJPIAEZLZ-LJQANCHMSA-N 0 0 531.346 4.527 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(I)c(OC)c(OCC)c1 ZINC000408841513 1066647535 /nfs/dbraw/zinc/64/75/35/1066647535.db2.gz JMRLCFMQPULBNM-FQEVSTJZSA-N 0 0 545.373 4.830 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(I)c(OC)c(OCC)c1 ZINC000408841515 1066647601 /nfs/dbraw/zinc/64/76/01/1066647601.db2.gz JMRLCFMQPULBNM-HXUWFJFHSA-N 0 0 545.373 4.830 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000408842535 1066646954 /nfs/dbraw/zinc/64/69/54/1066646954.db2.gz QAGMOZYLNBVIJR-LPYMAVHISA-N 0 0 554.386 4.719 40 30 KJEBRN C#CCOc1c(Br)cc([C@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1OCC ZINC000408842636 1066646938 /nfs/dbraw/zinc/64/69/38/1066646938.db2.gz PIEDRRHDWLUCQH-JOCHJYFZSA-N 0 0 522.395 4.991 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1OCC ZINC000408842638 1066647001 /nfs/dbraw/zinc/64/70/01/1066647001.db2.gz PIEDRRHDWLUCQH-QFIPXVFZSA-N 0 0 522.395 4.991 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n32)cc1 ZINC000408842780 1066646984 /nfs/dbraw/zinc/64/69/84/1066646984.db2.gz BHGYYSMBHMOQMI-MBXGISOLSA-N 0 0 516.663 4.661 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n32)cc1 ZINC000408842784 1066248015 /nfs/dbraw/zinc/24/80/15/1066248015.db2.gz BHGYYSMBHMOQMI-OKGRRGNVSA-N 0 0 516.663 4.661 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408843313 1066250083 /nfs/dbraw/zinc/25/00/83/1066250083.db2.gz FJUUMWPDZXRBSZ-CZLAYTOTSA-N 0 0 551.668 4.837 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408843318 1066250213 /nfs/dbraw/zinc/25/02/13/1066250213.db2.gz FJUUMWPDZXRBSZ-PCJRJIAFSA-N 0 0 551.668 4.837 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1OC ZINC000408844047 1066646186 /nfs/dbraw/zinc/64/61/86/1066646186.db2.gz OJMTUZACGONTOK-NRFANRHFSA-N 0 0 508.368 4.601 40 30 KJEBRN C#CCOc1c(Br)cc([C@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1OC ZINC000408844050 1066248862 /nfs/dbraw/zinc/24/88/62/1066248862.db2.gz OJMTUZACGONTOK-OAQYLSRUSA-N 0 0 508.368 4.601 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(I)c(OCC)c(I)c4)c(=O)n32)cc1 ZINC000408844178 1066646178 /nfs/dbraw/zinc/64/61/78/1066646178.db2.gz CLFMWJOWFAAWJZ-DLBLZJNESA-N 0 0 756.400 4.971 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(I)c(OCC)c(I)c4)c(=O)n32)cc1 ZINC000408844181 1066248892 /nfs/dbraw/zinc/24/88/92/1066248892.db2.gz CLFMWJOWFAAWJZ-FCKOQQNDSA-N 0 0 756.400 4.971 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408844284 1066646298 /nfs/dbraw/zinc/64/62/98/1066646298.db2.gz BVKIFVLZGQXPBP-ASZNLBCTSA-N 0 0 601.637 4.540 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408844287 1066248718 /nfs/dbraw/zinc/24/87/18/1066248718.db2.gz BVKIFVLZGQXPBP-YNMQQHPQSA-N 0 0 601.637 4.540 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4c(OC)ccc5ccccc54)c(=O)n32)cc1 ZINC000408844527 1066248709 /nfs/dbraw/zinc/24/87/09/1066248709.db2.gz DMZGBIWLWFVIMX-IAOUMNOZSA-N 0 0 540.641 4.525 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4c(OC)ccc5ccccc54)c(=O)n32)cc1 ZINC000408844532 1066646227 /nfs/dbraw/zinc/64/62/27/1066646227.db2.gz DMZGBIWLWFVIMX-RYOBIWAXSA-N 0 0 540.641 4.525 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCC)c(I)c1 ZINC000408844557 1066646312 /nfs/dbraw/zinc/64/63/12/1066646312.db2.gz UIADEKJZJMGSED-FQEVSTJZSA-N 0 0 515.347 4.821 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCC)c(I)c1 ZINC000408844559 1066646289 /nfs/dbraw/zinc/64/62/89/1066646289.db2.gz UIADEKJZJMGSED-HXUWFJFHSA-N 0 0 515.347 4.821 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1 ZINC000408844816 1066248819 /nfs/dbraw/zinc/24/88/19/1066248819.db2.gz FJMAXDTZHNXIFV-OBDCIHEFSA-N 0 0 672.672 4.980 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1 ZINC000408844821 1066645508 /nfs/dbraw/zinc/64/55/08/1066645508.db2.gz FJMAXDTZHNXIFV-SJXDCSIJSA-N 0 0 672.672 4.980 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(I)c(OCC)c(OC)c1 ZINC000408845058 1066645503 /nfs/dbraw/zinc/64/55/03/1066645503.db2.gz QGDVZKVXHLYMQX-FQEVSTJZSA-N 0 0 545.373 4.830 40 30 KJEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(I)c(OCC)c(OC)c1 ZINC000408845062 1066645673 /nfs/dbraw/zinc/64/56/73/1066645673.db2.gz QGDVZKVXHLYMQX-HXUWFJFHSA-N 0 0 545.373 4.830 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408845169 1066645543 /nfs/dbraw/zinc/64/55/43/1066645543.db2.gz LHMFJEWNBOGKTG-CMISJSSVSA-N 0 0 571.611 4.531 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408845172 1066645569 /nfs/dbraw/zinc/64/55/69/1066645569.db2.gz LHMFJEWNBOGKTG-DBXPASCUSA-N 0 0 571.611 4.531 40 30 KJEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(Br)cc(I)c2O)S1 ZINC000408845418 1066248726 /nfs/dbraw/zinc/24/87/26/1066248726.db2.gz GUIFWVDEEZPULA-CHHVJCJISA-N 0 0 545.196 4.968 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000408845441 1066645649 /nfs/dbraw/zinc/64/56/49/1066645649.db2.gz GXHWQHMZNKOFAE-CMISJSSVSA-N 0 0 571.611 4.531 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000408845444 1066645523 /nfs/dbraw/zinc/64/55/23/1066645523.db2.gz GXHWQHMZNKOFAE-DBXPASCUSA-N 0 0 571.611 4.531 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccn(-c5ccc(Cl)cc5)c4)c(=O)n32)cc1 ZINC000408845450 1066644958 /nfs/dbraw/zinc/64/49/58/1066644958.db2.gz NDFNVLKXXVZAEM-CMISJSSVSA-N 0 0 560.075 4.807 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccn(-c5ccc(Cl)cc5)c4)c(=O)n32)cc1 ZINC000408845455 1066644840 /nfs/dbraw/zinc/64/48/40/1066644840.db2.gz NDFNVLKXXVZAEM-DBXPASCUSA-N 0 0 560.075 4.807 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408845502 1066644882 /nfs/dbraw/zinc/64/48/82/1066644882.db2.gz FXPKMSVEQCPYPI-GTWFGUSFSA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408845504 1066248831 /nfs/dbraw/zinc/24/88/31/1066248831.db2.gz FXPKMSVEQCPYPI-SJJVXOANSA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cn(CC(=O)Nc5ccccc5)c5ccccc45)c(=O)n32)cc1 ZINC000408845991 1066644836 /nfs/dbraw/zinc/64/48/36/1066644836.db2.gz OIGOURIFOMOXBP-JOHYPREOSA-N 0 0 632.742 4.957 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cn(CC(=O)Nc5ccccc5)c5ccccc45)c(=O)n32)cc1 ZINC000408845996 1066644803 /nfs/dbraw/zinc/64/48/03/1066644803.db2.gz OIGOURIFOMOXBP-QZVQSRICSA-N 0 0 632.742 4.957 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408846094 1066644858 /nfs/dbraw/zinc/64/48/58/1066644858.db2.gz XKLVCLJSFCULAR-JKALPCAWSA-N 0 0 703.864 4.510 40 30 KJEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408846099 1066249639 /nfs/dbraw/zinc/24/96/39/1066249639.db2.gz XKLVCLJSFCULAR-SQWSFHKJSA-N 0 0 703.864 4.510 40 30 KJEBRN C=CCOc1c(I)cc([C@@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1OC ZINC000408846841 1066650594 /nfs/dbraw/zinc/65/05/94/1066650594.db2.gz ZHCIAXYMRFHUDY-NRFANRHFSA-N 0 0 557.384 4.996 40 30 KJEBRN C=CCOc1c(I)cc([C@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1OC ZINC000408846844 1066650529 /nfs/dbraw/zinc/65/05/29/1066650529.db2.gz ZHCIAXYMRFHUDY-OAQYLSRUSA-N 0 0 557.384 4.996 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408847000 1066649938 /nfs/dbraw/zinc/64/99/38/1066649938.db2.gz OPFVTQYHMXHFFU-CMISJSSVSA-N 0 0 571.611 4.531 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000408847001 1066649799 /nfs/dbraw/zinc/64/97/99/1066649799.db2.gz KYGASEBUOSCZNP-DDBFQISPSA-N 0 0 611.676 4.850 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408847004 1066649858 /nfs/dbraw/zinc/64/98/58/1066649858.db2.gz OPFVTQYHMXHFFU-DBXPASCUSA-N 0 0 571.611 4.531 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 ZINC000408847006 1066650500 /nfs/dbraw/zinc/65/05/00/1066650500.db2.gz KYGASEBUOSCZNP-WWWKDLBZSA-N 0 0 611.676 4.850 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(I)c(OC)c(I)c4)c(=O)n32)cc1 ZINC000408847342 1066650614 /nfs/dbraw/zinc/65/06/14/1066650614.db2.gz UEILKDSRYMSQQK-CVGPFBNFSA-N 0 0 742.373 4.581 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(I)c(OC)c(I)c4)c(=O)n32)cc1 ZINC000408847344 1066650513 /nfs/dbraw/zinc/65/05/13/1066650513.db2.gz UEILKDSRYMSQQK-LJJBLSSYSA-N 0 0 742.373 4.581 40 30 KJEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(I)c(O)c(OC)c2)S1 ZINC000408847364 1066658189 /nfs/dbraw/zinc/65/81/89/1066658189.db2.gz UKVREELTQBCZAV-CHHVJCJISA-N 0 0 516.744 4.559 40 30 KJEBRN CC/N=C1\S/C(=C\c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)C(=O)N1CC ZINC000408847486 1066249490 /nfs/dbraw/zinc/24/94/90/1066249490.db2.gz NAIBLQNBIRYNEY-UNOWLLLOSA-N 0 0 518.433 4.787 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408847815 1066249313 /nfs/dbraw/zinc/24/93/13/1066249313.db2.gz VTSXQGXJCQWGSQ-GTWFGUSFSA-N 0 0 597.531 4.913 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408847817 1066657454 /nfs/dbraw/zinc/65/74/54/1066657454.db2.gz VTSXQGXJCQWGSQ-SJJVXOANSA-N 0 0 597.531 4.913 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1OCC ZINC000408848489 1066657412 /nfs/dbraw/zinc/65/74/12/1066657412.db2.gz VIQQNDIQJRVRNK-WQRHYEAKSA-N 0 0 523.380 4.820 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000408848642 1066657424 /nfs/dbraw/zinc/65/74/24/1066657424.db2.gz SBDQYMIYRYXKLF-HRIDGTDGSA-N 0 0 642.646 4.972 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000408848647 1066657548 /nfs/dbraw/zinc/65/75/48/1066657548.db2.gz SBDQYMIYRYXKLF-NULZLWRNSA-N 0 0 642.646 4.972 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC)c(Br)c4)c(=O)n32)cc1 ZINC000408849165 1066656813 /nfs/dbraw/zinc/65/68/13/1066656813.db2.gz VIOKWEPGSXKASX-QKSFETHESA-N 0 0 583.504 4.524 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC)c(Br)c4)c(=O)n32)cc1 ZINC000408849169 1066656962 /nfs/dbraw/zinc/65/69/62/1066656962.db2.gz VIOKWEPGSXKASX-ZDQFFALBSA-N 0 0 583.504 4.524 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc(OC)cc5)cc4)c(=O)n32)cc1 ZINC000408849232 1066251218 /nfs/dbraw/zinc/25/12/18/1066251218.db2.gz YMVWWYOTSLQYAU-DEDRDRDXSA-N 0 0 596.705 4.951 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc(OC)cc5)cc4)c(=O)n32)cc1 ZINC000408849238 1066656943 /nfs/dbraw/zinc/65/69/43/1066656943.db2.gz YMVWWYOTSLQYAU-ITNAUSPISA-N 0 0 596.705 4.951 40 30 KJEBRN C#CCOc1c(I)cc([C@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1OCC ZINC000408849251 1066656877 /nfs/dbraw/zinc/65/68/77/1066656877.db2.gz ZGVLWBBZGCWDSH-JOCHJYFZSA-N 0 0 569.395 4.833 40 30 KJEBRN C#CCOc1c(I)cc([C@@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1OCC ZINC000408849259 1066250773 /nfs/dbraw/zinc/25/07/73/1066250773.db2.gz ZGVLWBBZGCWDSH-QFIPXVFZSA-N 0 0 569.395 4.833 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC=C)c(Br)c4)c(=O)n32)cc1 ZINC000408849751 1066656810 /nfs/dbraw/zinc/65/68/10/1066656810.db2.gz YMSUEMHDQLNKRN-FCYPAOMHSA-N 0 0 595.515 4.690 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC=C)c(Br)c4)c(=O)n32)cc1 ZINC000408849752 1066656765 /nfs/dbraw/zinc/65/67/65/1066656765.db2.gz YMSUEMHDQLNKRN-KDSDTBODSA-N 0 0 595.515 4.690 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(Sc5nc6ccccc6[nH]5)o4)c(=O)n32)cc1 ZINC000408849861 1066656214 /nfs/dbraw/zinc/65/62/14/1066656214.db2.gz ZVVCOCJZVOELSF-OXIKZWMZSA-N 0 0 598.706 4.984 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(Sc5nc6ccccc6[nH]5)o4)c(=O)n32)cc1 ZINC000408849862 1066656281 /nfs/dbraw/zinc/65/62/81/1066656281.db2.gz ZVVCOCJZVOELSF-QEYQTOMISA-N 0 0 598.706 4.984 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1OCC ZINC000408850187 1066656220 /nfs/dbraw/zinc/65/62/20/1066656220.db2.gz HRRSVBDXCIXMNI-WQRHYEAKSA-N 0 0 570.380 4.663 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000408850399 1066656293 /nfs/dbraw/zinc/65/62/93/1066656293.db2.gz MZMQNTQNOLXIQR-HDFSHUSISA-N 0 0 598.681 4.679 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1 ZINC000408850400 1066656164 /nfs/dbraw/zinc/65/61/64/1066656164.db2.gz MZMQNTQNOLXIQR-LAUBZIAYSA-N 0 0 598.681 4.679 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5cc(OC)ccc5OC)cc4)c(=O)n32)cc1 ZINC000408850606 195488735 /nfs/dbraw/zinc/48/87/35/195488735.db2.gz PGVZHWYWSBSFBR-HZHHUVPKSA-N 0 0 626.731 4.959 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5cc(OC)ccc5OC)cc4)c(=O)n32)cc1 ZINC000408850607 1066655672 /nfs/dbraw/zinc/65/56/72/1066655672.db2.gz PGVZHWYWSBSFBR-ISZRBDKASA-N 0 0 626.731 4.959 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408850955 1066655571 /nfs/dbraw/zinc/65/55/71/1066655571.db2.gz HAGHOYKDLKZSQN-PUUMDJTNSA-N 0 0 551.668 4.837 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408850956 1066655640 /nfs/dbraw/zinc/65/56/40/1066655640.db2.gz HAGHOYKDLKZSQN-QFFYTCKUSA-N 0 0 551.668 4.837 40 30 KJEBRN C/N=C1/S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1C ZINC000408851140 1066655711 /nfs/dbraw/zinc/65/57/11/1066655711.db2.gz IWYVWWGWDAODKZ-YSHZOFOISA-N 0 0 635.221 4.915 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408851151 1066654885 /nfs/dbraw/zinc/65/48/85/1066654885.db2.gz JAEPEIMHAFCGBN-CZLAYTOTSA-N 0 0 551.668 4.837 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408851152 1066654938 /nfs/dbraw/zinc/65/49/38/1066654938.db2.gz JAEPEIMHAFCGBN-PCJRJIAFSA-N 0 0 551.668 4.837 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 ZINC000408851164 1066655561 /nfs/dbraw/zinc/65/55/61/1066655561.db2.gz VSMRNHSIMPXSHY-ASZNLBCTSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 ZINC000408851165 1066655702 /nfs/dbraw/zinc/65/57/02/1066655702.db2.gz VSMRNHSIMPXSHY-YNMQQHPQSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408851266 1066655707 /nfs/dbraw/zinc/65/57/07/1066655707.db2.gz ATSBJBAWNGXDTE-BIWBSIMWSA-N 0 0 589.601 4.670 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408851268 1066655735 /nfs/dbraw/zinc/65/57/35/1066655735.db2.gz ATSBJBAWNGXDTE-ZGOFBEGVSA-N 0 0 589.601 4.670 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408852111 1066654873 /nfs/dbraw/zinc/65/48/73/1066654873.db2.gz CFFLVHNGSQZDDH-ASZNLBCTSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408852114 1066654924 /nfs/dbraw/zinc/65/49/24/1066654924.db2.gz CFFLVHNGSQZDDH-YNMQQHPQSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OC(C)=O)c(=O)n32)cc1 ZINC000408852201 1066654273 /nfs/dbraw/zinc/65/42/73/1066654273.db2.gz DEWYDDQXBAGPMH-MFUBYVTQSA-N 0 0 676.383 4.813 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OC(C)=O)c(=O)n32)cc1 ZINC000408852202 1066654238 /nfs/dbraw/zinc/65/42/38/1066654238.db2.gz DEWYDDQXBAGPMH-RWTNITNYSA-N 0 0 676.383 4.813 40 30 KJEBRN O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1cc(Br)c(N2CCOCC2)o1 ZINC000408852641 195493498 /nfs/dbraw/zinc/49/34/98/195493498.db2.gz MILHLQFVIRWVAX-GDNBJRDFSA-N 0 0 513.211 4.533 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408852733 195493839 /nfs/dbraw/zinc/49/38/39/195493839.db2.gz HWYMBFIFRKWCLA-PKYOQBLNSA-N 0 0 642.646 4.972 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408852736 195493897 /nfs/dbraw/zinc/49/38/97/195493897.db2.gz HWYMBFIFRKWCLA-USDTVRPUSA-N 0 0 642.646 4.972 40 30 KJEBRN CC/N=C1\S/C(=C\c2cc(I)c(OCC)c(I)c2)C(=O)N1CC ZINC000408852795 1066250030 /nfs/dbraw/zinc/25/00/30/1066250030.db2.gz NNYIJBCJUJZYNV-WHMPXDRYSA-N 0 0 556.207 4.607 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)c(OC)c(Br)c4)c(=O)n32)cc1 ZINC000408852799 1066654206 /nfs/dbraw/zinc/65/42/06/1066654206.db2.gz IIUCQZYAJQSMRN-CVGPFBNFSA-N 0 0 648.373 4.897 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)c(OC)c(Br)c4)c(=O)n32)cc1 ZINC000408852801 1066250171 /nfs/dbraw/zinc/25/01/71/1066250171.db2.gz IIUCQZYAJQSMRN-LJJBLSSYSA-N 0 0 648.373 4.897 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC=C)c(OC)c4)c(=O)n32)cc1 ZINC000408853223 195495221 /nfs/dbraw/zinc/49/52/21/195495221.db2.gz QAQAXQKMPXBPDL-FCYPAOMHSA-N 0 0 625.541 4.699 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC=C)c(OC)c4)c(=O)n32)cc1 ZINC000408853225 1066653577 /nfs/dbraw/zinc/65/35/77/1066653577.db2.gz QAQAXQKMPXBPDL-KDSDTBODSA-N 0 0 625.541 4.699 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000408853235 195495148 /nfs/dbraw/zinc/49/51/48/195495148.db2.gz QEBIHZZGMCJAPS-HRIDGTDGSA-N 0 0 642.646 4.972 40 30 KJEBRN CC/N=C1\S/C(=C\c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C(=O)N1CC ZINC000408853236 1066653554 /nfs/dbraw/zinc/65/35/54/1066653554.db2.gz MNZYMRNUTXNNFM-SNBOGDPUSA-N 0 0 579.460 4.938 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000408853238 1066250016 /nfs/dbraw/zinc/25/00/16/1066250016.db2.gz QEBIHZZGMCJAPS-NULZLWRNSA-N 0 0 642.646 4.972 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC(=O)c5ccc(OC)cc5)cc4)c(=O)n32)cc1 ZINC000408853508 1066252478 /nfs/dbraw/zinc/25/24/78/1066252478.db2.gz UUQJKBQAHWYUOX-UXCHMGEPSA-N 0 0 610.688 4.591 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC(=O)c5ccc(OC)cc5)cc4)c(=O)n32)cc1 ZINC000408853509 1066653624 /nfs/dbraw/zinc/65/36/24/1066653624.db2.gz UUQJKBQAHWYUOX-ZJZHBOIVSA-N 0 0 610.688 4.591 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n32)cc1 ZINC000408853743 1066252459 /nfs/dbraw/zinc/25/24/59/1066252459.db2.gz XOWKHIZNJICBNZ-QCHPHUCNSA-N 0 0 529.445 4.670 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n32)cc1 ZINC000408853744 1066653572 /nfs/dbraw/zinc/65/35/72/1066653572.db2.gz XOWKHIZNJICBNZ-VZIOXZNFSA-N 0 0 529.445 4.670 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 ZINC000408854253 1066653110 /nfs/dbraw/zinc/65/31/10/1066653110.db2.gz AYNPYYZRCODDNX-ASZNLBCTSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 ZINC000408854254 1066653081 /nfs/dbraw/zinc/65/30/81/1066653081.db2.gz AYNPYYZRCODDNX-YNMQQHPQSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cccc(C(=O)OCC)c5)o4)c(=O)n32)cc1 ZINC000408854412 1066653030 /nfs/dbraw/zinc/65/30/30/1066653030.db2.gz FJMNSXVLNJTYOY-CVXGXVHTSA-N 0 0 598.677 4.800 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cccc(C(=O)OCC)c5)o4)c(=O)n32)cc1 ZINC000408854413 1066653149 /nfs/dbraw/zinc/65/31/49/1066653149.db2.gz FJMNSXVLNJTYOY-ZIRCPPMYSA-N 0 0 598.677 4.800 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccn(-c5ccc(Br)cc5)c4)c(=O)n32)cc1 ZINC000408854432 1066653154 /nfs/dbraw/zinc/65/31/54/1066653154.db2.gz FTBHPEAZPIOCOC-CMISJSSVSA-N 0 0 604.526 4.916 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccn(-c5ccc(Br)cc5)c4)c(=O)n32)cc1 ZINC000408854433 1066252445 /nfs/dbraw/zinc/25/24/45/1066252445.db2.gz FTBHPEAZPIOCOC-DBXPASCUSA-N 0 0 604.526 4.916 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 ZINC000408854536 1066652306 /nfs/dbraw/zinc/65/23/06/1066652306.db2.gz HUJPPRBVPHGGSD-DDBFQISPSA-N 0 0 611.676 4.850 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 ZINC000408854537 1066652353 /nfs/dbraw/zinc/65/23/53/1066652353.db2.gz HUJPPRBVPHGGSD-WWWKDLBZSA-N 0 0 611.676 4.850 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4c(C)n(CC=C)c5ccccc45)c(=O)n32)cc1 ZINC000408854608 1066653044 /nfs/dbraw/zinc/65/30/44/1066653044.db2.gz AELJLOUZOPECCS-CVXGXVHTSA-N 0 0 553.684 4.812 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4c(C)n(CC=C)c5ccccc45)c(=O)n32)cc1 ZINC000408854609 1066653117 /nfs/dbraw/zinc/65/31/17/1066653117.db2.gz AELJLOUZOPECCS-ZIRCPPMYSA-N 0 0 553.684 4.812 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5)c(OC)c4)c(=O)n32)cc1 ZINC000408854701 1066652356 /nfs/dbraw/zinc/65/23/56/1066652356.db2.gz BLBHTPWYTJKTSF-DEDRDRDXSA-N 0 0 596.705 4.951 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5)c(OC)c4)c(=O)n32)cc1 ZINC000408854703 1066253444 /nfs/dbraw/zinc/25/34/44/1066253444.db2.gz BLBHTPWYTJKTSF-ITNAUSPISA-N 0 0 596.705 4.951 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000408854800 1066652400 /nfs/dbraw/zinc/65/24/00/1066652400.db2.gz BOJZJIXVVBOIPX-HVDVVURSSA-N 0 0 641.702 4.859 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 ZINC000408854801 1066652323 /nfs/dbraw/zinc/65/23/23/1066652323.db2.gz BOJZJIXVVBOIPX-WOSHRIRTSA-N 0 0 641.702 4.859 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc5[nH]c6ccccc6c5c4)c(=O)n32)cc1 ZINC000408855023 1066652333 /nfs/dbraw/zinc/65/23/33/1066652333.db2.gz LTFVMYOJBLWXNK-NNAGEYCMSA-N 0 0 549.652 4.998 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(OCc4ccccc4C#N)cc3)sc2=N1 ZINC000408855262 1066651852 /nfs/dbraw/zinc/65/18/52/1066651852.db2.gz BDSKCYPTIBBXRH-SOJUGJLBSA-N 0 0 607.688 4.758 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(OCc4ccccc4C#N)cc3)sc2=N1 ZINC000408855263 1066651907 /nfs/dbraw/zinc/65/19/07/1066651907.db2.gz BDSKCYPTIBBXRH-ZMTYCLHQSA-N 0 0 607.688 4.758 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc5[nH]c6ccccc6c5c4)c(=O)n32)cc1 ZINC000408855313 1066651910 /nfs/dbraw/zinc/65/19/10/1066651910.db2.gz LTFVMYOJBLWXNK-PQRKSKNISA-N 0 0 549.652 4.998 40 30 KJEBRN COc1cc(C=NN2C(=S)N=NC2C)cc(I)c1OCc1ccc(Br)cc1 ZINC000408855381 1066651847 /nfs/dbraw/zinc/65/18/47/1066651847.db2.gz MGAQLWBFEGFFQJ-ZVBGSRNCSA-N 0 0 559.227 4.712 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OC)c(=O)n32)cc1 ZINC000408855478 1066253289 /nfs/dbraw/zinc/25/32/89/1066253289.db2.gz FMCUYOFLWIQQKW-QCHPHUCNSA-N 0 0 648.373 4.897 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OC)c(=O)n32)cc1 ZINC000408855480 1066651838 /nfs/dbraw/zinc/65/18/38/1066651838.db2.gz FMCUYOFLWIQQKW-VZIOXZNFSA-N 0 0 648.373 4.897 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC)c(OC)c4)c(=O)n32)cc1 ZINC000408855488 1066253247 /nfs/dbraw/zinc/25/32/47/1066253247.db2.gz FOQXLHNSYOCNBO-QKSFETHESA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC)c(OC)c4)c(=O)n32)cc1 ZINC000408855491 1066253257 /nfs/dbraw/zinc/25/32/57/1066253257.db2.gz FOQXLHNSYOCNBO-ZDQFFALBSA-N 0 0 613.530 4.533 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408855566 1066253328 /nfs/dbraw/zinc/25/33/28/1066253328.db2.gz GEOQBYJVZFVMNP-QPGSGLTOSA-N 0 0 506.378 4.867 40 30 KJEBRN C/N=C1/S/C(=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)C(=O)N1C ZINC000408855626 1066651891 /nfs/dbraw/zinc/65/18/91/1066651891.db2.gz HJWVXNRQXWEBNC-DVELPCAWSA-N 0 0 634.233 4.735 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1Br ZINC000408855752 1066651833 /nfs/dbraw/zinc/65/18/33/1066651833.db2.gz CZOOFPZPGNWLIJ-ODLFYWEKSA-N 0 0 505.390 4.600 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1Br ZINC000408855799 1066651896 /nfs/dbraw/zinc/65/18/96/1066651896.db2.gz DXIVJUSZZUTJJR-NVMNQCDNSA-N 0 0 525.808 4.945 40 30 KJEBRN COc1c(I)cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1I ZINC000408855835 1066253196 /nfs/dbraw/zinc/25/31/96/1066253196.db2.gz FGDNBEYVOXPYEH-ZSOIEALJSA-N 0 0 580.160 4.935 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccccc4)c(=O)n32)cc1 ZINC000408856154 1066651137 /nfs/dbraw/zinc/65/11/37/1066651137.db2.gz PLWLASWUHXIUIU-JUNLCRQGSA-N 0 0 566.679 4.942 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccccc4)c(=O)n32)cc1 ZINC000408856158 1066651204 /nfs/dbraw/zinc/65/12/04/1066651204.db2.gz PLWLASWUHXIUIU-RMNLPTLGSA-N 0 0 566.679 4.942 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 ZINC000408856403 1066651043 /nfs/dbraw/zinc/65/10/43/1066651043.db2.gz IHAXORLTDZCRKN-ASZNLBCTSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 ZINC000408856404 1066651084 /nfs/dbraw/zinc/65/10/84/1066651084.db2.gz IHAXORLTDZCRKN-YNMQQHPQSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408856524 1066251828 /nfs/dbraw/zinc/25/18/28/1066251828.db2.gz KMWZJQGCIAHFGB-UXCHMGEPSA-N 0 0 581.694 4.846 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408856531 1066651064 /nfs/dbraw/zinc/65/10/64/1066651064.db2.gz KMWZJQGCIAHFGB-ZJZHBOIVSA-N 0 0 581.694 4.846 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)OCC)cc5)o4)c(=O)n32)cc1 ZINC000408856639 1066651167 /nfs/dbraw/zinc/65/11/67/1066651167.db2.gz JNEFSGDODQAZCG-CVXGXVHTSA-N 0 0 598.677 4.800 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)OCC)cc5)o4)c(=O)n32)cc1 ZINC000408856646 1066651115 /nfs/dbraw/zinc/65/11/15/1066651115.db2.gz JNEFSGDODQAZCG-ZIRCPPMYSA-N 0 0 598.677 4.800 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 ZINC000408856745 1066651054 /nfs/dbraw/zinc/65/10/54/1066651054.db2.gz LHACPIKADAXTEC-ASZNLBCTSA-N 0 0 601.637 4.540 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 ZINC000408856750 1066651144 /nfs/dbraw/zinc/65/11/44/1066651144.db2.gz LHACPIKADAXTEC-YNMQQHPQSA-N 0 0 601.637 4.540 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1 ZINC000408857404 1066664061 /nfs/dbraw/zinc/66/40/61/1066664061.db2.gz MLARGLLHZYPJHA-ASZNLBCTSA-N 0 0 601.637 4.540 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1 ZINC000408857408 1066251793 /nfs/dbraw/zinc/25/17/93/1066251793.db2.gz MLARGLLHZYPJHA-YNMQQHPQSA-N 0 0 601.637 4.540 40 30 KJEBRN COc1ccc(S(=O)(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408857549 1066251712 /nfs/dbraw/zinc/25/17/12/1066251712.db2.gz KOOPUSPSPKCAJN-AFUMVMLFSA-N 0 0 519.417 4.666 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc6c(c5)OCO6)cc4)c(=O)n32)cc1 ZINC000408857659 1066663896 /nfs/dbraw/zinc/66/38/96/1066663896.db2.gz PDVVHTKWEMTWMR-DDIUQFJASA-N 0 0 610.688 4.671 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc6c(c5)OCO6)cc4)c(=O)n32)cc1 ZINC000408857664 1066664033 /nfs/dbraw/zinc/66/40/33/1066664033.db2.gz PDVVHTKWEMTWMR-IMUCPKNRSA-N 0 0 610.688 4.671 40 30 KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408857666 1066251759 /nfs/dbraw/zinc/25/17/59/1066251759.db2.gz PFVRSPIPZIMDIK-ASZNLBCTSA-N 0 0 541.673 4.726 40 30 KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408857669 1066252033 /nfs/dbraw/zinc/25/20/33/1066252033.db2.gz PFVRSPIPZIMDIK-YNMQQHPQSA-N 0 0 541.673 4.726 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000408857954 1066664014 /nfs/dbraw/zinc/66/40/14/1066664014.db2.gz OCXJUFWSTBFKMU-DDIUQFJASA-N 0 0 641.702 4.859 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 ZINC000408857956 1066663903 /nfs/dbraw/zinc/66/39/03/1066663903.db2.gz OCXJUFWSTBFKMU-IMUCPKNRSA-N 0 0 641.702 4.859 40 30 KJEBRN CC1N=NC(=S)N1N=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408858016 1066252393 /nfs/dbraw/zinc/25/23/93/1066252393.db2.gz IHDRQOFNNHMYBG-AWQFTUOYSA-N 0 0 576.201 4.546 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccccc5C#N)c(OC)c4)c(=O)n32)cc1 ZINC000408858119 1066663413 /nfs/dbraw/zinc/66/34/13/1066663413.db2.gz JTCWFKBRVQFOOL-IVQFASICSA-N 0 0 609.704 4.655 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccccc5C#N)c(OC)c4)c(=O)n32)cc1 ZINC000408858121 1066663399 /nfs/dbraw/zinc/66/33/99/1066663399.db2.gz JTCWFKBRVQFOOL-SELCLYCASA-N 0 0 609.704 4.655 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc6c(c5)OCO6)c(OC)c4)c(=O)n32)cc1 ZINC000408858243 1066663375 /nfs/dbraw/zinc/66/33/75/1066663375.db2.gz XYUSUERUAHWMBE-FVUNBJOLSA-N 0 0 640.714 4.679 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc6c(c5)OCO6)c(OC)c4)c(=O)n32)cc1 ZINC000408858246 1066663396 /nfs/dbraw/zinc/66/33/96/1066663396.db2.gz XYUSUERUAHWMBE-KFOJKGMOSA-N 0 0 640.714 4.679 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000408858342 1066663459 /nfs/dbraw/zinc/66/34/59/1066663459.db2.gz RVWJKIHKFKBREC-HDFSHUSISA-N 0 0 571.674 4.910 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 ZINC000408858347 1066252690 /nfs/dbraw/zinc/25/26/90/1066252690.db2.gz RVWJKIHKFKBREC-LAUBZIAYSA-N 0 0 571.674 4.910 40 30 KJEBRN C/N=C1/S/C(=C\c2cc(I)c(OCc3ccccc3F)c(OC)c2)C(=O)N1C ZINC000408858592 1066662645 /nfs/dbraw/zinc/66/26/45/1066662645.db2.gz UHVDPEAOFHWZDA-PQUPTFKKSA-N 0 0 512.344 4.550 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408859038 1066662627 /nfs/dbraw/zinc/66/26/27/1066662627.db2.gz VFIOUWIWRUFONX-ASZNLBCTSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000408859043 1066662709 /nfs/dbraw/zinc/66/27/09/1066662709.db2.gz VFIOUWIWRUFONX-YNMQQHPQSA-N 0 0 585.638 4.840 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408859472 1066662301 /nfs/dbraw/zinc/66/23/01/1066662301.db2.gz XDYUMDCWDBOXEE-RAWKODRKSA-N 0 0 611.676 4.850 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408859474 1066253343 /nfs/dbraw/zinc/25/33/43/1066253343.db2.gz XDYUMDCWDBOXEE-XGLKJEJJSA-N 0 0 611.676 4.850 40 30 KJEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccc(OCc5ccccc5)c4)c(=O)n32)cc1 ZINC000408859537 1066253460 /nfs/dbraw/zinc/25/34/60/1066253460.db2.gz UXPSVHPQTGMGEE-JUNLCRQGSA-N 0 0 566.679 4.942 40 30 KJEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccc(OCc5ccccc5)c4)c(=O)n32)cc1 ZINC000408859540 1066662300 /nfs/dbraw/zinc/66/23/00/1066662300.db2.gz UXPSVHPQTGMGEE-RMNLPTLGSA-N 0 0 566.679 4.942 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(Br)c1OCC(N)=O ZINC000408860505 1066661488 /nfs/dbraw/zinc/66/14/88/1066661488.db2.gz XFFWGJRJAXCGFW-MFOYZWKCSA-N 0 0 524.824 4.565 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408860826 1066661447 /nfs/dbraw/zinc/66/14/47/1066661447.db2.gz FYSNCDIBOPTRJO-LCQSEVKBSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408860827 1066661497 /nfs/dbraw/zinc/66/14/97/1066661497.db2.gz FYSNCDIBOPTRJO-UQDCTOEPSA-N 0 0 570.070 4.902 40 30 KJEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)S1 ZINC000408860831 1066661479 /nfs/dbraw/zinc/66/14/79/1066661479.db2.gz GBNNODVUGMZVDI-PXNMLYILSA-N 0 0 530.771 4.862 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408861165 1066661074 /nfs/dbraw/zinc/66/10/74/1066661074.db2.gz OMQLJNJMLWHKNU-DYCDSJFESA-N 0 0 658.530 4.740 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408861166 1066661054 /nfs/dbraw/zinc/66/10/54/1066661054.db2.gz OMQLJNJMLWHKNU-WLNFRNCRSA-N 0 0 658.530 4.740 40 30 KJEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(Br)c(OCC#N)c(OC)c2)S1 ZINC000408861970 1066660565 /nfs/dbraw/zinc/66/05/65/1066660565.db2.gz VXHNZVJHIKWRFA-MFOYZWKCSA-N 0 0 508.781 4.914 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408862571 1066660572 /nfs/dbraw/zinc/66/05/72/1066660572.db2.gz GMPBSEUDUASPQL-WYMPLXKRSA-N 0 0 554.806 4.911 40 30 KJEBRN COc1ccc(S(=O)(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC ZINC000408862582 1066254175 /nfs/dbraw/zinc/25/41/75/1066254175.db2.gz HMJOIEOOFPSNNT-VULFUBBASA-N 0 0 549.443 4.675 40 30 KJEBRN CCC1N=NC(=S)N1N=Cc1cc(I)c(OCc2ccc(Br)cc2)c(OC)c1 ZINC000408863357 1066660045 /nfs/dbraw/zinc/66/00/45/1066660045.db2.gz NNNCAAKEQWKMSD-LSHDLFTRSA-N 0 0 573.254 4.966 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408863382 1066660007 /nfs/dbraw/zinc/66/00/07/1066660007.db2.gz NRFRJSNXTCDBRP-HRIDGTDGSA-N 0 0 581.719 4.971 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408863389 1066660060 /nfs/dbraw/zinc/66/00/60/1066660060.db2.gz NRFRJSNXTCDBRP-NULZLWRNSA-N 0 0 581.719 4.971 40 30 KJEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(I)cc(I)c2O)S1 ZINC000408863840 1066660020 /nfs/dbraw/zinc/66/00/20/1066660020.db2.gz RHWXIPNQHMFZGP-CHHVJCJISA-N 0 0 592.196 4.810 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc(Br)c1OCC(N)=O ZINC000408864286 1066659541 /nfs/dbraw/zinc/65/95/41/1066659541.db2.gz VAZHUWGCTILXDK-IUXPMGMMSA-N 0 0 524.824 4.565 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408864440 1066659389 /nfs/dbraw/zinc/65/93/89/1066659389.db2.gz VWSZSCLDTREIAR-LGJNPRDNSA-N 0 0 566.861 4.961 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC ZINC000408865675 1066658728 /nfs/dbraw/zinc/65/87/28/1066658728.db2.gz DIGICFHTRZPSAL-WQRHYEAKSA-N 0 0 568.364 4.679 40 30 KJEBRN COC(=O)C1=C(C)NC(=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C1=O ZINC000408867815 1066669934 /nfs/dbraw/zinc/66/99/34/1066669934.db2.gz MBVWYUFRDSGUBE-ZVHZXABRSA-N 0 0 541.025 4.593 40 30 KJEBRN C=CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC ZINC000408867965 1066254654 /nfs/dbraw/zinc/25/46/54/1066254654.db2.gz KWFLQRJAVGTXKK-GRSHGNNSSA-N 0 0 521.364 4.837 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)C1=O ZINC000408868163 1066669872 /nfs/dbraw/zinc/66/98/72/1066669872.db2.gz NREPYYZQYZEHLG-LPYMAVHISA-N 0 0 598.837 4.828 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000408869289 1066669063 /nfs/dbraw/zinc/66/90/63/1066669063.db2.gz QNRLNUXPUDVPTD-CFRMEGHHSA-N 0 0 517.538 4.960 40 30 KJEBRN C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)cc1OCC ZINC000408869754 1066255143 /nfs/dbraw/zinc/25/51/43/1066255143.db2.gz QUOJPWUZAFLNDP-MTJSOVHGSA-N 0 0 534.512 4.800 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)C1=O ZINC000408869785 1066669112 /nfs/dbraw/zinc/66/91/12/1066669112.db2.gz UDHFDWCVFAEAQW-LPYMAVHISA-N 0 0 554.386 4.719 40 30 KJEBRN C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OCC ZINC000408869806 1066254397 /nfs/dbraw/zinc/25/43/97/1066254397.db2.gz UGGRVNUHPDEICM-NDENLUEZSA-N 0 0 504.486 4.791 40 30 KJEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)C1=O ZINC000408870173 1066255282 /nfs/dbraw/zinc/25/52/82/1066255282.db2.gz VQZMZGXAJMLHIE-ZVHZXABRSA-N 0 0 547.995 4.682 40 30 KJEBRN C=CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1I ZINC000408870802 1066668418 /nfs/dbraw/zinc/66/84/18/1066668418.db2.gz WVMWQPVJSHMDCA-WQRHYEAKSA-N 0 0 538.338 4.670 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)C1=O ZINC000408870990 1066668559 /nfs/dbraw/zinc/66/85/59/1066668559.db2.gz WOSLRMAVHIHDRJ-OEAKJJBVSA-N 0 0 526.998 4.597 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408871114 1066668542 /nfs/dbraw/zinc/66/85/42/1066668542.db2.gz YCXIRXNVXSXMNM-LGJNPRDNSA-N 0 0 566.861 4.961 40 30 KJEBRN CCOC(=O)C1=C(C)NC(=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C1=O ZINC000408871960 1066667846 /nfs/dbraw/zinc/66/78/46/1066667846.db2.gz IIZCKUADZYGTIA-BUVRLJJBSA-N 0 0 541.025 4.674 40 30 KJEBRN C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1I ZINC000408872391 1066667199 /nfs/dbraw/zinc/66/71/99/1066667199.db2.gz MLKXILVUEWMPRM-ZDLGFXPLSA-N 0 0 586.329 4.997 40 30 KJEBRN CCC1N=NC(=S)N1N=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408872532 1066256150 /nfs/dbraw/zinc/25/61/50/1066256150.db2.gz FXEQKWSIJLMFQN-UFFVCSGVSA-N 0 0 590.228 4.800 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000408872634 1066256032 /nfs/dbraw/zinc/25/60/32/1066256032.db2.gz HVNPXYACMYTSRC-WSDLNYQXSA-N 0 0 572.376 4.858 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OCC ZINC000408872846 1066667287 /nfs/dbraw/zinc/66/72/87/1066667287.db2.gz JYOSJYMVCMTDHV-UNOMPAQXSA-N 0 0 533.375 4.674 40 30 KJEBRN C=CCN1C(=O)/C(=C\c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C ZINC000408873763 1066666459 /nfs/dbraw/zinc/66/64/59/1066666459.db2.gz WWJSFONKICOJNC-OVVQPSECSA-N 0 0 546.645 4.838 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)C1=O ZINC000408873956 1066666299 /nfs/dbraw/zinc/66/62/99/1066666299.db2.gz XRSSWIMCKPEOFN-OEAKJJBVSA-N 0 0 571.449 4.706 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1I ZINC000408874283 1066666340 /nfs/dbraw/zinc/66/63/40/1066666340.db2.gz AVSRVGXUBBMOHV-YVLHZVERSA-N 0 0 662.218 4.722 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)C1=O ZINC000408874641 1066666017 /nfs/dbraw/zinc/66/60/17/1066666017.db2.gz CYPHQFMHMDVJKQ-ZVHZXABRSA-N 0 0 547.995 4.682 40 30 KJEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)S1 ZINC000408874838 1066256016 /nfs/dbraw/zinc/25/60/16/1066256016.db2.gz DILIKMFNRUMMQB-IWIPYMOSSA-N 0 0 503.580 4.921 40 30 KJEBRN CCOC(=O)C1=C(C)NC(=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C1=O ZINC000408874908 1066666003 /nfs/dbraw/zinc/66/60/03/1066666003.db2.gz FDOJPOJEZQZVMP-WGOQTCKBSA-N 0 0 534.634 4.638 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc(I)c1O ZINC000408875278 1066665211 /nfs/dbraw/zinc/66/52/11/1066665211.db2.gz IMKJSOROGBBLHQ-YVLHZVERSA-N 0 0 510.353 4.604 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(I)c1O ZINC000408875391 1066665198 /nfs/dbraw/zinc/66/51/98/1066665198.db2.gz FFSCJCFBVAGYBM-NVNXTCNLSA-N 0 0 500.745 4.859 40 30 KJEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)C1=O ZINC000408875691 1066665128 /nfs/dbraw/zinc/66/51/28/1066665128.db2.gz GYMPCSUNYXEGFG-MFKUBSTISA-N 0 0 520.607 4.561 40 30 KJEBRN C#CCOc1c(I)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408875751 1066256749 /nfs/dbraw/zinc/25/67/49/1066256749.db2.gz KNOKATGJMZFYQU-UHFFFAOYSA-N 0 0 578.362 4.895 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)cc(OC)c1O ZINC000408876018 1066256665 /nfs/dbraw/zinc/25/66/65/1066256665.db2.gz IQGGEYSXQREXHT-GRSHGNNSSA-N 0 0 522.501 4.832 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)C1=O ZINC000408876499 1066665343 /nfs/dbraw/zinc/66/53/43/1066665343.db2.gz LOPYGRPUILIUGM-CVKSISIWSA-N 0 0 541.604 4.645 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc(I)c1O ZINC000408876742 1066664613 /nfs/dbraw/zinc/66/46/13/1066664613.db2.gz QRGSSTANCWAIQO-PXNMLYILSA-N 0 0 530.771 4.949 40 30 KJEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)S1 ZINC000408876968 1066256625 /nfs/dbraw/zinc/25/66/25/1066256625.db2.gz RKYQLOSXVAIFCV-YVLHZVERSA-N 0 0 510.353 4.517 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OCC ZINC000408877121 1066256857 /nfs/dbraw/zinc/25/68/57/1066256857.db2.gz SVJZBZGIMAMGRL-JAIQZWGSSA-N 0 0 533.375 4.674 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1OCC ZINC000408877251 1066664669 /nfs/dbraw/zinc/66/46/69/1066664669.db2.gz TWYWEQLULVRZCU-NDENLUEZSA-N 0 0 549.443 4.998 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC ZINC000408877356 1066675711 /nfs/dbraw/zinc/67/57/11/1066675711.db2.gz VHTIXXWOBDWLLQ-WQRHYEAKSA-N 0 0 521.364 4.837 40 30 KJEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1cc(Br)cc(I)c1O ZINC000408877575 1066256825 /nfs/dbraw/zinc/25/68/25/1066256825.db2.gz SLVGIACGUXEZPN-MLPAPPSSSA-N 0 0 519.133 4.790 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1OCC ZINC000408878217 1066256728 /nfs/dbraw/zinc/25/67/28/1066256728.db2.gz YINQAORQKLRACC-NDENLUEZSA-N 0 0 596.443 4.840 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OCC ZINC000408878779 1066675020 /nfs/dbraw/zinc/67/50/20/1066675020.db2.gz BBJYQXNXHBCLKL-UNOMPAQXSA-N 0 0 580.375 4.516 40 30 KJEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000408879070 1066257218 /nfs/dbraw/zinc/25/72/18/1066257218.db2.gz FEEQHXFLUHSYPO-UYRXBGFRSA-N 0 0 515.956 4.908 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)C1=O ZINC000408879346 1066674849 /nfs/dbraw/zinc/67/48/49/1066674849.db2.gz FJKZZBSZQHGQBQ-OEAKJJBVSA-N 0 0 571.449 4.706 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000408879572 1066256108 /nfs/dbraw/zinc/25/61/08/1066256108.db2.gz FIBBRZGWWXJCQT-AFUMVMLFSA-N 0 0 550.418 4.808 40 30 KJEBRN COC(=O)C1=C(C)NC(=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C1=O ZINC000408879657 1066674916 /nfs/dbraw/zinc/67/49/16/1066674916.db2.gz CGHYZWMNKCFLAE-ZVHZXABRSA-N 0 0 541.025 4.593 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(I)c1OC(=O)c1ccccc1 ZINC000408879864 1066674244 /nfs/dbraw/zinc/67/42/44/1066674244.db2.gz HMUDPMSKHBGZKC-FSJBWODESA-N 0 0 562.276 4.781 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408879866 1066674388 /nfs/dbraw/zinc/67/43/88/1066674388.db2.gz HOOZXJXCRPDVKJ-ZMOGYAJESA-N 0 0 556.809 4.845 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)C1=O ZINC000408880862 1066257392 /nfs/dbraw/zinc/25/73/92/1066257392.db2.gz IVEKPJPMMSTRQY-MFKUBSTISA-N 0 0 520.607 4.561 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408881001 1066674331 /nfs/dbraw/zinc/67/43/31/1066674331.db2.gz LPYSKYIKMGIJNJ-AFUMVMLFSA-N 0 0 548.415 4.956 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc3c(c2)OCCO3)cc(Br)c1OCc1ccccc1Cl ZINC000408881174 1066673511 /nfs/dbraw/zinc/67/35/11/1066673511.db2.gz KBDLPORLZLWLHE-LGJNPRDNSA-N 0 0 567.845 4.774 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408881333 1066673420 /nfs/dbraw/zinc/67/34/20/1066673420.db2.gz MTAYMUSWCSVXQV-MOSHPQCFSA-N 0 0 545.982 4.916 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408881757 1066673490 /nfs/dbraw/zinc/67/34/90/1066673490.db2.gz OJAMGGFGLWNHLN-ZMOGYAJESA-N 0 0 534.388 4.566 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408881919 1066672923 /nfs/dbraw/zinc/67/29/23/1066672923.db2.gz PCNLZBIOFGKWQI-STZFKDTASA-N 0 0 525.564 4.571 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1 ZINC000408882016 1066672797 /nfs/dbraw/zinc/67/27/97/1066672797.db2.gz POGJGICWHUTGSX-YDZHTSKRSA-N 0 0 588.299 4.600 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408882130 1066258296 /nfs/dbraw/zinc/25/82/96/1066258296.db2.gz NKNQCFLYDYYFOM-ZVHZXABRSA-N 0 0 534.388 4.647 40 30 KJEBRN CCOC(=O)C1=C(C)NC(=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C1=O ZINC000408883045 1066671825 /nfs/dbraw/zinc/67/18/25/1066671825.db2.gz STDKINGXFPVMEA-MFKUBSTISA-N 0 0 555.052 4.983 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000408883553 1066671833 /nfs/dbraw/zinc/67/18/33/1066671833.db2.gz VQDIMZXITIWVFL-YDZHTSKRSA-N 0 0 520.907 4.769 40 30 KJEBRN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)cc2)cc1 ZINC000408883802 1066671965 /nfs/dbraw/zinc/67/19/65/1066671965.db2.gz VAQZTJHPQKZIGY-HMAPJEAMSA-N 0 0 528.011 4.958 40 30 KJEBRN COc1ccc(C(=O)Oc2c(I)cc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2OC)cc1 ZINC000408884114 1066671775 /nfs/dbraw/zinc/67/17/75/1066671775.db2.gz XSWXCUNCKWWEFA-WYMPLXKRSA-N 0 0 592.302 4.790 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)C1=O ZINC000408884739 1066257548 /nfs/dbraw/zinc/25/75/48/1066257548.db2.gz ZIKQUAPAZOFLJW-LPYMAVHISA-N 0 0 575.412 4.537 40 30 KJEBRN C=CCOc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1I ZINC000408884906 1066671104 /nfs/dbraw/zinc/67/11/04/1066671104.db2.gz ZAVQZEBSTUONGO-NRFANRHFSA-N 0 0 527.358 4.988 40 30 KJEBRN C=CCOc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1I ZINC000408884908 1066257351 /nfs/dbraw/zinc/25/73/51/1066257351.db2.gz ZAVQZEBSTUONGO-OAQYLSRUSA-N 0 0 527.358 4.988 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408885378 1066671084 /nfs/dbraw/zinc/67/10/84/1066671084.db2.gz YXBGPAZTUMFFLM-BIWBSIMWSA-N 0 0 657.583 4.932 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408885379 1066671192 /nfs/dbraw/zinc/67/11/92/1066671192.db2.gz YXBGPAZTUMFFLM-ZGOFBEGVSA-N 0 0 657.583 4.932 40 30 KJEBRN COc1ccc(C(=O)Oc2ccc(Br)cc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408885565 1066671243 /nfs/dbraw/zinc/67/12/43/1066671243.db2.gz CAQYFWFYNGIDPF-FSJBWODESA-N 0 0 515.276 4.939 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408885665 1066257525 /nfs/dbraw/zinc/25/75/25/1066257525.db2.gz DPELROAOZZTTIZ-MOSHPQCFSA-N 0 0 637.433 4.867 40 30 KJEBRN COc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408885979 1066257512 /nfs/dbraw/zinc/25/75/12/1066257512.db2.gz CEWDXVJFUFVQDQ-MOSHPQCFSA-N 0 0 545.982 4.916 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408886636 1066670514 /nfs/dbraw/zinc/67/05/14/1066670514.db2.gz KYAWNUOEPROUHB-FSJBWODESA-N 0 0 520.907 4.687 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408886798 1066258792 /nfs/dbraw/zinc/25/87/92/1066258792.db2.gz MEHADKTYODPOSI-YDZHTSKRSA-N 0 0 565.358 4.769 40 30 KJEBRN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)cc2)cc1 ZINC000408886823 1066670497 /nfs/dbraw/zinc/67/04/97/1066670497.db2.gz JDDMCQIMXBNGQY-HAHDFKILSA-N 0 0 507.593 4.613 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1 ZINC000408887147 1066258903 /nfs/dbraw/zinc/25/89/03/1066258903.db2.gz OJAPURZTPCZKIS-WSDLNYQXSA-N 0 0 535.332 4.679 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F ZINC000408888277 1066258263 /nfs/dbraw/zinc/25/82/63/1066258263.db2.gz YKDVQDUWMGBGFQ-DHRITJCHSA-N 0 0 507.381 4.797 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408888522 1066676278 /nfs/dbraw/zinc/67/62/78/1066676278.db2.gz WOKULHYXMLBSTR-WYMPLXKRSA-N 0 0 582.376 4.515 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 ZINC000408888878 1066676332 /nfs/dbraw/zinc/67/63/32/1066676332.db2.gz CGRHJALDJRFBQW-CVKSISIWSA-N 0 0 502.976 4.587 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408889115 1066258155 /nfs/dbraw/zinc/25/81/55/1066258155.db2.gz DTHVQSIHLAZRHT-DHRITJCHSA-N 0 0 507.381 4.797 40 30 KJEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000408889246 1066258311 /nfs/dbraw/zinc/25/83/11/1066258311.db2.gz BDAQHCIEENZHBW-KQWNVCNZSA-N 0 0 510.593 4.753 40 30 KJEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1 ZINC000408889373 1066682146 /nfs/dbraw/zinc/68/21/46/1066682146.db2.gz FRBCEDJTUVCYNN-FSJBWODESA-N 0 0 515.276 4.939 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1C ZINC000408889646 1066682272 /nfs/dbraw/zinc/68/22/72/1066682272.db2.gz IKPFBCZGOSWCOV-AFUMVMLFSA-N 0 0 503.418 4.966 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000408890049 1066681412 /nfs/dbraw/zinc/68/14/12/1066681412.db2.gz NBIKNKFSWNKHLV-YDZHTSKRSA-N 0 0 565.358 4.878 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000408890096 1066681365 /nfs/dbraw/zinc/68/13/65/1066681365.db2.gz NSECCAHCBPVEMA-YDZHTSKRSA-N 0 0 612.358 4.720 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 ZINC000408890743 1066680750 /nfs/dbraw/zinc/68/07/50/1066680750.db2.gz YNNBQXCRURUCMB-BKUYFWCQSA-N 0 0 667.459 4.876 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)c1ccc(OC)cc1 ZINC000408890769 1066259039 /nfs/dbraw/zinc/25/90/39/1066259039.db2.gz YWTVLMRVLFHHSP-CVKSISIWSA-N 0 0 547.427 4.696 40 30 KJEBRN O=S(=O)(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1 ZINC000408890898 1066677125 /nfs/dbraw/zinc/67/71/25/1066677125.db2.gz IEGBYUHZZBRVMD-YDZHTSKRSA-N 0 0 618.234 4.787 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)c1ccccc1 ZINC000408892786 1066680686 /nfs/dbraw/zinc/68/06/86/1066680686.db2.gz CLSQQQVSWPPRRZ-MFKUBSTISA-N 0 0 517.401 4.688 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(I)c1OC ZINC000408892907 1066679777 /nfs/dbraw/zinc/67/97/77/1066679777.db2.gz AIBUSWRMSKGEFF-UHFFFAOYSA-N 0 0 507.368 4.742 40 30 KJEBRN CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)cc1OC ZINC000408892921 1066679765 /nfs/dbraw/zinc/67/97/65/1066679765.db2.gz AMOHKNILJBNAGE-UHFFFAOYSA-N 0 0 504.421 4.916 40 30 KJEBRN CCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)cc1OC ZINC000408892931 1066679726 /nfs/dbraw/zinc/67/97/26/1066679726.db2.gz ARGZVFMHNVIDIV-UHFFFAOYSA-N 0 0 551.421 4.758 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(I)c1OCc1ccccc1Cl ZINC000408893024 1066679699 /nfs/dbraw/zinc/67/96/99/1066679699.db2.gz DYXLCUCSCIVBMU-ZMOGYAJESA-N 0 0 556.809 4.845 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC)c3OS(=O)(=O)c3ccc(C)cc3)S2)cc1 ZINC000408893047 1066679710 /nfs/dbraw/zinc/67/97/10/1066679710.db2.gz DWBPKPCSYIWVLH-JCMHNJIXSA-N 0 0 510.593 4.672 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000408893962 1066199923 /nfs/dbraw/zinc/19/99/23/1066199923.db2.gz HGLULVGSZIONHT-PDGQHHTCSA-N 0 0 522.364 4.765 40 30 KJEBRN CCOc1c(I)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC ZINC000408894324 1066679116 /nfs/dbraw/zinc/67/91/16/1066679116.db2.gz FMHZSAAGWUFWMM-UHFFFAOYSA-N 0 0 507.368 4.742 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)S2)cc1 ZINC000408894420 1066679061 /nfs/dbraw/zinc/67/90/61/1066679061.db2.gz IBGKHRNANYXKBI-XKZIYDEJSA-N 0 0 525.564 4.571 40 30 KJEBRN CCOc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1I ZINC000408894716 1066679005 /nfs/dbraw/zinc/67/90/05/1066679005.db2.gz IVBRXKHKYUAKAP-QGMBQPNBSA-N 0 0 582.092 4.557 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)cc(I)c1OC ZINC000408894777 1066679088 /nfs/dbraw/zinc/67/90/88/1066679088.db2.gz FVZAXWLNDZJYEL-UHFFFAOYSA-N 0 0 551.421 4.758 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OC(=O)c1ccc(OC)cc1 ZINC000408894914 1066259942 /nfs/dbraw/zinc/25/99/42/1066259942.db2.gz LAYSIUCNEACYHE-CVKSISIWSA-N 0 0 594.427 4.539 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)cc(I)c1O ZINC000408895354 1066678416 /nfs/dbraw/zinc/67/84/16/1066678416.db2.gz HALUXGADULLGSX-UHFFFAOYSA-N 0 0 551.421 4.845 40 30 KJEBRN C#CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)cc1OC ZINC000408895490 1066259735 /nfs/dbraw/zinc/25/97/35/1066259735.db2.gz HWGHTFLUJOIHEF-UHFFFAOYSA-N 0 0 528.443 4.920 40 30 KJEBRN CCCOc1c(I)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC ZINC000408895679 1066259833 /nfs/dbraw/zinc/25/98/33/1066259833.db2.gz IHAXXDUSYFCVMF-UHFFFAOYSA-N 0 0 507.368 4.790 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)cc(Br)c1OC ZINC000408895761 1066677886 /nfs/dbraw/zinc/67/78/86/1066677886.db2.gz IOYOSFFXNPNLTH-UHFFFAOYSA-N 0 0 504.421 4.916 40 30 KJEBRN C#CCOc1c(I)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC ZINC000408895802 1066677699 /nfs/dbraw/zinc/67/76/99/1066677699.db2.gz IRSVNUZTLJQMJU-UHFFFAOYSA-N 0 0 531.390 4.745 40 30 KJEBRN C=CCOc1c(I)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC ZINC000408896302 1066677689 /nfs/dbraw/zinc/67/76/89/1066677689.db2.gz KFOVYXQBKABVCT-UHFFFAOYSA-N 0 0 506.336 4.993 40 30 KJEBRN C=CCOc1c(I)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC ZINC000408896387 1066259901 /nfs/dbraw/zinc/25/99/01/1066259901.db2.gz KSFFUQHYCACUOM-UHFFFAOYSA-N 0 0 505.352 4.566 40 30 KJEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408896434 1066677860 /nfs/dbraw/zinc/67/78/60/1066677860.db2.gz NNNGZTOWNOASDB-ZMOGYAJESA-N 0 0 513.424 4.690 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408896598 1066260472 /nfs/dbraw/zinc/26/04/72/1066260472.db2.gz OPNCSLBKIYXLKO-WYMPLXKRSA-N 0 0 535.376 4.673 40 30 KJEBRN COCCCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OC)c(OC)c2)C2=C1CCCC2=O ZINC000408897370 1066691769 /nfs/dbraw/zinc/69/17/69/1066691769.db2.gz MVNQDZFNGMMWSL-UHFFFAOYSA-N 0 0 504.421 4.916 40 30 KJEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(I)c1OCc1ccccc1 ZINC000408897410 1066691554 /nfs/dbraw/zinc/69/15/54/1066691554.db2.gz RZSSMZFNEZDGGK-BUVRLJJBSA-N 0 0 536.391 4.581 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)c(OS(=O)(=O)c4ccc(C)cc4)c3)S2)cc1 ZINC000408897644 1066691704 /nfs/dbraw/zinc/69/17/04/1066691704.db2.gz ZFAYNOUPEQKAJH-HAHDFKILSA-N 0 0 510.593 4.672 40 30 KJEBRN C#CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)cc1OCC ZINC000408897789 1066691644 /nfs/dbraw/zinc/69/16/44/1066691644.db2.gz OIFRNXWPBZHLLS-UHFFFAOYSA-N 0 0 528.443 4.920 40 30 KJEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)nc1 ZINC000408897872 1066259650 /nfs/dbraw/zinc/25/96/50/1066259650.db2.gz JEHYOMIQCWHQDM-ZVBGSRNCSA-N 0 0 503.225 4.807 40 30 KJEBRN COc1ccc(C(=O)Oc2c(Br)cc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2OC)cc1 ZINC000408898106 1066691668 /nfs/dbraw/zinc/69/16/68/1066691668.db2.gz UORWZSICDXNVDR-WYMPLXKRSA-N 0 0 545.302 4.948 40 30 KJEBRN COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408898159 1066690913 /nfs/dbraw/zinc/69/09/13/1066690913.db2.gz VFNWBFMVVZTDSG-STZFKDTASA-N 0 0 525.564 4.571 40 30 KJEBRN COCCCN1C2=C(C(=O)CCC2)C(c2cc(I)c(OC)c(OC)c2)C2=C1CCCC2=O ZINC000408898292 1066691764 /nfs/dbraw/zinc/69/17/64/1066691764.db2.gz QAZLKADVMHFAAQ-UHFFFAOYSA-N 0 0 551.421 4.758 40 30 KJEBRN COc1ccc(C(=O)Oc2c(Cl)cc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2OC)cc1 ZINC000408898572 1066690826 /nfs/dbraw/zinc/69/08/26/1066690826.db2.gz XATRUGTUUKQGQM-WYMPLXKRSA-N 0 0 500.851 4.839 40 30 KJEBRN C#CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)cc1OC ZINC000408898624 1066690890 /nfs/dbraw/zinc/69/08/90/1066690890.db2.gz QKWLPTXUGSJMEU-UHFFFAOYSA-N 0 0 514.416 4.530 40 30 KJEBRN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OC(C)C ZINC000408898626 1066690910 /nfs/dbraw/zinc/69/09/10/1066690910.db2.gz QMCXPXFICMMHJD-UHFFFAOYSA-N 0 0 507.368 4.788 40 30 KJEBRN C=CCOc1c(I)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC ZINC000408898649 1066690834 /nfs/dbraw/zinc/69/08/34/1066690834.db2.gz QTHKCXJLJIYQAI-UHFFFAOYSA-N 0 0 519.379 4.908 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OC(=O)c1ccc(OC)cc1 ZINC000408898781 1066690146 /nfs/dbraw/zinc/69/01/46/1066690146.db2.gz MZKXQNYHPDANRH-BRJLIKDPSA-N 0 0 562.320 4.667 40 30 KJEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)S2)cc1 ZINC000408898818 1066689878 /nfs/dbraw/zinc/68/98/78/1066689878.db2.gz XUDZEBXKUWRLTG-XKZIYDEJSA-N 0 0 509.565 4.871 40 30 KJEBRN C#CCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)cc1OC ZINC000408899054 1066689925 /nfs/dbraw/zinc/68/99/25/1066689925.db2.gz SFYAUSGVMSTFNW-UHFFFAOYSA-N 0 0 575.443 4.762 40 30 KJEBRN C#CCOc1c(I)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC ZINC000408899398 1066689425 /nfs/dbraw/zinc/68/94/25/1066689425.db2.gz UFQVTKKDGUZWTE-UHFFFAOYSA-N 0 0 518.347 4.830 40 30 KJEBRN C=CCOc1c(I)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC ZINC000408899441 1066689982 /nfs/dbraw/zinc/68/99/82/1066689982.db2.gz UJIGJFPFTOIXAC-UHFFFAOYSA-N 0 0 519.379 4.956 40 30 KJEBRN C#CCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)cc1OCC ZINC000408899530 1066689564 /nfs/dbraw/zinc/68/95/64/1066689564.db2.gz UTYZSZOSGVITQW-UHFFFAOYSA-N 0 0 575.443 4.762 40 30 KJEBRN C=CCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)cc1OC ZINC000408899536 1066689495 /nfs/dbraw/zinc/68/94/95/1066689495.db2.gz UUGSXOOVRUSMBF-UHFFFAOYSA-N 0 0 563.432 4.924 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OCC ZINC000408899585 1066689551 /nfs/dbraw/zinc/68/95/51/1066689551.db2.gz UYJYYPMLVXYVOW-UHFFFAOYSA-N 0 0 507.368 4.790 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OC(=O)c1ccc(OC)cc1 ZINC000408900853 1066261166 /nfs/dbraw/zinc/26/11/66/1066261166.db2.gz YCKDFLKEUDEHKL-BRJLIKDPSA-N 0 0 515.320 4.825 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(I)cc3)cc2Br)C(=O)NC1=S ZINC000408900916 1066688213 /nfs/dbraw/zinc/68/82/13/1066688213.db2.gz AAELJNYFVVNQEF-LICLKQGHSA-N 0 0 627.298 4.844 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)NC1=S ZINC000408900979 1066261516 /nfs/dbraw/zinc/26/15/16/1066261516.db2.gz BBODELMHQRFWLJ-LICLKQGHSA-N 0 0 582.847 4.735 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)C(=O)NC1=S ZINC000408901391 1066687342 /nfs/dbraw/zinc/68/73/42/1066687342.db2.gz DWAMNQVRYCKVLB-LICLKQGHSA-N 0 0 627.298 4.844 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(OCC)c(OCc3ccccc3Cl)cc2Br)C(=O)NC1=S ZINC000408901661 1066686752 /nfs/dbraw/zinc/68/67/52/1066686752.db2.gz HAXVGVQKVIXEJP-MHWRWJLKSA-N 0 0 535.847 4.893 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)C(=O)NC1=S ZINC000408901668 1066261970 /nfs/dbraw/zinc/26/19/70/1066261970.db2.gz AFOPSEMMNSPEDC-RIYZIHGNSA-N 0 0 509.784 4.633 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408901685 1066686760 /nfs/dbraw/zinc/68/67/60/1066686760.db2.gz HFHHPALLKPCBTH-SFQUDFHCSA-N 0 0 507.374 4.718 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)C(=O)NC1=S ZINC000408901706 1066261991 /nfs/dbraw/zinc/26/19/91/1066261991.db2.gz AOXCSGWCDPBVSB-CXUHLZMHSA-N 0 0 644.272 4.596 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)C(=O)NC1=S ZINC000408901713 1066686670 /nfs/dbraw/zinc/68/66/70/1066686670.db2.gz AUILCCKYXXFFSC-DEDYPNTBSA-N 0 0 507.409 4.994 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)C(=O)NC1=S ZINC000408901723 1066686744 /nfs/dbraw/zinc/68/67/44/1066686744.db2.gz AYTHSYFGSOUBQB-CXUHLZMHSA-N 0 0 597.272 4.754 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)NC1=S ZINC000408901733 1066686715 /nfs/dbraw/zinc/68/67/15/1066686715.db2.gz BHSLVDZDEHVJSU-OVCLIPMQSA-N 0 0 581.242 4.512 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)C(=O)NC1=S ZINC000408901754 1066261846 /nfs/dbraw/zinc/26/18/46/1066261846.db2.gz BUYTYPKGYYMELI-CXUHLZMHSA-N 0 0 550.272 4.912 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)NC1=S ZINC000408901800 1066687416 /nfs/dbraw/zinc/68/74/16/1066687416.db2.gz CNXBQNSRJPMVNH-OVCLIPMQSA-N 0 0 509.784 4.633 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)C(=O)NC1=S ZINC000408901801 1066687246 /nfs/dbraw/zinc/68/72/46/1066687246.db2.gz COACAQNIAOMKDC-CXUHLZMHSA-N 0 0 597.272 4.754 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)C(=O)NC1=S ZINC000408901876 1066686690 /nfs/dbraw/zinc/68/66/90/1066686690.db2.gz IFNILIWOSKTSER-WOJGMQOQSA-N 0 0 515.429 4.548 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)C(=O)NC1=S ZINC000408901917 1066686738 /nfs/dbraw/zinc/68/67/38/1066686738.db2.gz IWBDKTRIBIHDTN-KGENOOAVSA-N 0 0 507.409 4.994 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)C(=O)NC1=S ZINC000408901976 1066262053 /nfs/dbraw/zinc/26/20/53/1066262053.db2.gz DDAJFHHRYISODR-CXUHLZMHSA-N 0 0 505.821 4.803 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I ZINC000408901986 1066686708 /nfs/dbraw/zinc/68/67/08/1066686708.db2.gz JOFDCZGTYVIJSO-MHWRWJLKSA-N 0 0 521.152 4.872 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)C(=O)NC1=S ZINC000408902056 1066263050 /nfs/dbraw/zinc/26/30/50/1066263050.db2.gz FAECPCMYLFCNPN-OVCLIPMQSA-N 0 0 756.141 4.892 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)NC1=S ZINC000408902080 1066261460 /nfs/dbraw/zinc/26/14/60/1066261460.db2.gz FJMOOIKEWNCZAD-CXUHLZMHSA-N 0 0 521.820 4.503 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)C(=O)NC1=S ZINC000408902082 1066686700 /nfs/dbraw/zinc/68/67/00/1066686700.db2.gz FLMAHFLKFLVKJR-DEDYPNTBSA-N 0 0 554.409 4.836 40 30 KJEBRN C=CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C(=O)NC1=S ZINC000408902103 1066686009 /nfs/dbraw/zinc/68/60/09/1066686009.db2.gz GDNPWKORUXGCCN-DHDCSXOGSA-N 0 0 521.820 4.503 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)C(=O)NC1=S ZINC000408902144 1066686113 /nfs/dbraw/zinc/68/61/13/1066686113.db2.gz KVNAQEWRTILINC-GZTJUZNOSA-N 0 0 536.245 4.603 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)NC1=S ZINC000408902238 1066686029 /nfs/dbraw/zinc/68/60/29/1066686029.db2.gz GHFPEQBIVQTIPO-VGOFMYFVSA-N 0 0 603.265 4.998 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(Cl)cc3)cc2Br)C(=O)NC1=S ZINC000408902239 1066686083 /nfs/dbraw/zinc/68/60/83/1066686083.db2.gz MKDIWBDBRHIBLH-LICLKQGHSA-N 0 0 535.847 4.893 40 30 KJEBRN C=CCc1cc(C=C2C(=O)NC(=S)N(CC=C)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408902346 1066686036 /nfs/dbraw/zinc/68/60/36/1066686036.db2.gz HTZDGPNCDFRPBH-KGENOOAVSA-N 0 0 541.467 4.968 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)NC1=S ZINC000408902366 1066686139 /nfs/dbraw/zinc/68/61/39/1066686139.db2.gz HXNJLJMGBMPYSK-MHWRWJLKSA-N 0 0 536.245 4.603 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)C(=O)NC1=S ZINC000408902367 1066686053 /nfs/dbraw/zinc/68/60/53/1066686053.db2.gz HYJJMFUVMZEHLF-OQLLNIDSSA-N 0 0 521.820 4.503 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc3ccccc32)C(=O)NC1=S ZINC000408902368 1066686095 /nfs/dbraw/zinc/68/60/95/1066686095.db2.gz NGNBDFOQHIZWDK-KGENOOAVSA-N 0 0 507.409 4.994 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc4ccccc43)c(OC)c2)C(=O)NC1=S ZINC000408902405 1066264407 /nfs/dbraw/zinc/26/44/07/1066264407.db2.gz INVFFGOXAZVNIY-UDWIEESQSA-N 0 0 584.435 4.845 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)C(=O)NC1=S ZINC000408902413 1066264053 /nfs/dbraw/zinc/26/40/53/1066264053.db2.gz NIBQWNOBPHBEEX-LICLKQGHSA-N 0 0 627.298 4.844 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)C(=O)NC1=S ZINC000408902532 1066686073 /nfs/dbraw/zinc/68/60/73/1066686073.db2.gz JFYVIDHFDIMEEN-RIYZIHGNSA-N 0 0 601.235 4.585 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)C(=O)NC1=S ZINC000408902544 1066685446 /nfs/dbraw/zinc/68/54/46/1066685446.db2.gz JMBDADCUUQRGKS-OVCLIPMQSA-N 0 0 601.235 4.585 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)NC1=S ZINC000408902555 1066685421 /nfs/dbraw/zinc/68/54/21/1066685421.db2.gz JVZUXTVULPAEAX-OQLLNIDSSA-N 0 0 536.245 4.603 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)NC1=S ZINC000408902557 1066685455 /nfs/dbraw/zinc/68/54/55/1066685455.db2.gz JWVSANUNLVWLJP-OVCLIPMQSA-N 0 0 581.242 4.512 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)NC1=S ZINC000408902569 1066264071 /nfs/dbraw/zinc/26/40/71/1066264071.db2.gz KEIFMILEFHORNU-OVCLIPMQSA-N 0 0 554.235 4.742 40 30 KJEBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408902570 1066685310 /nfs/dbraw/zinc/68/53/10/1066685310.db2.gz KFAUUIDAJDFFQB-UUYOSTAYSA-N 0 0 518.392 4.679 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C(=O)NC1=S ZINC000408902583 1066264302 /nfs/dbraw/zinc/26/43/02/1066264302.db2.gz KMOFHAKBUVUOHK-OVCLIPMQSA-N 0 0 664.690 4.941 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)C(=O)NC1=S ZINC000408902584 1066199878 /nfs/dbraw/zinc/19/98/78/1066199878.db2.gz KNIQBDOKWPFAEJ-CXUHLZMHSA-N 0 0 521.820 4.503 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)C(=O)NC1=S ZINC000408902612 1066685494 /nfs/dbraw/zinc/68/54/94/1066685494.db2.gz OUKDGQXCYHKKSV-LICLKQGHSA-N 0 0 674.298 4.686 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C(=O)NC1=S ZINC000408902617 1066264090 /nfs/dbraw/zinc/26/40/90/1066264090.db2.gz LCFBJRUTJDNHFX-OVCLIPMQSA-N 0 0 554.235 4.742 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)NC1=S ZINC000408902643 1066685503 /nfs/dbraw/zinc/68/55/03/1066685503.db2.gz PDYIMPNMZAEVBR-LICLKQGHSA-N 0 0 535.847 4.893 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)C(=O)NC1=S ZINC000408902651 1066264211 /nfs/dbraw/zinc/26/42/11/1066264211.db2.gz PFLQSQWIUWAFMT-WOJGMQOQSA-N 0 0 515.429 4.548 40 30 KJEBRN C=CCc1cc(C=C2C(=O)NC(=S)N(CC=C)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000408902735 1066685432 /nfs/dbraw/zinc/68/54/32/1066685432.db2.gz QRNZDERUACPOGX-KGENOOAVSA-N 0 0 588.467 4.810 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(OCC)c(OCc3ccc(C)cc3)cc2Br)C(=O)NC1=S ZINC000408902764 1066685419 /nfs/dbraw/zinc/68/54/19/1066685419.db2.gz RDPHZJRSLFVTNO-WOJGMQOQSA-N 0 0 515.429 4.548 40 30 KJEBRN C=CCc1cc(C=C2C(=O)NC(=S)N(CC=C)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408902869 1066684852 /nfs/dbraw/zinc/68/48/52/1066684852.db2.gz MPAJMFJLEAQHBH-DEDYPNTBSA-N 0 0 527.440 4.578 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)NC1=S ZINC000408902879 1066684825 /nfs/dbraw/zinc/68/48/25/1066684825.db2.gz MUCOUIXONINRPW-DEDYPNTBSA-N 0 0 507.409 4.994 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)NC1=S ZINC000408902897 1066684814 /nfs/dbraw/zinc/68/48/14/1066684814.db2.gz NFCYXFGNDFRJNK-VIZOYTHASA-N 0 0 603.265 4.998 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)C(=O)NC1=S ZINC000408902923 1066685407 /nfs/dbraw/zinc/68/54/07/1066685407.db2.gz SFBQKGSZFLLXCM-LICLKQGHSA-N 0 0 535.847 4.893 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(I)c2)C(=O)NC1=S ZINC000408903012 1066684729 /nfs/dbraw/zinc/68/47/29/1066684729.db2.gz NOEUGWGRSHVZJG-DEDYPNTBSA-N 0 0 554.409 4.836 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)C(=O)NC1=S ZINC000408903013 1066684796 /nfs/dbraw/zinc/68/47/96/1066684796.db2.gz NOIXZBKORHEGCU-CXUHLZMHSA-N 0 0 550.272 4.912 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C(=O)NC1=S ZINC000408903025 1066684878 /nfs/dbraw/zinc/68/48/78/1066684878.db2.gz NZXNXXCOLXVOAE-FYJGNVAPSA-N 0 0 547.549 4.516 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)C(=O)NC1=S ZINC000408903027 1066265081 /nfs/dbraw/zinc/26/50/81/1066265081.db2.gz OBMCIUGFOGXIKO-OVCLIPMQSA-N 0 0 573.239 4.990 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)C(=O)NC1=S ZINC000408903028 1066684862 /nfs/dbraw/zinc/68/48/62/1066684862.db2.gz OBNPXEGVPOVXMN-CXUHLZMHSA-N 0 0 644.272 4.596 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)C(=O)NC1=S ZINC000408903068 1066684696 /nfs/dbraw/zinc/68/46/96/1066684696.db2.gz OSFOJJKVYFGFCS-RIYZIHGNSA-N 0 0 664.690 4.941 40 30 KJEBRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1ccccc1C#N ZINC000408903104 1066684871 /nfs/dbraw/zinc/68/48/71/1066684871.db2.gz PENPLAMMQLYTQB-QRVIBDJDSA-N 0 0 579.419 4.911 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)C(=O)NC1=S ZINC000408903216 1066684740 /nfs/dbraw/zinc/68/47/40/1066684740.db2.gz VVBBNJPOXIORHU-MHWRWJLKSA-N 0 0 535.847 4.893 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)C(=O)NC1=S ZINC000408903262 1066684777 /nfs/dbraw/zinc/68/47/77/1066684777.db2.gz WQXZVRGNJXUEPE-LICLKQGHSA-N 0 0 582.847 4.735 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)C(=O)NC1=S ZINC000408903265 1066265265 /nfs/dbraw/zinc/26/52/65/1066265265.db2.gz WRPUIPGKHNALPV-MHWRWJLKSA-N 0 0 582.847 4.735 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)C(=O)NC1=S ZINC000408903287 1066264933 /nfs/dbraw/zinc/26/49/33/1066264933.db2.gz QIDUWNNYJMSRJU-UDWIEESQSA-N 0 0 584.435 4.845 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)NC1=S ZINC000408903308 1066264988 /nfs/dbraw/zinc/26/49/88/1066264988.db2.gz QNXJZAOYVZSDEY-OVCLIPMQSA-N 0 0 573.239 4.990 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)C(=O)NC1=S ZINC000408903353 1066265108 /nfs/dbraw/zinc/26/51/08/1066265108.db2.gz RKNQFJISFSOBLZ-OVCLIPMQSA-N 0 0 601.235 4.585 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)C(=O)NC1=S ZINC000408903380 1066684126 /nfs/dbraw/zinc/68/41/26/1066684126.db2.gz SEISABQNZOFSIU-RIYZIHGNSA-N 0 0 573.239 4.990 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I ZINC000408903416 1066264820 /nfs/dbraw/zinc/26/48/20/1066264820.db2.gz XLXJRDWMFPMZKR-MHWRWJLKSA-N 0 0 568.152 4.714 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(OCC)c(OCc3cccc(C)c3)cc2Br)C(=O)NC1=S ZINC000408903419 1066684185 /nfs/dbraw/zinc/68/41/85/1066684185.db2.gz XNNRZWWSFTYWGK-WOJGMQOQSA-N 0 0 515.429 4.548 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)NC1=S ZINC000408903493 1066684178 /nfs/dbraw/zinc/68/41/78/1066684178.db2.gz YPTRYILBBPWSPO-KGENOOAVSA-N 0 0 507.409 4.994 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)C(=O)NC1=S ZINC000408903591 1066684077 /nfs/dbraw/zinc/68/40/77/1066684077.db2.gz TYPDKIFIKQVBMI-OVCLIPMQSA-N 0 0 509.784 4.633 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)C(=O)NC1=S ZINC000408903691 1066684110 /nfs/dbraw/zinc/68/41/10/1066684110.db2.gz WKMPISNVJYDDMX-CXUHLZMHSA-N 0 0 505.821 4.803 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)C(=O)NC1=S ZINC000408903722 1066683525 /nfs/dbraw/zinc/68/35/25/1066683525.db2.gz XMDBMKHEYDKAKO-CXUHLZMHSA-N 0 0 566.271 4.612 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)C(=O)NC1=S ZINC000408903732 1066683496 /nfs/dbraw/zinc/68/34/96/1066683496.db2.gz XUDXQMAXZMSJPW-CXUHLZMHSA-N 0 0 521.820 4.503 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C(=O)NC1=S ZINC000408903743 1066264767 /nfs/dbraw/zinc/26/47/67/1066264767.db2.gz YFAHQKCMJCDGSM-HZHRSRAPSA-N 0 0 518.620 4.966 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)C(=O)NC1=S ZINC000408903756 1066683471 /nfs/dbraw/zinc/68/34/71/1066683471.db2.gz YLIRBVXCOVSQDI-CXUHLZMHSA-N 0 0 566.271 4.612 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)NC1=S ZINC000408903791 1066683569 /nfs/dbraw/zinc/68/35/69/1066683569.db2.gz ZDUGNPOJRZOOQX-RIYZIHGNSA-N 0 0 554.235 4.742 40 30 KJEBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1ccccc1C#N ZINC000408903798 1066684102 /nfs/dbraw/zinc/68/41/02/1066684102.db2.gz ZJZBBHSNWPZQOS-KSEXSDGBSA-N 0 0 518.392 4.679 40 30 KJEBRN Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2ccc(O)c(I)c2)S1 ZINC000408904279 1066683588 /nfs/dbraw/zinc/68/35/88/1066683588.db2.gz HKRXULKPIQYGBV-NVNXTCNLSA-N 0 0 515.170 4.959 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc(Br)c1O ZINC000408905778 1066263672 /nfs/dbraw/zinc/26/36/72/1066263672.db2.gz DSASTXODLWTMHG-PUCVJYRNSA-N 0 0 505.390 4.964 40 30 KJEBRN CCCN1C(=O)/C(=C\c2cc(I)c(OCC(N)=O)c(OCC)c2)S/C1=N\c1ccccc1 ZINC000408905821 1066263658 /nfs/dbraw/zinc/26/36/58/1066263658.db2.gz FGBQMHPNODRZHS-BFOGMUFUSA-N 0 0 565.433 4.568 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(Br)c1OCC(N)=O ZINC000408906142 1066682834 /nfs/dbraw/zinc/68/28/34/1066682834.db2.gz HSWBEZAWJARCOG-FXDVSAFYSA-N 0 0 518.433 4.724 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408906152 1066682826 /nfs/dbraw/zinc/68/28/26/1066682826.db2.gz HURPOWLYLFGBDF-MSBDOUPJSA-N 0 0 505.390 4.877 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(I)c1OCC(N)=O ZINC000408906198 1066682877 /nfs/dbraw/zinc/68/28/77/1066682877.db2.gz IECCQCPRSALYIW-JHNUCZAJSA-N 0 0 579.460 4.795 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc(I)c1O ZINC000408906309 1066682838 /nfs/dbraw/zinc/68/28/38/1066682838.db2.gz IGVZIYSLHCNWGN-PUCVJYRNSA-N 0 0 552.390 4.806 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408906800 1066682801 /nfs/dbraw/zinc/68/28/01/1066682801.db2.gz KOYKMYPDGRSMGD-MRWVFDTMSA-N 0 0 639.730 4.665 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408906801 1066682852 /nfs/dbraw/zinc/68/28/52/1066682852.db2.gz KOYKMYPDGRSMGD-NBQDTTAVSA-N 0 0 639.730 4.665 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)ccc1OCC(N)=O ZINC000408906877 1066682808 /nfs/dbraw/zinc/68/28/08/1066682808.db2.gz DVFNOAAJTZURJA-BTYFBGDOSA-N 0 0 501.608 4.796 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(I)c1OCC(N)=O ZINC000408907090 1066682819 /nfs/dbraw/zinc/68/28/19/1066682819.db2.gz LRVSAJSJAWXAER-FXDVSAFYSA-N 0 0 565.433 4.566 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408907226 1066682260 /nfs/dbraw/zinc/68/22/60/1066682260.db2.gz AELJLIMTPCCCPA-GJISQHIDSA-N 0 0 592.098 4.561 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408907230 1066682197 /nfs/dbraw/zinc/68/21/97/1066682197.db2.gz AELJLIMTPCCCPA-YVVITCHPSA-N 0 0 592.098 4.561 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408907233 1066682138 /nfs/dbraw/zinc/68/21/38/1066682138.db2.gz AFNXUONKFNKUDP-FGSNJIQSSA-N 0 0 561.084 4.663 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408907235 1066682241 /nfs/dbraw/zinc/68/22/41/1066682241.db2.gz AFNXUONKFNKUDP-LMTOTAIGSA-N 0 0 561.084 4.663 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408907253 1066682857 /nfs/dbraw/zinc/68/28/57/1066682857.db2.gz AHHQHFYZSGQWBH-FGSNJIQSSA-N 0 0 605.535 4.772 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408907256 1066263720 /nfs/dbraw/zinc/26/37/20/1066263720.db2.gz AHHQHFYZSGQWBH-LMTOTAIGSA-N 0 0 605.535 4.772 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408907316 1066693328 /nfs/dbraw/zinc/69/33/28/1066693328.db2.gz AZVBBMPLYXSCOO-ARYJOXFRSA-N 0 0 558.681 4.571 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408907317 1066693485 /nfs/dbraw/zinc/69/34/85/1066693485.db2.gz AZVBBMPLYXSCOO-JNWJWRTLSA-N 0 0 558.681 4.571 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(I)c1OCC(N)=O ZINC000408907669 1066693392 /nfs/dbraw/zinc/69/33/92/1066693392.db2.gz OOWFLMYAFDDFCE-HWULDFNASA-N 0 0 579.460 4.795 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(Br)c1OCC(N)=O ZINC000408907863 1066265944 /nfs/dbraw/zinc/26/59/44/1066265944.db2.gz PODPIRVJCLEDGG-FXDVSAFYSA-N 0 0 518.433 4.644 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408908083 1066265804 /nfs/dbraw/zinc/26/58/04/1066265804.db2.gz DLFVVKLJWOWGBX-FGSNJIQSSA-N 0 0 635.561 4.780 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408908086 1066265913 /nfs/dbraw/zinc/26/59/13/1066265913.db2.gz DLFVVKLJWOWGBX-LMTOTAIGSA-N 0 0 635.561 4.780 40 30 KJEBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(N)=O)c(OCC)c2)S/C1=N\c1ccccc1 ZINC000408908281 1066266037 /nfs/dbraw/zinc/26/60/37/1066266037.db2.gz RDQIRHRJWMKVTF-BFOGMUFUSA-N 0 0 518.433 4.726 40 30 KJEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408908426 1066693020 /nfs/dbraw/zinc/69/30/20/1066693020.db2.gz CJYWNKVPYSFWBL-MXAYSNPKSA-N 0 0 560.348 4.980 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc(Br)c1OCC(N)=O ZINC000408908494 1066266064 /nfs/dbraw/zinc/26/60/64/1066266064.db2.gz AANGGMMCPUPRCD-FXDVSAFYSA-N 0 0 518.433 4.508 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(Br)c1OCC(N)=O ZINC000408908853 1066692921 /nfs/dbraw/zinc/69/29/21/1066692921.db2.gz SMNUKUXFACKCID-HWULDFNASA-N 0 0 532.460 4.953 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408909206 1066692945 /nfs/dbraw/zinc/69/29/45/1066692945.db2.gz GOORLJCOJGPZJZ-LBLGWMPZSA-N 0 0 599.108 5.000 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408909209 1066692834 /nfs/dbraw/zinc/69/28/34/1066692834.db2.gz GOORLJCOJGPZJZ-ZUXOAJPSSA-N 0 0 599.108 5.000 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000408909219 1066266499 /nfs/dbraw/zinc/26/64/99/1066266499.db2.gz FSIVMCQCADIHHA-UKWGHVSLSA-N 0 0 501.131 4.508 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408909297 1066692866 /nfs/dbraw/zinc/69/28/66/1066692866.db2.gz GFWKSZJEIPAQOX-RAWMCFOBSA-N 0 0 532.326 4.754 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1ccccc1C#N ZINC000408909442 1066693036 /nfs/dbraw/zinc/69/30/36/1066693036.db2.gz HCXYKGGLPCOZRC-ZRGSRPPYSA-N 0 0 543.321 4.890 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408909660 1066266744 /nfs/dbraw/zinc/26/67/44/1066266744.db2.gz GZZYHEPPINKGHL-MAKYVFJGSA-N 0 0 608.716 4.745 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408909666 1066266512 /nfs/dbraw/zinc/26/65/12/1066266512.db2.gz GZZYHEPPINKGHL-QCLXOHTFSA-N 0 0 608.716 4.745 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408909720 1066266456 /nfs/dbraw/zinc/26/64/56/1066266456.db2.gz HFDXICVOLYQJSJ-HXQACLMCSA-N 0 0 609.704 4.635 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408909724 1066692155 /nfs/dbraw/zinc/69/21/55/1066692155.db2.gz HFDXICVOLYQJSJ-UOFRAYPZSA-N 0 0 609.704 4.635 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408910418 1066698698 /nfs/dbraw/zinc/69/86/98/1066698698.db2.gz KESMHXXUBPOEPN-RAWMCFOBSA-N 0 0 579.326 4.596 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408910442 1066698793 /nfs/dbraw/zinc/69/87/93/1066698793.db2.gz IIQGCGVFHXODBT-LMKKRCETSA-N 0 0 572.708 4.961 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408910445 1066698807 /nfs/dbraw/zinc/69/88/07/1066698807.db2.gz IIQGCGVFHXODBT-YMWOEAMWSA-N 0 0 572.708 4.961 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc(Br)c1OCC(N)=O ZINC000408910798 1066698056 /nfs/dbraw/zinc/69/80/56/1066698056.db2.gz HZTCMRFKDRHWGF-LOJSRYSBSA-N 0 0 532.460 4.898 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(Br)c1OCC(N)=O ZINC000408911034 1066697967 /nfs/dbraw/zinc/69/79/67/1066697967.db2.gz YEKYILPJGLHAQY-JHNUCZAJSA-N 0 0 532.460 4.953 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408911105 1066266483 /nfs/dbraw/zinc/26/64/83/1066266483.db2.gz JCZFWMIXHNJOSO-AHQATDLNSA-N 0 0 644.547 4.999 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408911107 1066698068 /nfs/dbraw/zinc/69/80/68/1066698068.db2.gz JCZFWMIXHNJOSO-AYTQJLEDSA-N 0 0 644.547 4.999 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1Br ZINC000408911527 1066698023 /nfs/dbraw/zinc/69/80/23/1066698023.db2.gz ZUDPPHGVHDQVNJ-GQKMNLJRSA-N 0 0 547.427 4.802 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408911969 1066266699 /nfs/dbraw/zinc/26/66/99/1066266699.db2.gz PEQMRBMOQBWBGQ-ROTLSHHCSA-N 0 0 514.336 4.615 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc(I)c1OCC(N)=O ZINC000408912471 1066697356 /nfs/dbraw/zinc/69/73/56/1066697356.db2.gz QWXWQHCYIKSHEM-LOJSRYSBSA-N 0 0 579.460 4.740 40 30 KJEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1OCC(N)=O ZINC000408912523 1066264918 /nfs/dbraw/zinc/26/49/18/1066264918.db2.gz NJBXQAPXSQSRAK-MVTOYSBASA-N 0 0 501.608 4.714 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408912810 1066265866 /nfs/dbraw/zinc/26/58/66/1066265866.db2.gz LVSAXEQHCVAKQI-GARKAJJMSA-N 0 0 587.701 4.922 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408912815 1066265771 /nfs/dbraw/zinc/26/57/71/1066265771.db2.gz LVSAXEQHCVAKQI-GRPHBVMCSA-N 0 0 587.701 4.922 40 30 KJEBRN C=CCOc1c(I)cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1I ZINC000408913171 1066697559 /nfs/dbraw/zinc/69/75/59/1066697559.db2.gz SZHRREYLOJBUDE-GRSHGNNSSA-N 0 0 549.106 4.815 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408913440 1066267274 /nfs/dbraw/zinc/26/72/74/1066267274.db2.gz UPJNQUMWRHCOOQ-RAWMCFOBSA-N 0 0 532.326 4.754 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408913480 1066696734 /nfs/dbraw/zinc/69/67/34/1066696734.db2.gz MQCGPPLSZXVXGS-GJISQHIDSA-N 0 0 606.523 4.662 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408913482 1066696779 /nfs/dbraw/zinc/69/67/79/1066696779.db2.gz MQCGPPLSZXVXGS-YVVITCHPSA-N 0 0 606.523 4.662 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408913539 1066696803 /nfs/dbraw/zinc/69/68/03/1066696803.db2.gz VKAZLYLCLRBOIJ-MYKKPKGFSA-N 0 0 563.308 4.926 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(Br)c(OCC#N)c(OC)c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408913724 1066696799 /nfs/dbraw/zinc/69/67/99/1066696799.db2.gz UBVZBIFILLGZET-BFOGMUFUSA-N 0 0 530.400 4.771 40 30 KJEBRN CCCN1C(=O)/C(=C\c2cc(I)c(OCC(N)=O)c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913739 1066696757 /nfs/dbraw/zinc/69/67/57/1066696757.db2.gz RKDNJOHZIQKEMN-LOJSRYSBSA-N 0 0 579.460 4.876 40 30 KJEBRN C=CCc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408913827 1066696743 /nfs/dbraw/zinc/69/67/43/1066696743.db2.gz NYYXBROEPCFDPN-LICLKQGHSA-N 0 0 505.423 4.956 40 30 KJEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408914039 1066696729 /nfs/dbraw/zinc/69/67/29/1066696729.db2.gz XEQSJDGXWDFCMC-ZRGSRPPYSA-N 0 0 528.363 4.923 40 30 KJEBRN C=CCOc1c(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1I ZINC000408914201 1066696636 /nfs/dbraw/zinc/69/66/36/1066696636.db2.gz XKEXGXHVCJYNMB-GRSHGNNSSA-N 0 0 502.106 4.973 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408914486 1066696211 /nfs/dbraw/zinc/69/62/11/1066696211.db2.gz OANGCJFNYYPUBM-AHQATDLNSA-N 0 0 721.573 4.850 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408914488 1066696092 /nfs/dbraw/zinc/69/60/92/1066696092.db2.gz OANGCJFNYYPUBM-AYTQJLEDSA-N 0 0 721.573 4.850 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(I)c1OCC(N)=O ZINC000408914536 1066268115 /nfs/dbraw/zinc/26/81/15/1066268115.db2.gz YJCCTDUXNJIDSJ-HWULDFNASA-N 0 0 579.460 4.875 40 30 KJEBRN C=CCc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408914999 1066696181 /nfs/dbraw/zinc/69/61/81/1066696181.db2.gz SWUHNESYNRQPBG-VCHYOVAHSA-N 0 0 505.423 4.956 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408915679 1066695441 /nfs/dbraw/zinc/69/54/41/1066695441.db2.gz QNUHMNCNPYNJEG-GJISQHIDSA-N 0 0 683.549 4.513 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408915682 1066696222 /nfs/dbraw/zinc/69/62/22/1066696222.db2.gz QNUHMNCNPYNJEG-YVVITCHPSA-N 0 0 683.549 4.513 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408916025 1066267810 /nfs/dbraw/zinc/26/78/10/1066267810.db2.gz TWOTXUKDECHFPL-FHJMOKKUSA-N 0 0 596.705 4.908 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408916026 1066695415 /nfs/dbraw/zinc/69/54/15/1066695415.db2.gz TWOTXUKDECHFPL-ODRZPYGQSA-N 0 0 596.705 4.908 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408916039 1066695498 /nfs/dbraw/zinc/69/54/98/1066695498.db2.gz TZUGNGJIWWWAQB-AHQATDLNSA-N 0 0 600.096 4.890 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408916040 1066695456 /nfs/dbraw/zinc/69/54/56/1066695456.db2.gz TZUGNGJIWWWAQB-AYTQJLEDSA-N 0 0 600.096 4.890 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408916075 1066695461 /nfs/dbraw/zinc/69/54/61/1066695461.db2.gz ULSFLBLPKODQPL-LBLGWMPZSA-N 0 0 720.585 4.960 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408916076 1066695492 /nfs/dbraw/zinc/69/54/92/1066695492.db2.gz ULSFLBLPKODQPL-ZUXOAJPSSA-N 0 0 720.585 4.960 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408916145 1066267860 /nfs/dbraw/zinc/26/78/60/1066267860.db2.gz VEAIGTHLNYYFMB-QPWQWLJXSA-N 0 0 549.677 4.585 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408916146 1066694845 /nfs/dbraw/zinc/69/48/45/1066694845.db2.gz VEAIGTHLNYYFMB-ZYSRDMNZSA-N 0 0 549.677 4.585 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408916210 1066695423 /nfs/dbraw/zinc/69/54/23/1066695423.db2.gz WBSFFXOSUOQKHT-FGSNJIQSSA-N 0 0 682.561 4.622 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408916211 1066695487 /nfs/dbraw/zinc/69/54/87/1066695487.db2.gz WBSFFXOSUOQKHT-LMTOTAIGSA-N 0 0 682.561 4.622 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000408916294 1066268758 /nfs/dbraw/zinc/26/87/58/1066268758.db2.gz BEVKGRTZDAHEGB-XDHOZWIPSA-N 0 0 564.357 4.847 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408916363 1066694861 /nfs/dbraw/zinc/69/48/61/1066694861.db2.gz WQUDJNDLNMNNGT-GJISQHIDSA-N 0 0 636.549 4.671 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408916364 1066694828 /nfs/dbraw/zinc/69/48/28/1066694828.db2.gz WQUDJNDLNMNNGT-YVVITCHPSA-N 0 0 636.549 4.671 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@@H]1c1cccs1 ZINC000408916404 1066694783 /nfs/dbraw/zinc/69/47/83/1066694783.db2.gz XDYXQMMEJSPEOG-GJISQHIDSA-N 0 0 562.072 4.553 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@H]1c1cccs1 ZINC000408916405 1066694875 /nfs/dbraw/zinc/69/48/75/1066694875.db2.gz XDYXQMMEJSPEOG-YVVITCHPSA-N 0 0 562.072 4.553 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000408916462 1066694852 /nfs/dbraw/zinc/69/48/52/1066694852.db2.gz CSGPNMPJTKQKTL-WOJGMQOQSA-N 0 0 523.323 4.687 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408916500 1066694707 /nfs/dbraw/zinc/69/47/07/1066694707.db2.gz XPCMDMJYNKGQLO-CBPRFPNYSA-N 0 0 588.689 4.813 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408916503 1066694799 /nfs/dbraw/zinc/69/47/99/1066694799.db2.gz XPCMDMJYNKGQLO-ZRYJBNJPSA-N 0 0 588.689 4.813 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)C1=O ZINC000408916562 1066694166 /nfs/dbraw/zinc/69/41/66/1066694166.db2.gz FIMQOHZZYINUCN-CPNJWEJPSA-N 0 0 515.385 4.535 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408916594 1066694262 /nfs/dbraw/zinc/69/42/62/1066694262.db2.gz YIPHEXDSJFJYKD-FGSNJIQSSA-N 0 0 591.110 4.671 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408916595 1066694177 /nfs/dbraw/zinc/69/41/77/1066694177.db2.gz YIPHEXDSJFJYKD-LMTOTAIGSA-N 0 0 591.110 4.671 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408916715 1066694187 /nfs/dbraw/zinc/69/41/87/1066694187.db2.gz GKOJBFYORMZUSR-WOJGMQOQSA-N 0 0 503.330 4.614 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408916844 1066693309 /nfs/dbraw/zinc/69/33/09/1066693309.db2.gz ZTDUJXSBPVSFKT-AHQATDLNSA-N 0 0 630.122 4.899 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408916845 1066693462 /nfs/dbraw/zinc/69/34/62/1066693462.db2.gz ZTDUJXSBPVSFKT-AYTQJLEDSA-N 0 0 630.122 4.899 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000408917040 1066693317 /nfs/dbraw/zinc/69/33/17/1066693317.db2.gz LIMLKCCAKJDKOL-WOJGMQOQSA-N 0 0 523.323 4.687 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000408917061 1066267139 /nfs/dbraw/zinc/26/71/39/1066267139.db2.gz LSUSCJSBHMINHW-XDHOZWIPSA-N 0 0 519.360 4.857 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000408917304 1066707423 /nfs/dbraw/zinc/70/74/23/1066707423.db2.gz QTKBKOJHTGDAHR-DEDYPNTBSA-N 0 0 576.412 4.685 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(I)cc3)c(OCC)c2)C1=O ZINC000408917502 1066707450 /nfs/dbraw/zinc/70/74/50/1066707450.db2.gz VVDVLKFOISAZII-DEDYPNTBSA-N 0 0 519.360 4.938 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000408917506 1066267282 /nfs/dbraw/zinc/26/72/82/1066267282.db2.gz VWRVETDEEPHHFF-XDHOZWIPSA-N 0 0 519.360 4.857 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408917643 1066267379 /nfs/dbraw/zinc/26/73/79/1066267379.db2.gz ZBFYGVSBVLNCMU-FYJGNVAPSA-N 0 0 512.540 4.510 40 30 KJEBRN C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408917835 1066267329 /nfs/dbraw/zinc/26/73/29/1066267329.db2.gz BTXDQKQYLFOLST-HAHDFKILSA-N 0 0 502.567 4.973 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408917936 1066706591 /nfs/dbraw/zinc/70/65/91/1066706591.db2.gz CXCCMEGKZNSMNU-VXLYETTFSA-N 0 0 503.330 4.614 40 30 KJEBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccccc3C#N)cc2Br)C1=O ZINC000408918790 1066705985 /nfs/dbraw/zinc/70/59/85/1066705985.db2.gz PCOVBGLTAMZTRU-UFFVCSGVSA-N 0 0 545.411 4.898 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408919576 1066705672 /nfs/dbraw/zinc/70/56/72/1066705672.db2.gz BEQHOHLFDQUKTR-UTWPHBJQSA-N 0 0 678.399 4.905 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408919577 1066705545 /nfs/dbraw/zinc/70/55/45/1066705545.db2.gz BEQHOHLFDQUKTR-VPVLBGOXSA-N 0 0 678.399 4.905 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000408919653 1066271017 /nfs/dbraw/zinc/27/10/17/1066271017.db2.gz ZSNPMGCEXOXRGY-VXLYETTFSA-N 0 0 503.330 4.614 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OCC)=C(CCC)N=2 ZINC000408919844 1066705538 /nfs/dbraw/zinc/70/55/38/1066705538.db2.gz DFTFWTKZQLHPDP-FQWPPLDYSA-N 0 0 573.534 4.967 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OCC)=C(CCC)N=2 ZINC000408919845 1066705679 /nfs/dbraw/zinc/70/56/79/1066705679.db2.gz DFTFWTKZQLHPDP-RNHBDSLOSA-N 0 0 573.534 4.967 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408920041 1066705003 /nfs/dbraw/zinc/70/50/03/1066705003.db2.gz GMXKJDVIOPPSLY-FVUNBJOLSA-N 0 0 601.732 4.739 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408920042 1066704951 /nfs/dbraw/zinc/70/49/51/1066704951.db2.gz GMXKJDVIOPPSLY-KFOJKGMOSA-N 0 0 601.732 4.739 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000408921261 1066703528 /nfs/dbraw/zinc/70/35/28/1066703528.db2.gz MQJAOISNTTYHMP-CMISJSSVSA-N 0 0 564.729 4.872 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000408921262 1066703471 /nfs/dbraw/zinc/70/34/71/1066703471.db2.gz MQJAOISNTTYHMP-DBXPASCUSA-N 0 0 564.729 4.872 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000408921385 1066702877 /nfs/dbraw/zinc/70/28/77/1066702877.db2.gz MZUKKPFWCNTOQD-FUFNRSNVSA-N 0 0 570.070 4.902 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408921389 1066702960 /nfs/dbraw/zinc/70/29/60/1066702960.db2.gz MZUKKPFWCNTOQD-PRLWALMFSA-N 0 0 570.070 4.902 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408921444 1066703300 /nfs/dbraw/zinc/70/33/00/1066703300.db2.gz NGHAPEPHEDBMFY-GJFKPFFXSA-N 0 0 583.131 4.583 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408921450 1066270310 /nfs/dbraw/zinc/27/03/10/1066270310.db2.gz NGHAPEPHEDBMFY-LWUPDDLQSA-N 0 0 583.131 4.583 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408922132 1066270400 /nfs/dbraw/zinc/27/04/00/1066270400.db2.gz NPLMKMCTHOQYBA-CLNXTWJPSA-N 0 0 659.558 4.727 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408922133 1066702809 /nfs/dbraw/zinc/70/28/09/1066702809.db2.gz NPLMKMCTHOQYBA-ZHGFHMGHSA-N 0 0 659.558 4.727 40 30 KJEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OCC#N)ccc5ccccc54)c(=O)n32)c1 ZINC000408922332 1066702409 /nfs/dbraw/zinc/70/24/09/1066702409.db2.gz DDPRSBRPHACCEN-DEDRDRDXSA-N 0 0 586.673 4.938 40 30 KJEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OCC#N)ccc5ccccc54)c(=O)n32)c1 ZINC000408922338 1066702396 /nfs/dbraw/zinc/70/23/96/1066702396.db2.gz DDPRSBRPHACCEN-ITNAUSPISA-N 0 0 586.673 4.938 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408922440 1066702481 /nfs/dbraw/zinc/70/24/81/1066702481.db2.gz DZCAUNYKUYARGO-HDFSHUSISA-N 0 0 551.668 4.977 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408922446 1066702283 /nfs/dbraw/zinc/70/22/83/1066702283.db2.gz DZCAUNYKUYARGO-LAUBZIAYSA-N 0 0 551.668 4.977 40 30 KJEBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(OCC#N)ccc5ccccc54)c(=O)n32)cc1 ZINC000408923019 1066702497 /nfs/dbraw/zinc/70/24/97/1066702497.db2.gz ORZKYRSDRDBNGQ-ASZNLBCTSA-N 0 0 569.708 4.964 40 30 KJEBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(OCC#N)ccc5ccccc54)c(=O)n32)cc1 ZINC000408923022 1066702367 /nfs/dbraw/zinc/70/23/67/1066702367.db2.gz ORZKYRSDRDBNGQ-YNMQQHPQSA-N 0 0 569.708 4.964 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408923533 1066272332 /nfs/dbraw/zinc/27/23/32/1066272332.db2.gz FVLRLVMIIKDVCT-UXCHMGEPSA-N 0 0 563.679 4.593 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408923537 1066701867 /nfs/dbraw/zinc/70/18/67/1066701867.db2.gz FVLRLVMIIKDVCT-ZJZHBOIVSA-N 0 0 563.679 4.593 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OCC#N)cc3)sc2=N1 ZINC000408923573 1066701731 /nfs/dbraw/zinc/70/17/31/1066701731.db2.gz GABRBMOTEAPKQZ-HPFVHPJRSA-N 0 0 529.662 4.604 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(OCC#N)cc3)sc2=N1 ZINC000408923575 1066272525 /nfs/dbraw/zinc/27/25/25/1066272525.db2.gz GABRBMOTEAPKQZ-WHNPURCTSA-N 0 0 529.662 4.604 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408923656 1066272634 /nfs/dbraw/zinc/27/26/34/1066272634.db2.gz HAALWBIHDCAZIW-ASZNLBCTSA-N 0 0 617.521 4.735 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408923660 1066701701 /nfs/dbraw/zinc/70/17/01/1066701701.db2.gz HAALWBIHDCAZIW-YNMQQHPQSA-N 0 0 617.521 4.735 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4OCc4ccc(C#N)cc4)c(=O)n32)cc1 ZINC000408924036 1066701287 /nfs/dbraw/zinc/70/12/87/1066701287.db2.gz PTXPDOBKSKJXJC-OBDCIHEFSA-N 0 0 579.678 4.646 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4OCc4ccc(C#N)cc4)c(=O)n32)cc1 ZINC000408924038 1066701380 /nfs/dbraw/zinc/70/13/80/1066701380.db2.gz PTXPDOBKSKJXJC-SJXDCSIJSA-N 0 0 579.678 4.646 40 30 KJEBRN CCN1C2=C(C(=O)CCC2)C(c2cc(I)c(OC)c(OC)c2)C2=C1CCCC2=O ZINC000408924178 1066701112 /nfs/dbraw/zinc/70/11/12/1066701112.db2.gz QRIPNRDKPHGXEV-UHFFFAOYSA-N 0 0 507.368 4.742 40 30 KJEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408924423 1066701389 /nfs/dbraw/zinc/70/13/89/1066701389.db2.gz ISBIFAMWQSXYSD-HPFVHPJRSA-N 0 0 540.044 4.539 40 30 KJEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408924424 1066701325 /nfs/dbraw/zinc/70/13/25/1066701325.db2.gz ISBIFAMWQSXYSD-WHNPURCTSA-N 0 0 540.044 4.539 40 30 KJEBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cccc(OCC#N)c3)sc2=N1 ZINC000408924476 1066700562 /nfs/dbraw/zinc/70/05/62/1066700562.db2.gz JBITYHYMICYBMF-CVXGXVHTSA-N 0 0 548.668 4.900 40 30 KJEBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cccc(OCC#N)c3)sc2=N1 ZINC000408924480 1066273048 /nfs/dbraw/zinc/27/30/48/1066273048.db2.gz JBITYHYMICYBMF-ZIRCPPMYSA-N 0 0 548.668 4.900 40 30 KJEBRN CCCN1C2=C(C(=O)CCC2)C(c2cc(I)c(O)c(OC)c2)C2=C1CCCC2=O ZINC000408924819 1066273277 /nfs/dbraw/zinc/27/32/77/1066273277.db2.gz RIGAHLFKEPJDCH-UHFFFAOYSA-N 0 0 507.368 4.829 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(CC#N)c5ccccc45)c(=O)n32)cc1 ZINC000408924869 1066273211 /nfs/dbraw/zinc/27/32/11/1066273211.db2.gz RNOOYKFLVTVXBW-DDBFQISPSA-N 0 0 573.678 4.751 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(CC#N)c5ccccc45)c(=O)n32)cc1 ZINC000408924872 1066272959 /nfs/dbraw/zinc/27/29/59/1066272959.db2.gz RNOOYKFLVTVXBW-WWWKDLBZSA-N 0 0 573.678 4.751 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408924881 1066700456 /nfs/dbraw/zinc/70/04/56/1066700456.db2.gz RQDYNIAUXGAJTF-FHMSYZJOSA-N 0 0 546.689 4.885 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1C ZINC000408924882 1066272923 /nfs/dbraw/zinc/27/29/23/1066272923.db2.gz PFRGUQJIBUOFQE-AFUMVMLFSA-N 0 0 550.418 4.808 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408924884 1066273125 /nfs/dbraw/zinc/27/31/25/1066273125.db2.gz RQDYNIAUXGAJTF-OXWVMCNISA-N 0 0 546.689 4.885 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408925400 1066700099 /nfs/dbraw/zinc/70/00/99/1066700099.db2.gz KEADAPVNRKUQEI-CVXGXVHTSA-N 0 0 584.097 4.938 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408925401 1066271201 /nfs/dbraw/zinc/27/12/01/1066271201.db2.gz KEADAPVNRKUQEI-ZIRCPPMYSA-N 0 0 584.097 4.938 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408925414 1066700407 /nfs/dbraw/zinc/70/04/07/1066700407.db2.gz KNAGYDNUKXXAKT-CLNXTWJPSA-N 0 0 584.694 4.924 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408925415 1066700676 /nfs/dbraw/zinc/70/06/76/1066700676.db2.gz KNAGYDNUKXXAKT-ZHGFHMGHSA-N 0 0 584.694 4.924 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000408925433 1066700639 /nfs/dbraw/zinc/70/06/39/1066700639.db2.gz KWKMOTLIJNMFMX-ASZNLBCTSA-N 0 0 639.568 4.760 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000408925434 1066700669 /nfs/dbraw/zinc/70/06/69/1066700669.db2.gz KWKMOTLIJNMFMX-YNMQQHPQSA-N 0 0 639.568 4.760 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(SC)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408925637 1066699980 /nfs/dbraw/zinc/69/99/80/1066699980.db2.gz SDKVLPIPVFNVEI-GJFKPFFXSA-N 0 0 597.556 4.683 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(SC)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408925640 1066271147 /nfs/dbraw/zinc/27/11/47/1066271147.db2.gz SDKVLPIPVFNVEI-LWUPDDLQSA-N 0 0 597.556 4.683 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408925747 1066699986 /nfs/dbraw/zinc/69/99/86/1066699986.db2.gz SSMJGFGMGWIKOK-ATGSENMFSA-N 0 0 593.705 4.683 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408925748 1066270813 /nfs/dbraw/zinc/27/08/13/1066270813.db2.gz SSMJGFGMGWIKOK-HODAZCCQSA-N 0 0 593.705 4.683 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408926359 1066272031 /nfs/dbraw/zinc/27/20/31/1066272031.db2.gz MXBSHCQLATYUAG-FHMSYZJOSA-N 0 0 584.097 4.856 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408926361 1066699156 /nfs/dbraw/zinc/69/91/56/1066699156.db2.gz MXBSHCQLATYUAG-OXWVMCNISA-N 0 0 584.097 4.856 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc(C#N)cc5)cc4)c(=O)n32)cc1 ZINC000408926875 1066699139 /nfs/dbraw/zinc/69/91/39/1066699139.db2.gz NSMMQQRJSHKHLG-OBDCIHEFSA-N 0 0 579.678 4.646 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc(C#N)cc5)cc4)c(=O)n32)cc1 ZINC000408926878 1066699185 /nfs/dbraw/zinc/69/91/85/1066699185.db2.gz NSMMQQRJSHKHLG-SJXDCSIJSA-N 0 0 579.678 4.646 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(I)c1O ZINC000408926982 1066272911 /nfs/dbraw/zinc/27/29/11/1066272911.db2.gz VCMLAMSUFFCATC-UHFFFAOYSA-N 0 0 507.368 4.829 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1 ZINC000408927044 1066272938 /nfs/dbraw/zinc/27/29/38/1066272938.db2.gz ZISFMMXCBJXNFL-DHRITJCHSA-N 0 0 554.381 4.639 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408927062 1066698783 /nfs/dbraw/zinc/69/87/83/1066698783.db2.gz OMHZGQAAPJRBFD-BIWBSIMWSA-N 0 0 618.509 4.625 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408927067 1066698803 /nfs/dbraw/zinc/69/88/03/1066698803.db2.gz OMHZGQAAPJRBFD-ZGOFBEGVSA-N 0 0 618.509 4.625 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408927284 1066711021 /nfs/dbraw/zinc/71/10/21/1066711021.db2.gz PBCBMHNTVVINGX-HPFVHPJRSA-N 0 0 557.697 4.899 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408927287 1066710963 /nfs/dbraw/zinc/71/09/63/1066710963.db2.gz PBCBMHNTVVINGX-WHNPURCTSA-N 0 0 557.697 4.899 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408927293 1066711001 /nfs/dbraw/zinc/71/10/01/1066711001.db2.gz PJCIBZASZKIVIA-FIXXDFOUSA-N 0 0 618.715 4.690 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408927295 1066711103 /nfs/dbraw/zinc/71/11/03/1066711103.db2.gz PJCIBZASZKIVIA-JHUDVDCUSA-N 0 0 618.715 4.690 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000408927391 1066711144 /nfs/dbraw/zinc/71/11/44/1066711144.db2.gz WMEVIOFOPHFJRH-GTWFGUSFSA-N 0 0 597.158 4.973 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000408927392 1066711110 /nfs/dbraw/zinc/71/11/10/1066711110.db2.gz WMEVIOFOPHFJRH-SJJVXOANSA-N 0 0 597.158 4.973 40 30 KJEBRN C#CCOc1c(I)cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC ZINC000408927978 1066710008 /nfs/dbraw/zinc/71/00/08/1066710008.db2.gz ZEFZERMVCGJLIY-UHFFFAOYSA-N 0 0 531.390 4.745 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408928009 1066710115 /nfs/dbraw/zinc/71/01/15/1066710115.db2.gz UHCVJFAXBNPLTL-QKSFETHESA-N 0 0 583.131 4.584 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408928010 1066710082 /nfs/dbraw/zinc/71/00/82/1066710082.db2.gz UHCVJFAXBNPLTL-ZDQFFALBSA-N 0 0 583.131 4.584 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408928050 1066273983 /nfs/dbraw/zinc/27/39/83/1066273983.db2.gz VHGTXODMPOMJPC-GTWFGUSFSA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408928051 1066710018 /nfs/dbraw/zinc/71/00/18/1066710018.db2.gz VHGTXODMPOMJPC-SJJVXOANSA-N 0 0 613.530 4.533 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408928077 1066274446 /nfs/dbraw/zinc/27/44/46/1066274446.db2.gz VUEDMOCWOMQSKO-FCYPAOMHSA-N 0 0 590.126 5.000 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000408928078 1066710003 /nfs/dbraw/zinc/71/00/03/1066710003.db2.gz VUEDMOCWOMQSKO-KDSDTBODSA-N 0 0 590.126 5.000 40 30 KJEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1c(OC)ccc3ccccc31)C(C(=O)OCC)=C(CCC)N=2 ZINC000408928083 1066710397 /nfs/dbraw/zinc/71/03/97/1066710397.db2.gz WARUHZQLOHNACE-LBLGWMPZSA-N 0 0 566.679 4.752 40 30 KJEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1c(OC)ccc3ccccc31)C(C(=O)OCC)=C(CCC)N=2 ZINC000408928084 1066709528 /nfs/dbraw/zinc/70/95/28/1066709528.db2.gz WARUHZQLOHNACE-ZUXOAJPSSA-N 0 0 566.679 4.752 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408928100 1066274423 /nfs/dbraw/zinc/27/44/23/1066274423.db2.gz ZKPQFNMGCGFHMC-GJFKPFFXSA-N 0 0 674.582 4.534 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408928101 1066274360 /nfs/dbraw/zinc/27/43/60/1066274360.db2.gz ZKPQFNMGCGFHMC-LWUPDDLQSA-N 0 0 674.582 4.534 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408928133 1066709945 /nfs/dbraw/zinc/70/99/45/1066709945.db2.gz ZWDVRYNLKPTAQS-VPHSIRQSSA-N 0 0 600.096 4.911 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408928134 1066709914 /nfs/dbraw/zinc/70/99/14/1066709914.db2.gz ZWDVRYNLKPTAQS-YVBHXKDBSA-N 0 0 600.096 4.911 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(OCC#N)cc3)sc2=N1 ZINC000408928170 1066710034 /nfs/dbraw/zinc/71/00/34/1066710034.db2.gz WSVJLLOAULKCOV-AHQATDLNSA-N 0 0 567.667 4.643 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(OCC#N)cc3)sc2=N1 ZINC000408928171 1066274335 /nfs/dbraw/zinc/27/43/35/1066274335.db2.gz WSVJLLOAULKCOV-AYTQJLEDSA-N 0 0 567.667 4.643 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408928198 1066274368 /nfs/dbraw/zinc/27/43/68/1066274368.db2.gz XEMPELKWWANYRG-CBPRFPNYSA-N 0 0 596.705 4.908 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408928199 1066274434 /nfs/dbraw/zinc/27/44/34/1066274434.db2.gz XEMPELKWWANYRG-ZRYJBNJPSA-N 0 0 596.705 4.908 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408928240 1066709559 /nfs/dbraw/zinc/70/95/59/1066709559.db2.gz YEGLTOSNQJUZHB-BXMULHQWSA-N 0 0 630.122 4.920 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408928241 1066709497 /nfs/dbraw/zinc/70/94/97/1066709497.db2.gz YEGLTOSNQJUZHB-FZEVDNDPSA-N 0 0 630.122 4.920 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OCC)=C(CCC)N=2 ZINC000408928284 1066274499 /nfs/dbraw/zinc/27/44/99/1066274499.db2.gz ZEFOLHMLPSLAFF-HPFVHPJRSA-N 0 0 542.682 4.805 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OCC)=C(CCC)N=2 ZINC000408928285 1066709541 /nfs/dbraw/zinc/70/95/41/1066709541.db2.gz ZEFOLHMLPSLAFF-WHNPURCTSA-N 0 0 542.682 4.805 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cccc(OCC#N)c3)sc2=N1 ZINC000408928297 1066274462 /nfs/dbraw/zinc/27/44/62/1066274462.db2.gz ZLAPVWLSLKDBSZ-HPFVHPJRSA-N 0 0 529.662 4.604 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cccc(OCC#N)c3)sc2=N1 ZINC000408928298 1066274413 /nfs/dbraw/zinc/27/44/13/1066274413.db2.gz ZLAPVWLSLKDBSZ-WHNPURCTSA-N 0 0 529.662 4.604 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408928302 1066274348 /nfs/dbraw/zinc/27/43/48/1066274348.db2.gz ZNTIJKIXLBLOQE-CVXGXVHTSA-N 0 0 705.574 4.898 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408928303 1066709489 /nfs/dbraw/zinc/70/94/89/1066709489.db2.gz ZNTIJKIXLBLOQE-ZIRCPPMYSA-N 0 0 705.574 4.898 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408928324 1066709537 /nfs/dbraw/zinc/70/95/37/1066709537.db2.gz ZWUXBVNURPNFCW-QPWQWLJXSA-N 0 0 617.496 4.849 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408928325 1066709513 /nfs/dbraw/zinc/70/95/13/1066709513.db2.gz ZWUXBVNURPNFCW-ZYSRDMNZSA-N 0 0 617.496 4.849 40 30 KJEBRN CN1C(=O)/C(=C/c2cc(I)cc(I)c2O)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408928348 1066274524 /nfs/dbraw/zinc/27/45/24/1066274524.db2.gz AFUDJFRCYOAXQO-USFSGSQCSA-N 0 0 647.276 4.672 40 30 KJEBRN COc1cc(OC)c(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1Br ZINC000408928393 1066709162 /nfs/dbraw/zinc/70/91/62/1066709162.db2.gz ASEDNBIRTKNPEB-IAUUDGPGSA-N 0 0 518.433 4.537 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408928409 1066708979 /nfs/dbraw/zinc/70/89/79/1066708979.db2.gz AXQMQYRULLQQRY-SRZZPIQSSA-N 0 0 529.412 4.762 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408928454 1066709070 /nfs/dbraw/zinc/70/90/70/1066709070.db2.gz BLYPDTATYMWVQY-JUAGQRJUSA-N 0 0 508.381 4.801 40 30 KJEBRN CCOCCN1C(=O)/C(=C/c2ccc(OCC(=O)OCC)c(I)c2)S/C1=N/c1ccccc1 ZINC000408928473 1066708939 /nfs/dbraw/zinc/70/89/39/1066708939.db2.gz BSJRYVHTAMUWCG-SYUAUQEVSA-N 0 0 580.444 4.874 40 30 KJEBRN CCOCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OCC)c(OC)c2)S/C1=N/c1ccccc1 ZINC000408928491 1066274472 /nfs/dbraw/zinc/27/44/72/1066274472.db2.gz AJWASQUGOTUITN-QMZRYEGNSA-N 0 0 519.019 4.931 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc(I)c1OC ZINC000408928588 1066709085 /nfs/dbraw/zinc/70/90/85/1066709085.db2.gz DGXWPAJGQUBDAO-SYUAUQEVSA-N 0 0 579.460 4.769 40 30 KJEBRN C/N=C1/S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1C ZINC000408928596 1066274486 /nfs/dbraw/zinc/27/44/86/1066274486.db2.gz CNMLQMMKESUQNE-FJQPQQQZSA-N 0 0 635.221 4.915 40 30 KJEBRN C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1I ZINC000408928599 1066708999 /nfs/dbraw/zinc/70/89/99/1066708999.db2.gz DJZIENQLTOJYOS-GZTJUZNOSA-N 0 0 539.167 4.711 40 30 KJEBRN C/N=C1/S/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C(=O)N1C ZINC000408928693 1066708955 /nfs/dbraw/zinc/70/89/55/1066708955.db2.gz DJRDVIIFKKZMSO-NWJIYFRJSA-N 0 0 508.381 4.719 40 30 KJEBRN CN1C(=O)/C(=C/c2cc(Cl)cc(I)c2O)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408928702 1066709107 /nfs/dbraw/zinc/70/91/07/1066709107.db2.gz DRBPLURUKVZYED-USFSGSQCSA-N 0 0 555.825 4.721 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1OCC ZINC000408928865 1066708988 /nfs/dbraw/zinc/70/89/88/1066708988.db2.gz FMRSJMUJABLSQZ-GBPBPLIESA-N 0 0 603.482 4.772 40 30 KJEBRN C/N=C1/S/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)C(=O)N1C ZINC000408928907 1066709173 /nfs/dbraw/zinc/70/91/73/1066709173.db2.gz FWYBLDXIQLFPBY-MDRWVBAWSA-N 0 0 512.344 4.550 40 30 KJEBRN CCOCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(Br)c2)S/C1=N/c1ccccc1 ZINC000408928967 1066709060 /nfs/dbraw/zinc/70/90/60/1066709060.db2.gz GDWPQWMFEZJJNQ-QJYUKRAPSA-N 0 0 519.417 4.641 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N/c3ccc(N4CCCCC4)cc3)N(CC)C2=O)ccc1OCC(N)=O ZINC000408928971 1066709009 /nfs/dbraw/zinc/70/90/09/1066709009.db2.gz GEGAWOJNFFFGKO-VZNINJQSSA-N 0 0 508.644 4.564 40 30 KJEBRN COC(=O)COc1c(Br)cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1Br ZINC000408929082 1066709031 /nfs/dbraw/zinc/70/90/31/1066709031.db2.gz QLTCBIYZPNATBA-FBIYYNPASA-N 0 0 625.339 4.834 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408929149 1066708446 /nfs/dbraw/zinc/70/84/46/1066708446.db2.gz HRNYLZPBQVBNTC-VTNZUCANSA-N 0 0 518.433 4.706 40 30 KJEBRN CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408929227 1066275133 /nfs/dbraw/zinc/27/51/33/1066275133.db2.gz RYWMLDONRRXXRP-ZDJLDGDNSA-N 0 0 546.624 4.914 40 30 KJEBRN C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1Br ZINC000408929310 1066708372 /nfs/dbraw/zinc/70/83/72/1066708372.db2.gz WBPFIVPZQKIPLS-SGXAETBLSA-N 0 0 512.429 4.532 40 30 KJEBRN CN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408929460 1066708466 /nfs/dbraw/zinc/70/84/66/1066708466.db2.gz JTQMWJUYPNAIIA-GTNDZFBQSA-N 0 0 517.567 4.853 40 30 KJEBRN C/N=C1/S/C(=C/c2cc(I)cc(I)c2OCc2ccccc2C#N)C(=O)N1C ZINC000408929478 1066708359 /nfs/dbraw/zinc/70/83/59/1066708359.db2.gz KAQDLGDKDPXBDG-JUJIDLIQSA-N 0 0 615.234 4.878 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408929649 1066274918 /nfs/dbraw/zinc/27/49/18/1066274918.db2.gz MANAMNLLTOHNFC-JTNUTMTLSA-N 0 0 526.371 4.940 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408929661 1066708409 /nfs/dbraw/zinc/70/84/09/1066708409.db2.gz MGEKNPXPADGGKY-VTNZUCANSA-N 0 0 565.433 4.548 40 30 KJEBRN COC(=O)COc1c(Cl)cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1Cl ZINC000408929707 1066275032 /nfs/dbraw/zinc/27/50/32/1066275032.db2.gz MTUXDBCEWWTBKK-FBIYYNPASA-N 0 0 536.437 4.616 40 30 KJEBRN C/N=C1/S/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)C(=O)N1C ZINC000408929731 1066708534 /nfs/dbraw/zinc/70/85/34/1066708534.db2.gz NDXXHPOWGLVKRO-NWJIYFRJSA-N 0 0 508.381 4.719 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1OCC ZINC000408929747 1066274952 /nfs/dbraw/zinc/27/49/52/1066274952.db2.gz NKYVOFCOILEAAB-KOAGXIKISA-N 0 0 604.523 4.860 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408929760 1066708560 /nfs/dbraw/zinc/70/85/60/1066708560.db2.gz NRFGIVSHLNIQFB-NWJIYFRJSA-N 0 0 553.378 4.709 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408929762 1066708348 /nfs/dbraw/zinc/70/83/48/1066708348.db2.gz NRPTVFLJKDNXNL-NWJIYFRJSA-N 0 0 553.378 4.709 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(I)c1OCc1ccccc1 ZINC000408929801 1066708547 /nfs/dbraw/zinc/70/85/47/1066708547.db2.gz OGYFJBWTVMNRSI-WNEPPRNQSA-N 0 0 508.381 4.801 40 30 KJEBRN CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000408929836 1066274930 /nfs/dbraw/zinc/27/49/30/1066274930.db2.gz OSSAURGUQFXTHO-OOFJHGLJSA-N 0 0 527.238 4.875 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1I ZINC000408929864 1066275003 /nfs/dbraw/zinc/27/50/03/1066275003.db2.gz PBAYMXWPCQYCFC-TWLDDXCASA-N 0 0 568.218 4.773 40 30 KJEBRN CCOCCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)OC)cc2Br)S/C1=N/c1ccccc1 ZINC000408929998 1066275118 /nfs/dbraw/zinc/27/51/18/1066275118.db2.gz QQQWFXKSAIFSLA-JFDXAFBFSA-N 0 0 549.443 4.650 40 30 KJEBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCC#N)C2=O)cc1C ZINC000408930024 1066708397 /nfs/dbraw/zinc/70/83/97/1066708397.db2.gz RAGRDWXWUZDWOV-YBFXNURJSA-N 0 0 500.374 4.643 40 30 KJEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408930032 1066708433 /nfs/dbraw/zinc/70/84/33/1066708433.db2.gz REKNSHOGMOMYDL-GTCAOBFDSA-N 0 0 516.623 4.893 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408930055 1066275170 /nfs/dbraw/zinc/27/51/70/1066275170.db2.gz RKXPJZKFSOMBKO-NWJIYFRJSA-N 0 0 506.378 4.867 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408930172 1066274988 /nfs/dbraw/zinc/27/49/88/1066274988.db2.gz SVJSKOOZQKRPEC-JTNUTMTLSA-N 0 0 526.371 4.940 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1OCC ZINC000408930214 1066708523 /nfs/dbraw/zinc/70/85/23/1066708523.db2.gz UDVQAPJNOJDIDV-WFFFFOTMSA-N 0 0 556.482 4.930 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408930332 1066707889 /nfs/dbraw/zinc/70/78/89/1066707889.db2.gz VNSNCSYTOIQWKA-MJCMWSLQSA-N 0 0 522.396 4.536 40 30 KJEBRN COc1c(I)cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1I ZINC000408930370 1066200786 /nfs/dbraw/zinc/20/07/86/1066200786.db2.gz WDNQNWIYAFDXFY-SFLUQZEPSA-N 0 0 661.303 4.975 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000408930426 1066708012 /nfs/dbraw/zinc/70/80/12/1066708012.db2.gz WXYJANDWXJNBOY-VFOYPBJLSA-N 0 0 518.433 4.706 40 30 KJEBRN CCOCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OCC)c(OC)c2)S/C1=N/c1ccccc1 ZINC000408930463 1066275017 /nfs/dbraw/zinc/27/50/17/1066275017.db2.gz XLIXMSASVKMQDP-QMZRYEGNSA-N 0 0 610.470 4.882 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000408930474 1066707983 /nfs/dbraw/zinc/70/79/83/1066707983.db2.gz XMUXGJAQSSRQGB-BPCDVYBOSA-N 0 0 522.396 4.536 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408930536 1066707968 /nfs/dbraw/zinc/70/79/68/1066707968.db2.gz YHAVAQMONOOAGW-NWJIYFRJSA-N 0 0 506.378 4.867 40 30 KJEBRN COC(=O)COc1c(I)cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1I ZINC000408930574 1066707959 /nfs/dbraw/zinc/70/79/59/1066707959.db2.gz YYKHYDXKBALTFV-FBIYYNPASA-N 0 0 719.339 4.518 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc(Br)c1O ZINC000408930592 1066275512 /nfs/dbraw/zinc/27/55/12/1066275512.db2.gz ZEEOJMBESQIJBU-QJYUKRAPSA-N 0 0 518.433 4.624 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000408930634 1066275626 /nfs/dbraw/zinc/27/56/26/1066275626.db2.gz ZWJPOFHAAZYUKM-WWWHKXPLSA-N 0 0 533.391 4.672 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000408930713 1066708003 /nfs/dbraw/zinc/70/80/03/1066708003.db2.gz BALMCBDXPRRNGI-MOSHPQCFSA-N 0 0 529.412 4.843 40 30 KJEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408930841 1066707810 /nfs/dbraw/zinc/70/78/10/1066707810.db2.gz CSFRDDWLTITIPW-OGLMXYFKSA-N 0 0 571.415 4.905 40 30 KJEBRN CC/N=C1/S/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C(=O)N1CC ZINC000408930909 1066275601 /nfs/dbraw/zinc/27/56/01/1066275601.db2.gz DRKSTQGOZIAECS-SMDKXQNSSA-N 0 0 583.423 4.769 40 30 KJEBRN CCOC(=O)COc1ccc(Br)cc1/C=C1\S/C(=N\c2ccc(OC)cc2)N(CCOC)C1=O ZINC000408930932 1066707870 /nfs/dbraw/zinc/70/78/70/1066707870.db2.gz FAQBMZTZWYFGAM-ZHUSSGSBSA-N 0 0 549.443 4.650 40 30 KJEBRN CC/N=C1/S/C(=C/c2cc(OC)c(OCC(=O)Nc3ccccc3)cc2Br)C(=O)N1CC ZINC000408930952 1066275581 /nfs/dbraw/zinc/27/55/81/1066275581.db2.gz FHBSBBXBZXUDME-RDQSSUSYSA-N 0 0 518.433 4.787 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc1OCC ZINC000408931277 1066275528 /nfs/dbraw/zinc/27/55/28/1066275528.db2.gz JKPIXNMWZMHGAG-RSHXCZGASA-N 0 0 549.045 4.940 40 30 KJEBRN COCCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC)cc1 ZINC000408931354 1066707366 /nfs/dbraw/zinc/70/73/66/1066707366.db2.gz KLZYODREUAOYQS-HVDWSURWSA-N 0 0 517.607 4.963 40 30 KJEBRN CC/N=C1/S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)C(=O)N1CC ZINC000408931406 1066275541 /nfs/dbraw/zinc/27/55/41/1066275541.db2.gz LGLOIBPMXTUCIC-SGFRRPFJSA-N 0 0 506.397 4.918 40 30 KJEBRN CCOc1c(I)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1I ZINC000408931426 1066707483 /nfs/dbraw/zinc/70/74/83/1066707483.db2.gz LKGFPKNOUAZQFN-LPYMAVHISA-N 0 0 562.189 4.882 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc(Cl)c1OCC(=O)OC ZINC000408931538 1066707436 /nfs/dbraw/zinc/70/74/36/1066707436.db2.gz MXZIQXBDBQETLL-USZFSVTMSA-N 0 0 519.019 4.931 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br ZINC000408931717 1066273037 /nfs/dbraw/zinc/27/30/37/1066273037.db2.gz PIJKAVGVFSJUQQ-ZMOGYAJESA-N 0 0 526.225 4.741 40 30 KJEBRN CC/N=C1/S/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)C(=O)N1CC ZINC000408931776 1066716524 /nfs/dbraw/zinc/71/65/24/1066716524.db2.gz QDJVVXOXZHGHAR-IIEVRXRISA-N 0 0 565.433 4.629 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc1OC ZINC000408931845 1066716487 /nfs/dbraw/zinc/71/64/87/1066716487.db2.gz QYGMXPOBZIFWLD-UUNHGKJBSA-N 0 0 626.469 4.501 40 30 KJEBRN CC/N=C1/S/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C(=O)N1CC ZINC000408931868 1066716593 /nfs/dbraw/zinc/71/65/93/1066716593.db2.gz RHEUWXFFRIJLSD-SMDKXQNSSA-N 0 0 536.423 4.926 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cn(Cc5ccccc5C#N)c5ccccc45)c(=O)n32)cc1OCC ZINC000408931976 1066716618 /nfs/dbraw/zinc/71/66/18/1066716618.db2.gz AJZCPAWGYHIVPD-POINLRSSSA-N 0 0 618.715 4.690 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cn(Cc5ccccc5C#N)c5ccccc45)c(=O)n32)cc1OCC ZINC000408931977 1066716476 /nfs/dbraw/zinc/71/64/76/1066716476.db2.gz AJZCPAWGYHIVPD-UXPKFSSHSA-N 0 0 618.715 4.690 40 30 KJEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(I)c1OCC(=O)OC ZINC000408932064 1066716536 /nfs/dbraw/zinc/71/65/36/1066716536.db2.gz SPLWEWXNFPSEPF-VROXFSQNSA-N 0 0 522.261 4.707 40 30 KJEBRN CC/N=C1/S/C(=C/c2cc(OC)c(OCC(=O)Nc3ccc(F)cc3)cc2Br)C(=O)N1CC ZINC000408932134 1066200675 /nfs/dbraw/zinc/20/06/75/1066200675.db2.gz UMCUIWPYZDBUDK-HFBRQWJHSA-N 0 0 536.423 4.926 40 30 KJEBRN COCCN1C(=O)/C(=C/c2ccc(OC)c(I)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408932291 1066716171 /nfs/dbraw/zinc/71/61/71/1066716171.db2.gz VKIRXILNZXOBSI-QFGKFHJGSA-N 0 0 524.380 4.559 40 30 KJEBRN COCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408932351 1066278199 /nfs/dbraw/zinc/27/81/99/1066278199.db2.gz WAVGXTMWUPBJNQ-QJLDTMHYSA-N 0 0 569.861 4.913 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc1OC ZINC000408932492 1066715945 /nfs/dbraw/zinc/71/59/45/1066715945.db2.gz COFGHOZPGHFKGE-USZFSVTMSA-N 0 0 519.019 4.931 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc(Br)c1O ZINC000408932494 1066716078 /nfs/dbraw/zinc/71/60/78/1066716078.db2.gz COOVHUDQXLGBRA-ZZSQQICMSA-N 0 0 507.406 4.812 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)c(Br)cc1OCC(=O)OC ZINC000408932543 1066278168 /nfs/dbraw/zinc/27/81/68/1066278168.db2.gz DDFYTXFLSUCVJO-AVXIRIOFSA-N 0 0 579.469 4.659 40 30 KJEBRN COCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408932558 1066200687 /nfs/dbraw/zinc/20/06/87/1066200687.db2.gz XKFPBWNJCSCULF-HPTASCEQSA-N 0 0 547.633 4.972 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000408932674 1066200629 /nfs/dbraw/zinc/20/06/29/1066200629.db2.gz DLJFIRNLAHVVLJ-MTJSOVHGSA-N 0 0 529.412 4.843 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccccc5C#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408932950 1066715645 /nfs/dbraw/zinc/71/56/45/1066715645.db2.gz FYHGLMIXJLXNRA-POINLRSSSA-N 0 0 639.730 4.665 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccccc5C#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408932951 1066715492 /nfs/dbraw/zinc/71/54/92/1066715492.db2.gz FYHGLMIXJLXNRA-UXPKFSSHSA-N 0 0 639.730 4.665 40 30 KJEBRN C=CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1I ZINC000408933156 1066715590 /nfs/dbraw/zinc/71/55/90/1066715590.db2.gz HYIZFMTZPFEYTG-WQRHYEAKSA-N 0 0 538.338 4.670 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(C)n(Cc5ccc(C#N)cc5)c5ccccc45)c(=O)n32)cc1OCC ZINC000408933636 1066714433 /nfs/dbraw/zinc/71/44/33/1066714433.db2.gz BQMOHKCZCCVELA-RXDSJMIBSA-N 0 0 632.742 4.999 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(C)n(Cc5ccc(C#N)cc5)c5ccccc45)c(=O)n32)cc1OCC ZINC000408933637 1066714594 /nfs/dbraw/zinc/71/45/94/1066714594.db2.gz BQMOHKCZCCVELA-ZINCNNOSSA-N 0 0 632.742 4.999 40 30 KJEBRN COCCN1C(=O)/C(=C\c2cc(Br)c(OC)c(OC)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408933671 1066714996 /nfs/dbraw/zinc/71/49/96/1066714996.db2.gz JWKRRCHDEPJYMM-XFKFKZEQSA-N 0 0 507.406 4.725 40 30 KJEBRN COCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC#N)S/C1=N\c1ccc(OC)cc1 ZINC000408933993 1066276212 /nfs/dbraw/zinc/27/62/12/1066276212.db2.gz KQQCYIQKUYFWGF-UDGIJHFQSA-N 0 0 502.390 4.610 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408934001 1066711058 /nfs/dbraw/zinc/71/10/58/1066711058.db2.gz KQZZWIHVVDOTTO-HYIDZWCSSA-N 0 0 633.948 4.796 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408934003 1066711043 /nfs/dbraw/zinc/71/10/43/1066711043.db2.gz KQZZWIHVVDOTTO-XKKBFUJGSA-N 0 0 633.948 4.796 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408934132 1066276197 /nfs/dbraw/zinc/27/61/97/1066276197.db2.gz LIFBMTGLXSQHAC-JDQXFBDKSA-N 0 0 678.399 4.905 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408934134 1066711511 /nfs/dbraw/zinc/71/15/11/1066711511.db2.gz LIFBMTGLXSQHAC-NXAROGRYSA-N 0 0 678.399 4.905 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC ZINC000408934532 1066714050 /nfs/dbraw/zinc/71/40/50/1066714050.db2.gz LURKNWYPSOBSTD-WQRHYEAKSA-N 0 0 521.364 4.837 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(C#N)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408934731 1066714036 /nfs/dbraw/zinc/71/40/36/1066714036.db2.gz CVFVZKXVUHKZDI-GTGQMDHASA-N 0 0 719.570 4.937 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(C#N)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408934739 1066713848 /nfs/dbraw/zinc/71/38/48/1066713848.db2.gz CVFVZKXVUHKZDI-IMDLGZNOSA-N 0 0 719.570 4.937 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408934882 1066276758 /nfs/dbraw/zinc/27/67/58/1066276758.db2.gz DDLBRABZJYTHLX-CBYYHRJHSA-N 0 0 721.411 4.965 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408934883 1066713839 /nfs/dbraw/zinc/71/38/39/1066713839.db2.gz DDLBRABZJYTHLX-PNZYDNNZSA-N 0 0 721.411 4.965 40 30 KJEBRN COCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S/C1=N\c1ccc(OC)cc1 ZINC000408935279 1066713472 /nfs/dbraw/zinc/71/34/72/1066713472.db2.gz NENDGCDXLGDSRH-HVDWSURWSA-N 0 0 517.607 4.963 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408935418 1066276865 /nfs/dbraw/zinc/27/68/65/1066276865.db2.gz FFDUKRXCUJPGJG-ABBNRAPFSA-N 0 0 595.117 4.650 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408935421 1066713378 /nfs/dbraw/zinc/71/33/78/1066713378.db2.gz FFDUKRXCUJPGJG-CSJROMOCSA-N 0 0 595.117 4.650 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408935426 1066713392 /nfs/dbraw/zinc/71/33/92/1066713392.db2.gz FFQMPVXCCLWVRS-LMSRTUJASA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408935428 1066713300 /nfs/dbraw/zinc/71/33/00/1066713300.db2.gz FFQMPVXCCLWVRS-RISWYLRJSA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC ZINC000408935490 1066713283 /nfs/dbraw/zinc/71/32/83/1066713283.db2.gz HKKPKKHKOCIVME-JAIQZWGSSA-N 0 0 512.260 4.517 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408935531 1066276838 /nfs/dbraw/zinc/27/68/38/1066276838.db2.gz FVUAUANKHAUOPV-CBYYHRJHSA-N 0 0 768.411 4.807 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408935535 1066712767 /nfs/dbraw/zinc/71/27/67/1066712767.db2.gz FVUAUANKHAUOPV-PNZYDNNZSA-N 0 0 768.411 4.807 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408935726 1066277709 /nfs/dbraw/zinc/27/77/09/1066277709.db2.gz NLIROWILJXAKQL-HYIDZWCSSA-N 0 0 725.399 4.747 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408935728 1066277672 /nfs/dbraw/zinc/27/76/72/1066277672.db2.gz NLIROWILJXAKQL-XKKBFUJGSA-N 0 0 725.399 4.747 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Cl ZINC000408935751 1066712796 /nfs/dbraw/zinc/71/27/96/1066712796.db2.gz NNZGNZGSFUOFNF-HYIDZWCSSA-N 0 0 589.497 4.687 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Cl ZINC000408935753 1066712893 /nfs/dbraw/zinc/71/28/93/1066712893.db2.gz NNZGNZGSFUOFNF-XKKBFUJGSA-N 0 0 589.497 4.687 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccccc5C#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408936115 1066712256 /nfs/dbraw/zinc/71/22/56/1066712256.db2.gz OJFMGTAMCIWFPU-FZGKPRDBSA-N 0 0 660.148 4.928 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccccc5C#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408936118 1066712319 /nfs/dbraw/zinc/71/23/19/1066712319.db2.gz OJFMGTAMCIWFPU-IMLSNNMKSA-N 0 0 660.148 4.928 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC#N)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408936187 1066277538 /nfs/dbraw/zinc/27/75/38/1066277538.db2.gz HARDDTJQODFOMM-MFUBYVTQSA-N 0 0 722.399 4.855 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408936190 1066712146 /nfs/dbraw/zinc/71/21/46/1066712146.db2.gz HARDDTJQODFOMM-RWTNITNYSA-N 0 0 722.399 4.855 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408936241 1066712973 /nfs/dbraw/zinc/71/29/73/1066712973.db2.gz FVMPUWWJFFXWMN-IIMDPYCFSA-N 0 0 609.107 4.945 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408936279 1066712103 /nfs/dbraw/zinc/71/21/03/1066712103.db2.gz PAPIZXNTAQSVHJ-HYIDZWCSSA-N 0 0 772.399 4.590 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408936281 1066712341 /nfs/dbraw/zinc/71/23/41/1066712341.db2.gz PAPIZXNTAQSVHJ-XKKBFUJGSA-N 0 0 772.399 4.590 40 30 KJEBRN CCCOc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC ZINC000408936484 1066712283 /nfs/dbraw/zinc/71/22/83/1066712283.db2.gz KLKFOSISXSYLFE-JAIQZWGSSA-N 0 0 514.276 4.741 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408936730 1066711660 /nfs/dbraw/zinc/71/16/60/1066711660.db2.gz FVMPUWWJFFXWMN-ONOZBBEISA-N 0 0 609.107 4.945 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408936777 1066711645 /nfs/dbraw/zinc/71/16/45/1066711645.db2.gz GAALVPAQOGEOJO-DQARITGZSA-N 0 0 586.069 4.521 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408936780 1066711590 /nfs/dbraw/zinc/71/15/90/1066711590.db2.gz GAALVPAQOGEOJO-YRSDHNRQSA-N 0 0 586.069 4.521 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5C#N)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408936957 1066711494 /nfs/dbraw/zinc/71/14/94/1066711494.db2.gz GKKWYAKNCUTUJZ-GTGQMDHASA-N 0 0 719.570 4.937 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5C#N)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408936960 1066711722 /nfs/dbraw/zinc/71/17/22/1066711722.db2.gz GKKWYAKNCUTUJZ-IMDLGZNOSA-N 0 0 719.570 4.937 40 30 KJEBRN CCOC(=O)c1ccc(Cn2c(C)c(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c3ccccc32)cc1 ZINC000408937987 1066727412 /nfs/dbraw/zinc/72/74/12/1066727412.db2.gz AHBZFGYELBLTHM-DERCLOOTSA-N 0 0 683.762 4.695 40 30 KJEBRN CCOC(=O)c1ccc(Cn2c(C)c(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c3ccccc32)cc1 ZINC000408937992 1066727614 /nfs/dbraw/zinc/72/76/14/1066727614.db2.gz AHBZFGYELBLTHM-IAKKDRQZSA-N 0 0 683.762 4.695 40 30 KJEBRN CCOC(=O)c1ccc(Cn2c(C)c(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c3ccccc32)cc1 ZINC000408937995 1066727521 /nfs/dbraw/zinc/72/75/21/1066727521.db2.gz AHBZFGYELBLTHM-QWSDIWATSA-N 0 0 683.762 4.695 40 30 KJEBRN CCOC(=O)c1ccc(Cn2c(C)c(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c3ccccc32)cc1 ZINC000408937998 1066727602 /nfs/dbraw/zinc/72/76/02/1066727602.db2.gz AHBZFGYELBLTHM-VHJDWIEHSA-N 0 0 683.762 4.695 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408938338 1066727009 /nfs/dbraw/zinc/72/70/09/1066727009.db2.gz LMKKSWPEHBUPBZ-HDFSHUSISA-N 0 0 567.667 4.641 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408938341 1066727044 /nfs/dbraw/zinc/72/70/44/1066727044.db2.gz LMKKSWPEHBUPBZ-LAUBZIAYSA-N 0 0 567.667 4.641 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1I ZINC000408938401 1066727024 /nfs/dbraw/zinc/72/70/24/1066727024.db2.gz HSAKQMKQZQYENZ-IYMWYRQMSA-N 0 0 762.791 4.844 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1I ZINC000408938403 1066280706 /nfs/dbraw/zinc/28/07/06/1066280706.db2.gz HSAKQMKQZQYENZ-VMOHIOPYSA-N 0 0 762.791 4.844 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408938405 1066727062 /nfs/dbraw/zinc/72/70/62/1066727062.db2.gz LUWNUQSYUMBASI-MKWGYRPRSA-N 0 0 583.106 4.812 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408938409 1066726966 /nfs/dbraw/zinc/72/69/66/1066726966.db2.gz LUWNUQSYUMBASI-OCEWKHMESA-N 0 0 583.106 4.812 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000408938455 1066726514 /nfs/dbraw/zinc/72/65/14/1066726514.db2.gz AITFWJJHUIQLMU-DEESYGRUSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000408938456 1066726593 /nfs/dbraw/zinc/72/65/93/1066726593.db2.gz AITFWJJHUIQLMU-MZMJXSTFSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000408938457 1066280831 /nfs/dbraw/zinc/28/08/31/1066280831.db2.gz AITFWJJHUIQLMU-PZTKYJRTSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000408938458 1066726561 /nfs/dbraw/zinc/72/65/61/1066726561.db2.gz AITFWJJHUIQLMU-STZNVWQGSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000408938498 1066726678 /nfs/dbraw/zinc/72/66/78/1066726678.db2.gz ANSPHGSDNQWLKZ-BYVFGRFUSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000408938500 1066280679 /nfs/dbraw/zinc/28/06/79/1066280679.db2.gz ANSPHGSDNQWLKZ-DWVWSVQKSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000408938501 1066726659 /nfs/dbraw/zinc/72/66/59/1066726659.db2.gz ANSPHGSDNQWLKZ-WSBHJNERSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000408938504 1066726505 /nfs/dbraw/zinc/72/65/05/1066726505.db2.gz ANSPHGSDNQWLKZ-ZAUYFLTESA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408938532 1066280657 /nfs/dbraw/zinc/28/06/57/1066280657.db2.gz AOXDWPGCVAHWHY-IGVOJETISA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408938534 1066727035 /nfs/dbraw/zinc/72/70/35/1066727035.db2.gz AOXDWPGCVAHWHY-OALKCWSRSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408938536 1066726973 /nfs/dbraw/zinc/72/69/73/1066726973.db2.gz AOXDWPGCVAHWHY-QGQAUETRSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408938537 1066727107 /nfs/dbraw/zinc/72/71/07/1066727107.db2.gz AOXDWPGCVAHWHY-ZMINGMPZSA-N 0 0 603.459 4.774 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(Br)ccc1OC)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408938632 1066726569 /nfs/dbraw/zinc/72/65/69/1066726569.db2.gz AWAURTLSZRCXAL-PLQXQRLBSA-N 0 0 660.384 4.732 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(Br)ccc1OC)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408938634 1066726646 /nfs/dbraw/zinc/72/66/46/1066726646.db2.gz AWAURTLSZRCXAL-VVNKCDPRSA-N 0 0 660.384 4.732 40 30 KJEBRN C=CCOc1cc(Br)c(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408938928 1066726649 /nfs/dbraw/zinc/72/66/49/1066726649.db2.gz MICOJKNOFOVRMX-CRCYZHLCSA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1cc(Br)c(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408938929 1066726496 /nfs/dbraw/zinc/72/64/96/1066726496.db2.gz MICOJKNOFOVRMX-FQKMCRJQSA-N 0 0 627.557 4.921 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccccc5C#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408939078 1066726147 /nfs/dbraw/zinc/72/61/47/1066726147.db2.gz HXQVNKLXPBTECD-FZGKPRDBSA-N 0 0 751.599 4.879 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408939081 1066278224 /nfs/dbraw/zinc/27/82/24/1066278224.db2.gz MUADFNQDYOLTPL-MFUBYVTQSA-N 0 0 769.399 4.697 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccccc5C#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408939082 1066726200 /nfs/dbraw/zinc/72/62/00/1066726200.db2.gz HXQVNKLXPBTECD-IMLSNNMKSA-N 0 0 751.599 4.879 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408939085 1066726141 /nfs/dbraw/zinc/72/61/41/1066726141.db2.gz MUADFNQDYOLTPL-RWTNITNYSA-N 0 0 769.399 4.697 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000408939129 1066726631 /nfs/dbraw/zinc/72/66/31/1066726631.db2.gz AYWNFTGSBQQWIZ-MVCGSSBOSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000408939133 1066726536 /nfs/dbraw/zinc/72/65/36/1066726536.db2.gz AYWNFTGSBQQWIZ-SLABUNATSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000408939136 1066279087 /nfs/dbraw/zinc/27/90/87/1066279087.db2.gz AYWNFTGSBQQWIZ-VDTKIMDMSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000408939140 1066278857 /nfs/dbraw/zinc/27/88/57/1066278857.db2.gz AYWNFTGSBQQWIZ-XKZGXNJQSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000408939318 1066726191 /nfs/dbraw/zinc/72/61/91/1066726191.db2.gz BCVBCVXNYUVOIH-CFXZTRMJSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000408939320 1066726171 /nfs/dbraw/zinc/72/61/71/1066726171.db2.gz BCVBCVXNYUVOIH-JEUQEEEISA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000408939322 1066726208 /nfs/dbraw/zinc/72/62/08/1066726208.db2.gz BCVBCVXNYUVOIH-KKVRIENKSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000408939324 1066726117 /nfs/dbraw/zinc/72/61/17/1066726117.db2.gz BCVBCVXNYUVOIH-RMTYXQARSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000408939337 1066278820 /nfs/dbraw/zinc/27/88/20/1066278820.db2.gz BEEMOSVVVRELER-FLVCQPMSSA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000408939338 1066279104 /nfs/dbraw/zinc/27/91/04/1066279104.db2.gz BEEMOSVVVRELER-FNTKOXOASA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000408939339 1066278920 /nfs/dbraw/zinc/27/89/20/1066278920.db2.gz BEEMOSVVVRELER-JKFHCYMESA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000408939340 1066726133 /nfs/dbraw/zinc/72/61/33/1066726133.db2.gz BEEMOSVVVRELER-OCAWQVEHSA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408939562 1066726257 /nfs/dbraw/zinc/72/62/57/1066726257.db2.gz BKDCTAFTRRENNM-IUXVCIAQSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408939567 1066726125 /nfs/dbraw/zinc/72/61/25/1066726125.db2.gz BKDCTAFTRRENNM-JOTBEHJOSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408939570 1066726156 /nfs/dbraw/zinc/72/61/56/1066726156.db2.gz BKDCTAFTRRENNM-KOMPRGEESA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408939576 1066726299 /nfs/dbraw/zinc/72/62/99/1066726299.db2.gz BKDCTAFTRRENNM-MCZUBNKPSA-N 0 0 697.583 4.866 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408939675 1066279044 /nfs/dbraw/zinc/27/90/44/1066279044.db2.gz BMQPWJNZHKPQJL-IMUJYQDNSA-N 0 0 703.749 4.822 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408939680 1066725798 /nfs/dbraw/zinc/72/57/98/1066725798.db2.gz BMQPWJNZHKPQJL-JHQYDAKKSA-N 0 0 703.749 4.822 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408939685 1066725567 /nfs/dbraw/zinc/72/55/67/1066725567.db2.gz BMQPWJNZHKPQJL-KGVVGWJSSA-N 0 0 703.749 4.822 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408939689 1066278966 /nfs/dbraw/zinc/27/89/66/1066278966.db2.gz BMQPWJNZHKPQJL-VVDKLCIYSA-N 0 0 703.749 4.822 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccc(C#N)cc1 ZINC000408939703 1066725780 /nfs/dbraw/zinc/72/57/80/1066725780.db2.gz BNGLJHJQGXGFEF-DHLXDNGTSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccc(C#N)cc1 ZINC000408939704 1066725760 /nfs/dbraw/zinc/72/57/60/1066725760.db2.gz BNGLJHJQGXGFEF-IVHJRGKWSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccc(C#N)cc1 ZINC000408939706 1066279017 /nfs/dbraw/zinc/27/90/17/1066279017.db2.gz BNGLJHJQGXGFEF-PBBAZZSJSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccc(C#N)cc1 ZINC000408939709 1066278902 /nfs/dbraw/zinc/27/89/02/1066278902.db2.gz BNGLJHJQGXGFEF-XUCRKACVSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408939712 1066725667 /nfs/dbraw/zinc/72/56/67/1066725667.db2.gz BNKNBZYRGUNEKE-BSIOPWIUSA-N 0 0 627.069 4.579 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408939719 1066278774 /nfs/dbraw/zinc/27/87/74/1066278774.db2.gz BNKNBZYRGUNEKE-JRBXKIDESA-N 0 0 627.069 4.579 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408939722 1066278842 /nfs/dbraw/zinc/27/88/42/1066278842.db2.gz BNKNBZYRGUNEKE-QBJCGTOJSA-N 0 0 627.069 4.579 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000408939725 1066201204 /nfs/dbraw/zinc/20/12/04/1066201204.db2.gz BNKNBZYRGUNEKE-YRMQJCIVSA-N 0 0 627.069 4.579 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000408939740 1066279430 /nfs/dbraw/zinc/27/94/30/1066279430.db2.gz BNRXXRGVCNPLMI-DTOFOBAQSA-N 0 0 716.517 4.596 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000408939743 1066725724 /nfs/dbraw/zinc/72/57/24/1066725724.db2.gz BNRXXRGVCNPLMI-LZKPAXCFSA-N 0 0 716.517 4.596 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000408939747 1066725643 /nfs/dbraw/zinc/72/56/43/1066725643.db2.gz BNRXXRGVCNPLMI-MOGAVHOMSA-N 0 0 716.517 4.596 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000408939750 1066725736 /nfs/dbraw/zinc/72/57/36/1066725736.db2.gz BNRXXRGVCNPLMI-WGVCRUSUSA-N 0 0 716.517 4.596 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408939754 1066725589 /nfs/dbraw/zinc/72/55/89/1066725589.db2.gz BOPIQWACKVRHLD-QARYAGPDSA-N 0 0 613.530 4.531 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408939756 1066279743 /nfs/dbraw/zinc/27/97/43/1066279743.db2.gz BOPIQWACKVRHLD-ZSJKCPIUSA-N 0 0 613.530 4.531 40 30 KJEBRN C#CCOc1c(I)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408939990 1066279446 /nfs/dbraw/zinc/27/94/46/1066279446.db2.gz NTOCVDGVXMFGPP-CBYYHRJHSA-N 0 0 676.960 4.856 40 30 KJEBRN C#CCOc1c(I)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408939994 1066725275 /nfs/dbraw/zinc/72/52/75/1066725275.db2.gz NTOCVDGVXMFGPP-PNZYDNNZSA-N 0 0 676.960 4.856 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408940022 1066725828 /nfs/dbraw/zinc/72/58/28/1066725828.db2.gz NUMAQPWJAXHWIF-LMSRTUJASA-N 0 0 674.557 4.764 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408940026 1066725748 /nfs/dbraw/zinc/72/57/48/1066725748.db2.gz NUMAQPWJAXHWIF-RISWYLRJSA-N 0 0 674.557 4.764 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C)cc2Br)o1 ZINC000408940229 1066725282 /nfs/dbraw/zinc/72/52/82/1066725282.db2.gz BTBOYJVGIZHCDA-KIDXGDCMSA-N 0 0 627.492 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C)cc2Br)o1 ZINC000408940233 1066201425 /nfs/dbraw/zinc/20/14/25/1066201425.db2.gz BTBOYJVGIZHCDA-XHXOMLTFSA-N 0 0 627.492 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C)cc2Br)o1 ZINC000408940238 1066725091 /nfs/dbraw/zinc/72/50/91/1066725091.db2.gz BTBOYJVGIZHCDA-XWYAYAJGSA-N 0 0 627.492 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C)cc2Br)o1 ZINC000408940242 1066279730 /nfs/dbraw/zinc/27/97/30/1066279730.db2.gz BTBOYJVGIZHCDA-YZZOYFOPSA-N 0 0 627.492 4.538 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC#N)c(OC)c4)c(=O)n32)cc1 ZINC000408940285 1066201387 /nfs/dbraw/zinc/20/13/87/1066201387.db2.gz CCGLKFMQOSKFTR-FHMSYZJOSA-N 0 0 659.562 4.946 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC#N)c(OC)c4)c(=O)n32)cc1 ZINC000408940290 1066279611 /nfs/dbraw/zinc/27/96/11/1066279611.db2.gz CCGLKFMQOSKFTR-OXWVMCNISA-N 0 0 659.562 4.946 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1C#N ZINC000408940429 1066201185 /nfs/dbraw/zinc/20/11/85/1066201185.db2.gz CBNBLRXESJTYCY-DHLXDNGTSA-N 0 0 668.534 4.965 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1C#N ZINC000408940431 1066725219 /nfs/dbraw/zinc/72/52/19/1066725219.db2.gz CBNBLRXESJTYCY-IVHJRGKWSA-N 0 0 668.534 4.965 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1C#N ZINC000408940432 1066725161 /nfs/dbraw/zinc/72/51/61/1066725161.db2.gz CBNBLRXESJTYCY-PBBAZZSJSA-N 0 0 668.534 4.965 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1C#N ZINC000408940433 1066279691 /nfs/dbraw/zinc/27/96/91/1066279691.db2.gz CBNBLRXESJTYCY-XUCRKACVSA-N 0 0 668.534 4.965 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCc1ccccc1 ZINC000408940441 1066725265 /nfs/dbraw/zinc/72/52/65/1066725265.db2.gz CBVGMXDGCVRNMY-KUQDMNBCSA-N 0 0 658.752 4.913 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCc1ccccc1 ZINC000408940442 1066725172 /nfs/dbraw/zinc/72/51/72/1066725172.db2.gz CBVGMXDGCVRNMY-QLDBFJENSA-N 0 0 658.752 4.913 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCc1ccccc1 ZINC000408940443 1066725079 /nfs/dbraw/zinc/72/50/79/1066725079.db2.gz CBVGMXDGCVRNMY-SBGRWKFVSA-N 0 0 658.752 4.913 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCc1ccccc1 ZINC000408940444 1066725125 /nfs/dbraw/zinc/72/51/25/1066725125.db2.gz CBVGMXDGCVRNMY-VOGHPQIESA-N 0 0 658.752 4.913 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccccc5C#N)c(I)c4)c(=O)n32)cc1OCC ZINC000408940512 1066724791 /nfs/dbraw/zinc/72/47/91/1066724791.db2.gz UVEOLHYTNCPQGK-FZGKPRDBSA-N 0 0 721.573 4.871 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccccc5C#N)c(I)c4)c(=O)n32)cc1OCC ZINC000408940514 1066724657 /nfs/dbraw/zinc/72/46/57/1066724657.db2.gz UVEOLHYTNCPQGK-IMLSNNMKSA-N 0 0 721.573 4.871 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408940647 1066279656 /nfs/dbraw/zinc/27/96/56/1066279656.db2.gz CELDTIKLNWPSFH-BQWLSSAGSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408940652 1066724678 /nfs/dbraw/zinc/72/46/78/1066724678.db2.gz CELDTIKLNWPSFH-CBSHNWSOSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408940656 1066724614 /nfs/dbraw/zinc/72/46/14/1066724614.db2.gz CELDTIKLNWPSFH-NGKRXKQJSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408940660 1066724670 /nfs/dbraw/zinc/72/46/70/1066724670.db2.gz CELDTIKLNWPSFH-XLHOQBSHSA-N 0 0 632.117 4.864 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408940698 1066724752 /nfs/dbraw/zinc/72/47/52/1066724752.db2.gz CHCPSRJTVNTGGA-PLQXQRLBSA-N 0 0 645.959 4.632 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408940703 1066279492 /nfs/dbraw/zinc/27/94/92/1066279492.db2.gz CHCPSRJTVNTGGA-VVNKCDPRSA-N 0 0 645.959 4.632 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408940720 1066724770 /nfs/dbraw/zinc/72/47/70/1066724770.db2.gz CHRZUEWUPWTOBS-DEESYGRUSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408940724 1066724776 /nfs/dbraw/zinc/72/47/76/1066724776.db2.gz CHRZUEWUPWTOBS-MZMJXSTFSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408940727 1066724741 /nfs/dbraw/zinc/72/47/41/1066724741.db2.gz CHRZUEWUPWTOBS-PZTKYJRTSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408940733 1066724762 /nfs/dbraw/zinc/72/47/62/1066724762.db2.gz CHRZUEWUPWTOBS-STZNVWQGSA-N 0 0 701.546 4.696 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC ZINC000408940919 1066279671 /nfs/dbraw/zinc/27/96/71/1066279671.db2.gz VPDZKLVUIDRAGK-LDADJPATSA-N 0 0 516.335 4.697 40 30 KJEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1OCc1ccc(Br)cc1 ZINC000408941204 1066280338 /nfs/dbraw/zinc/28/03/38/1066280338.db2.gz OXDRMBBJGMAHTQ-VIZOYTHASA-N 0 0 528.140 4.957 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408941269 1066724206 /nfs/dbraw/zinc/72/42/06/1066724206.db2.gz CPCYIUJXWZCPPQ-IUXVCIAQSA-N 0 0 789.580 4.698 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408941271 1066724344 /nfs/dbraw/zinc/72/43/44/1066724344.db2.gz CPCYIUJXWZCPPQ-JOTBEHJOSA-N 0 0 789.580 4.698 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408941274 1066724266 /nfs/dbraw/zinc/72/42/66/1066724266.db2.gz CPCYIUJXWZCPPQ-KOMPRGEESA-N 0 0 789.580 4.698 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408941277 1066724241 /nfs/dbraw/zinc/72/42/41/1066724241.db2.gz CPCYIUJXWZCPPQ-MCZUBNKPSA-N 0 0 789.580 4.698 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc3ccccc32)cc1 ZINC000408941292 1066724333 /nfs/dbraw/zinc/72/43/33/1066724333.db2.gz CSVKHNKQPLQZEJ-FXYKXUDXSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc3ccccc32)cc1 ZINC000408941293 1066724223 /nfs/dbraw/zinc/72/42/23/1066724223.db2.gz CSVKHNKQPLQZEJ-LHOCNBBZSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc3ccccc32)cc1 ZINC000408941294 1066724215 /nfs/dbraw/zinc/72/42/15/1066724215.db2.gz CSVKHNKQPLQZEJ-UDRZSBGGSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc3ccccc32)cc1 ZINC000408941295 1066280028 /nfs/dbraw/zinc/28/00/28/1066280028.db2.gz CSVKHNKQPLQZEJ-WXNJTCDMSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccc(F)cc2)cc1Br ZINC000408941302 1066724378 /nfs/dbraw/zinc/72/43/78/1066724378.db2.gz CTSKMHJZOKLPNL-HPESDRNWSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccc(F)cc2)cc1Br ZINC000408941303 1066724248 /nfs/dbraw/zinc/72/42/48/1066724248.db2.gz CTSKMHJZOKLPNL-JQHASYOZSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccc(F)cc2)cc1Br ZINC000408941305 1066280247 /nfs/dbraw/zinc/28/02/47/1066280247.db2.gz CTSKMHJZOKLPNL-WQFMICPTSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccc(F)cc2)cc1Br ZINC000408941307 1066724233 /nfs/dbraw/zinc/72/42/33/1066724233.db2.gz CTSKMHJZOKLPNL-ZZPIOTAZSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408941453 1066724293 /nfs/dbraw/zinc/72/42/93/1066724293.db2.gz CXJPXUULQXUTIX-CFXZTRMJSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408941457 1066724188 /nfs/dbraw/zinc/72/41/88/1066724188.db2.gz CXJPXUULQXUTIX-JEUQEEEISA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408941461 1066724314 /nfs/dbraw/zinc/72/43/14/1066724314.db2.gz CXJPXUULQXUTIX-KKVRIENKSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408941463 1066724323 /nfs/dbraw/zinc/72/43/23/1066724323.db2.gz CXJPXUULQXUTIX-RMTYXQARSA-N 0 0 671.520 4.688 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408941708 1066280309 /nfs/dbraw/zinc/28/03/09/1066280309.db2.gz KCOGMTIAVISIKM-HFMVAQMMSA-N 0 0 643.556 4.542 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408941711 1066723741 /nfs/dbraw/zinc/72/37/41/1066723741.db2.gz KCOGMTIAVISIKM-OMXAIKKXSA-N 0 0 643.556 4.542 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408941772 1066282651 /nfs/dbraw/zinc/28/26/51/1066282651.db2.gz CZLXVTLAUFASEB-IGVOJETISA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408941777 1066282622 /nfs/dbraw/zinc/28/26/22/1066282622.db2.gz CZLXVTLAUFASEB-OALKCWSRSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408941779 1066282509 /nfs/dbraw/zinc/28/25/09/1066282509.db2.gz CZLXVTLAUFASEB-QGQAUETRSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408941783 1066723873 /nfs/dbraw/zinc/72/38/73/1066723873.db2.gz CZLXVTLAUFASEB-ZMINGMPZSA-N 0 0 603.459 4.774 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408941920 1066723906 /nfs/dbraw/zinc/72/39/06/1066723906.db2.gz QXACSBXVEGNVML-ABBNRAPFSA-N 0 0 639.568 4.759 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408941923 1066723840 /nfs/dbraw/zinc/72/38/40/1066723840.db2.gz QXACSBXVEGNVML-CSJROMOCSA-N 0 0 639.568 4.759 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408942002 1066723314 /nfs/dbraw/zinc/72/33/14/1066723314.db2.gz DFSFUAFEKJKGKG-IUXVCIAQSA-N 0 0 742.580 4.856 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408942006 1066723295 /nfs/dbraw/zinc/72/32/95/1066723295.db2.gz DFSFUAFEKJKGKG-JOTBEHJOSA-N 0 0 742.580 4.856 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408942010 1066723231 /nfs/dbraw/zinc/72/32/31/1066723231.db2.gz DFSFUAFEKJKGKG-KOMPRGEESA-N 0 0 742.580 4.856 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408942015 1066723288 /nfs/dbraw/zinc/72/32/88/1066723288.db2.gz DFSFUAFEKJKGKG-MCZUBNKPSA-N 0 0 742.580 4.856 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OCc1ccccc1F ZINC000408942052 1066723219 /nfs/dbraw/zinc/72/32/19/1066723219.db2.gz DJEHSRSLQMVDNW-CFXZTRMJSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OCc1ccccc1F ZINC000408942053 1066723328 /nfs/dbraw/zinc/72/33/28/1066723328.db2.gz DJEHSRSLQMVDNW-JEUQEEEISA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OCc1ccccc1F ZINC000408942055 1066723225 /nfs/dbraw/zinc/72/32/25/1066723225.db2.gz DJEHSRSLQMVDNW-KKVRIENKSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OCc1ccccc1F ZINC000408942057 1066723268 /nfs/dbraw/zinc/72/32/68/1066723268.db2.gz DJEHSRSLQMVDNW-RMTYXQARSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Cl)cc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408942498 1066722814 /nfs/dbraw/zinc/72/28/14/1066722814.db2.gz DSUKEMOAYRZUOB-CERVVBPASA-N 0 0 711.168 4.625 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Cl)cc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408942502 1066282678 /nfs/dbraw/zinc/28/26/78/1066282678.db2.gz DSUKEMOAYRZUOB-KCIOEORNSA-N 0 0 711.168 4.625 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Cl)cc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408942504 1066722994 /nfs/dbraw/zinc/72/29/94/1066722994.db2.gz DSUKEMOAYRZUOB-PVEPWZHISA-N 0 0 711.168 4.625 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Cl)cc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408942507 1066722937 /nfs/dbraw/zinc/72/29/37/1066722937.db2.gz DSUKEMOAYRZUOB-RHJSPPDHSA-N 0 0 711.168 4.625 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2)c(OCC)c1 ZINC000408942591 1066717706 /nfs/dbraw/zinc/71/77/06/1066717706.db2.gz DVBRVGWXJDRWPP-CHEGZEOASA-N 0 0 744.583 4.789 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2)c(OCC)c1 ZINC000408942592 1066717638 /nfs/dbraw/zinc/71/76/38/1066717638.db2.gz DVBRVGWXJDRWPP-KWUVGIHMSA-N 0 0 744.583 4.789 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2)c(OCC)c1 ZINC000408942594 1066717516 /nfs/dbraw/zinc/71/75/16/1066717516.db2.gz DVBRVGWXJDRWPP-LKSGBPKWSA-N 0 0 744.583 4.789 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2)c(OCC)c1 ZINC000408942596 1066717718 /nfs/dbraw/zinc/71/77/18/1066717718.db2.gz DVBRVGWXJDRWPP-OZMYSUSDSA-N 0 0 744.583 4.789 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(C)cc2)c(Br)c1 ZINC000408942606 1066282760 /nfs/dbraw/zinc/28/27/60/1066282760.db2.gz DVSAASQBYFFRKC-CBXWFWILSA-N 0 0 667.557 4.857 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(C)cc2)c(Br)c1 ZINC000408942609 1066717529 /nfs/dbraw/zinc/71/75/29/1066717529.db2.gz DVSAASQBYFFRKC-MCOUPYJHSA-N 0 0 667.557 4.857 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(C)cc2)c(Br)c1 ZINC000408942610 1066717565 /nfs/dbraw/zinc/71/75/65/1066717565.db2.gz DVSAASQBYFFRKC-UVTRAYBSSA-N 0 0 667.557 4.857 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(C)cc2)c(Br)c1 ZINC000408942612 1066717693 /nfs/dbraw/zinc/71/76/93/1066717693.db2.gz DVSAASQBYFFRKC-VLHNTZRTSA-N 0 0 667.557 4.857 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408942678 1066717649 /nfs/dbraw/zinc/71/76/49/1066717649.db2.gz KXQYYVVNCWSFFH-DQARITGZSA-N 0 0 586.069 4.521 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408942682 1066717619 /nfs/dbraw/zinc/71/76/19/1066717619.db2.gz KXQYYVVNCWSFFH-YRSDHNRQSA-N 0 0 586.069 4.521 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)ccc4OCc4ccccc4C#N)c(=O)n32)cc1OCC ZINC000408942780 1066722975 /nfs/dbraw/zinc/72/29/75/1066722975.db2.gz LGANSADMFDDDJH-BCQKFBGJSA-N 0 0 630.122 4.920 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)ccc4OCc4ccccc4C#N)c(=O)n32)cc1OCC ZINC000408942781 1066722873 /nfs/dbraw/zinc/72/28/73/1066722873.db2.gz LGANSADMFDDDJH-MSXCPPJZSA-N 0 0 630.122 4.920 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCC#N)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408942918 1066722913 /nfs/dbraw/zinc/72/29/13/1066722913.db2.gz RZRVFQXFQCXOEI-MFUBYVTQSA-N 0 0 630.948 4.904 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408942922 1066722851 /nfs/dbraw/zinc/72/28/51/1066722851.db2.gz RZRVFQXFQCXOEI-RWTNITNYSA-N 0 0 630.948 4.904 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1F ZINC000408943009 1066722202 /nfs/dbraw/zinc/72/22/02/1066722202.db2.gz DZPQYAZFXCTIHE-ABNPQKIUSA-N 0 0 632.689 4.654 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1F ZINC000408943016 1066722364 /nfs/dbraw/zinc/72/23/64/1066722364.db2.gz DZPQYAZFXCTIHE-JQDBLDEISA-N 0 0 632.689 4.654 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1F ZINC000408943019 1066722250 /nfs/dbraw/zinc/72/22/50/1066722250.db2.gz DZPQYAZFXCTIHE-PAFRJTPQSA-N 0 0 632.689 4.654 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1F ZINC000408943023 1066282474 /nfs/dbraw/zinc/28/24/74/1066282474.db2.gz DZPQYAZFXCTIHE-WASRFYDNSA-N 0 0 632.689 4.654 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408943040 1066722320 /nfs/dbraw/zinc/72/23/20/1066722320.db2.gz FBJHKBIQQUXQLX-IUXVCIAQSA-N 0 0 744.583 4.708 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408943044 1066282579 /nfs/dbraw/zinc/28/25/79/1066282579.db2.gz FBJHKBIQQUXQLX-JOTBEHJOSA-N 0 0 744.583 4.708 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408943048 1066722298 /nfs/dbraw/zinc/72/22/98/1066722298.db2.gz FBJHKBIQQUXQLX-KOMPRGEESA-N 0 0 744.583 4.708 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408943053 1066283157 /nfs/dbraw/zinc/28/31/57/1066283157.db2.gz FBJHKBIQQUXQLX-MCZUBNKPSA-N 0 0 744.583 4.708 40 30 KJEBRN C#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc1I ZINC000408943212 1066283149 /nfs/dbraw/zinc/28/31/49/1066283149.db2.gz YMNWQLQTPRZOIO-MXHYXOMCSA-N 0 0 532.403 4.944 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1 ZINC000408943400 1066283174 /nfs/dbraw/zinc/28/31/74/1066283174.db2.gz FQCRFHFKHSSKHD-APLDASDESA-N 0 0 614.699 4.515 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1 ZINC000408943404 1066722374 /nfs/dbraw/zinc/72/23/74/1066722374.db2.gz FQCRFHFKHSSKHD-DZGMDEQZSA-N 0 0 614.699 4.515 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1 ZINC000408943407 1066722306 /nfs/dbraw/zinc/72/23/06/1066722306.db2.gz FQCRFHFKHSSKHD-RROMOJCZSA-N 0 0 614.699 4.515 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1 ZINC000408943410 1066722430 /nfs/dbraw/zinc/72/24/30/1066722430.db2.gz FQCRFHFKHSSKHD-SDBQSRRMSA-N 0 0 614.699 4.515 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408943607 1066722439 /nfs/dbraw/zinc/72/24/39/1066722439.db2.gz LRAJMBWTMNWTRB-DQARITGZSA-N 0 0 586.069 4.521 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408943612 1066722283 /nfs/dbraw/zinc/72/22/83/1066722283.db2.gz LRAJMBWTMNWTRB-YRSDHNRQSA-N 0 0 586.069 4.521 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000408944038 1066721921 /nfs/dbraw/zinc/72/19/21/1066721921.db2.gz GDILYQDFQGPUFB-FXYKXUDXSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000408944039 1066280853 /nfs/dbraw/zinc/28/08/53/1066280853.db2.gz GDILYQDFQGPUFB-LHOCNBBZSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000408944040 1066721749 /nfs/dbraw/zinc/72/17/49/1066721749.db2.gz GDILYQDFQGPUFB-UDRZSBGGSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000408944041 1066721832 /nfs/dbraw/zinc/72/18/32/1066721832.db2.gz GDILYQDFQGPUFB-WXNJTCDMSA-N 0 0 624.694 4.939 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(F)cc1 ZINC000408944062 1066721804 /nfs/dbraw/zinc/72/18/04/1066721804.db2.gz GFKCHTFAMCJVOG-ABNPQKIUSA-N 0 0 632.689 4.654 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(F)cc1 ZINC000408944063 1066721894 /nfs/dbraw/zinc/72/18/94/1066721894.db2.gz GFKCHTFAMCJVOG-JQDBLDEISA-N 0 0 632.689 4.654 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(F)cc1 ZINC000408944064 1066280769 /nfs/dbraw/zinc/28/07/69/1066280769.db2.gz GFKCHTFAMCJVOG-PAFRJTPQSA-N 0 0 632.689 4.654 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(F)cc1 ZINC000408944065 1066721786 /nfs/dbraw/zinc/72/17/86/1066721786.db2.gz GFKCHTFAMCJVOG-WASRFYDNSA-N 0 0 632.689 4.654 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2cccc(F)c2)cc1Br ZINC000408944121 1066280714 /nfs/dbraw/zinc/28/07/14/1066280714.db2.gz GKFYLTOYCZROOS-HPESDRNWSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2cccc(F)c2)cc1Br ZINC000408944122 1066721841 /nfs/dbraw/zinc/72/18/41/1066721841.db2.gz GKFYLTOYCZROOS-JQHASYOZSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2cccc(F)c2)cc1Br ZINC000408944124 1066721726 /nfs/dbraw/zinc/72/17/26/1066721726.db2.gz GKFYLTOYCZROOS-WQFMICPTSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2cccc(F)c2)cc1Br ZINC000408944126 1066721902 /nfs/dbraw/zinc/72/19/02/1066721902.db2.gz GKFYLTOYCZROOS-ZZPIOTAZSA-N 0 0 701.546 4.696 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408944203 1066721440 /nfs/dbraw/zinc/72/14/40/1066721440.db2.gz UMRDFTQFELQYHH-ABBNRAPFSA-N 0 0 686.568 4.601 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408944206 1066721387 /nfs/dbraw/zinc/72/13/87/1066721387.db2.gz UMRDFTQFELQYHH-CSJROMOCSA-N 0 0 686.568 4.601 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408944279 1066721910 /nfs/dbraw/zinc/72/19/10/1066721910.db2.gz USSYVXDKZPRIKG-GJFKPFFXSA-N 0 0 642.528 4.821 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408944281 1066721741 /nfs/dbraw/zinc/72/17/41/1066721741.db2.gz USSYVXDKZPRIKG-LWUPDDLQSA-N 0 0 642.528 4.821 40 30 KJEBRN C#CCOc1c(Cl)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408944385 1066721247 /nfs/dbraw/zinc/72/12/47/1066721247.db2.gz VIYJMZUXWUWGRK-CBYYHRJHSA-N 0 0 585.509 4.904 40 30 KJEBRN C#CCOc1c(Cl)cc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408944387 1066281252 /nfs/dbraw/zinc/28/12/52/1066281252.db2.gz VIYJMZUXWUWGRK-PNZYDNNZSA-N 0 0 585.509 4.904 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408944426 1066721335 /nfs/dbraw/zinc/72/13/35/1066721335.db2.gz GMLTZCGOXYYOSV-CYWQULDYSA-N 0 0 823.435 4.882 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408944427 1066721446 /nfs/dbraw/zinc/72/14/46/1066721446.db2.gz GMLTZCGOXYYOSV-HQXKZIQUSA-N 0 0 823.435 4.882 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408944429 1066721420 /nfs/dbraw/zinc/72/14/20/1066721420.db2.gz GMLTZCGOXYYOSV-LEVKBLFJSA-N 0 0 823.435 4.882 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408944431 1066721267 /nfs/dbraw/zinc/72/12/67/1066721267.db2.gz GMLTZCGOXYYOSV-LFYAHHGPSA-N 0 0 823.435 4.882 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408944520 1066717170 /nfs/dbraw/zinc/71/71/70/1066717170.db2.gz MSVLLGNWURMMIF-CBYYHRJHSA-N 0 0 583.504 4.523 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408944522 1066281550 /nfs/dbraw/zinc/28/15/50/1066281550.db2.gz MSVLLGNWURMMIF-PNZYDNNZSA-N 0 0 583.504 4.523 40 30 KJEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408944579 1066281479 /nfs/dbraw/zinc/28/14/79/1066281479.db2.gz MWUILAGGTFYGCS-JDQXFBDKSA-N 0 0 589.497 4.687 40 30 KJEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408944583 1066720795 /nfs/dbraw/zinc/72/07/95/1066720795.db2.gz MWUILAGGTFYGCS-NXAROGRYSA-N 0 0 589.497 4.687 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc(I)cc2OC)cc1 ZINC000408944625 1066720752 /nfs/dbraw/zinc/72/07/52/1066720752.db2.gz GWJJFUDRDNBSJB-CERVVBPASA-N 0 0 802.619 4.576 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc(I)cc2OC)cc1 ZINC000408944628 1066721328 /nfs/dbraw/zinc/72/13/28/1066721328.db2.gz GWJJFUDRDNBSJB-KCIOEORNSA-N 0 0 802.619 4.576 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc(I)cc2OC)cc1 ZINC000408944631 1066721305 /nfs/dbraw/zinc/72/13/05/1066721305.db2.gz GWJJFUDRDNBSJB-PVEPWZHISA-N 0 0 802.619 4.576 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc(I)cc2OC)cc1 ZINC000408944635 1066281496 /nfs/dbraw/zinc/28/14/96/1066281496.db2.gz GWJJFUDRDNBSJB-RHJSPPDHSA-N 0 0 802.619 4.576 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408944638 1066721227 /nfs/dbraw/zinc/72/12/27/1066721227.db2.gz GWKPQZGAHBTDNH-DEESYGRUSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408944641 1066721380 /nfs/dbraw/zinc/72/13/80/1066721380.db2.gz GWKPQZGAHBTDNH-MZMJXSTFSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408944643 1066721402 /nfs/dbraw/zinc/72/14/02/1066721402.db2.gz GWKPQZGAHBTDNH-PZTKYJRTSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408944646 1066721317 /nfs/dbraw/zinc/72/13/17/1066721317.db2.gz GWKPQZGAHBTDNH-STZNVWQGSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408944819 1066281274 /nfs/dbraw/zinc/28/12/74/1066281274.db2.gz VQTRNWWWBHNGFB-MKWGYRPRSA-N 0 0 640.556 4.649 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408944820 1066720728 /nfs/dbraw/zinc/72/07/28/1066720728.db2.gz VQTRNWWWBHNGFB-OCEWKHMESA-N 0 0 640.556 4.649 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408944840 1066720825 /nfs/dbraw/zinc/72/08/25/1066720825.db2.gz GXTQIZONNUNKRK-FBRSZMRESA-N 0 0 673.601 4.926 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408944841 1066720900 /nfs/dbraw/zinc/72/09/00/1066720900.db2.gz GXTQIZONNUNKRK-FRJQUNLTSA-N 0 0 673.601 4.926 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408944843 1066281407 /nfs/dbraw/zinc/28/14/07/1066281407.db2.gz GXTQIZONNUNKRK-UKYAEMGTSA-N 0 0 673.601 4.926 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408944845 1066720859 /nfs/dbraw/zinc/72/08/59/1066720859.db2.gz GXTQIZONNUNKRK-XDPKUQOUSA-N 0 0 673.601 4.926 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccccc1F ZINC000408944889 1066720349 /nfs/dbraw/zinc/72/03/49/1066720349.db2.gz GZICQUGBWSQLAQ-AZZTWFMMSA-N 0 0 662.715 4.662 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccccc1F ZINC000408944892 1066720745 /nfs/dbraw/zinc/72/07/45/1066720745.db2.gz GZICQUGBWSQLAQ-LTWPRMGGSA-N 0 0 662.715 4.662 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccccc1F ZINC000408944896 1066720818 /nfs/dbraw/zinc/72/08/18/1066720818.db2.gz GZICQUGBWSQLAQ-SCYVRRQNSA-N 0 0 662.715 4.662 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccccc1F ZINC000408944899 1066720867 /nfs/dbraw/zinc/72/08/67/1066720867.db2.gz GZICQUGBWSQLAQ-XPLBROKISA-N 0 0 662.715 4.662 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1cccc2ccccc21 ZINC000408945060 1066281283 /nfs/dbraw/zinc/28/12/83/1066281283.db2.gz HFAKZFCOQCJBSO-BYVFGRFUSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1cccc2ccccc21 ZINC000408945064 1066281379 /nfs/dbraw/zinc/28/13/79/1066281379.db2.gz HFAKZFCOQCJBSO-DWVWSVQKSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1cccc2ccccc21 ZINC000408945069 1066720339 /nfs/dbraw/zinc/72/03/39/1066720339.db2.gz HFAKZFCOQCJBSO-WSBHJNERSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1cccc2ccccc21 ZINC000408945074 1066720251 /nfs/dbraw/zinc/72/02/51/1066720251.db2.gz HFAKZFCOQCJBSO-ZAUYFLTESA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408945110 1066720268 /nfs/dbraw/zinc/72/02/68/1066720268.db2.gz HGCOTRSAUUSPEK-CFXZTRMJSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408945114 1066281370 /nfs/dbraw/zinc/28/13/70/1066281370.db2.gz HGCOTRSAUUSPEK-JEUQEEEISA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408945117 1066281297 /nfs/dbraw/zinc/28/12/97/1066281297.db2.gz HGCOTRSAUUSPEK-KKVRIENKSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408945121 1066720355 /nfs/dbraw/zinc/72/03/55/1066720355.db2.gz HGCOTRSAUUSPEK-RMTYXQARSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000408945310 1066720325 /nfs/dbraw/zinc/72/03/25/1066720325.db2.gz NZLWHHFPKZSWSZ-BXMULHQWSA-N 0 0 630.122 4.920 40 30 KJEBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000408945311 1066720402 /nfs/dbraw/zinc/72/04/02/1066720402.db2.gz NZLWHHFPKZSWSZ-FZEVDNDPSA-N 0 0 630.122 4.920 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1 ZINC000408945326 1066719832 /nfs/dbraw/zinc/71/98/32/1066719832.db2.gz HKBKKSRPPOWZDJ-BSIOPWIUSA-N 0 0 773.550 4.977 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1 ZINC000408945329 1066719901 /nfs/dbraw/zinc/71/99/01/1066719901.db2.gz HKBKKSRPPOWZDJ-JRBXKIDESA-N 0 0 773.550 4.977 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1 ZINC000408945330 1066719887 /nfs/dbraw/zinc/71/98/87/1066719887.db2.gz HKBKKSRPPOWZDJ-QBJCGTOJSA-N 0 0 773.550 4.977 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1 ZINC000408945332 1066281871 /nfs/dbraw/zinc/28/18/71/1066281871.db2.gz HKBKKSRPPOWZDJ-YRMQJCIVSA-N 0 0 773.550 4.977 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000408945376 1066719941 /nfs/dbraw/zinc/71/99/41/1066719941.db2.gz HLVKZSTXIHOJPQ-DNNPFGRSSA-N 0 0 611.699 4.519 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000408945379 1066719776 /nfs/dbraw/zinc/71/97/76/1066719776.db2.gz HLVKZSTXIHOJPQ-HDTUSVHTSA-N 0 0 611.699 4.519 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000408945382 1066719923 /nfs/dbraw/zinc/71/99/23/1066719923.db2.gz HLVKZSTXIHOJPQ-NGLSDAINSA-N 0 0 611.699 4.519 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000408945385 1066719846 /nfs/dbraw/zinc/71/98/46/1066719846.db2.gz HLVKZSTXIHOJPQ-ZIAISLOISA-N 0 0 611.699 4.519 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(Br)c4)c(=O)n32)cc1 ZINC000408945400 1066719933 /nfs/dbraw/zinc/71/99/33/1066719933.db2.gz KPJIVQFECMQLEY-FHMSYZJOSA-N 0 0 629.536 4.937 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(Br)c4)c(=O)n32)cc1 ZINC000408945404 1066719866 /nfs/dbraw/zinc/71/98/66/1066719866.db2.gz KPJIVQFECMQLEY-OXWVMCNISA-N 0 0 629.536 4.937 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OCc1ccccc1F ZINC000408945421 1066282053 /nfs/dbraw/zinc/28/20/53/1066282053.db2.gz HMXOBFRALLDGJZ-KAXZEMDMSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OCc1ccccc1F ZINC000408945424 1066720331 /nfs/dbraw/zinc/72/03/31/1066720331.db2.gz HMXOBFRALLDGJZ-MLRYTHHKSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OCc1ccccc1F ZINC000408945427 1066281899 /nfs/dbraw/zinc/28/18/99/1066281899.db2.gz HMXOBFRALLDGJZ-PIWJFTSUSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OCc1ccccc1F ZINC000408945430 1066720295 /nfs/dbraw/zinc/72/02/95/1066720295.db2.gz HMXOBFRALLDGJZ-XOBQIWCOSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1 ZINC000408945517 1066719913 /nfs/dbraw/zinc/71/99/13/1066719913.db2.gz HROJZEDWCMKHIC-DHLXDNGTSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1 ZINC000408945520 1066719812 /nfs/dbraw/zinc/71/98/12/1066719812.db2.gz HROJZEDWCMKHIC-IVHJRGKWSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1 ZINC000408945524 1066719745 /nfs/dbraw/zinc/71/97/45/1066719745.db2.gz HROJZEDWCMKHIC-PBBAZZSJSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1 ZINC000408945527 1066719787 /nfs/dbraw/zinc/71/97/87/1066719787.db2.gz HROJZEDWCMKHIC-XUCRKACVSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCC#N)c(OC)c4)c(=O)n32)cc1 ZINC000408945726 1066719855 /nfs/dbraw/zinc/71/98/55/1066719855.db2.gz LGTYCSCISOVDCP-FHMSYZJOSA-N 0 0 706.562 4.788 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCC#N)c(OC)c4)c(=O)n32)cc1 ZINC000408945728 1066719954 /nfs/dbraw/zinc/71/99/54/1066719954.db2.gz LGTYCSCISOVDCP-OXWVMCNISA-N 0 0 706.562 4.788 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000408945823 1066719138 /nfs/dbraw/zinc/71/91/38/1066719138.db2.gz HUKYWFNKLZMTOV-IHCYBTJTSA-N 0 0 759.523 4.587 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000408945827 1066719241 /nfs/dbraw/zinc/71/92/41/1066719241.db2.gz HUKYWFNKLZMTOV-MCPZHHRQSA-N 0 0 759.523 4.587 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000408945831 1066719275 /nfs/dbraw/zinc/71/92/75/1066719275.db2.gz HUKYWFNKLZMTOV-MVDAXXFPSA-N 0 0 759.523 4.587 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000408945835 1066281861 /nfs/dbraw/zinc/28/18/61/1066281861.db2.gz HUKYWFNKLZMTOV-WJFBHGNMSA-N 0 0 759.523 4.587 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(OC)c4OCc4ccc(C#N)cc4)c(=O)n32)cc1OCC ZINC000408945842 1066719367 /nfs/dbraw/zinc/71/93/67/1066719367.db2.gz ODXLRJKXQCDHTC-MSXMGWOJSA-N 0 0 751.599 4.879 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(OC)c4OCc4ccc(C#N)cc4)c(=O)n32)cc1OCC ZINC000408945845 1066719379 /nfs/dbraw/zinc/71/93/79/1066719379.db2.gz ODXLRJKXQCDHTC-VMRSUCRISA-N 0 0 751.599 4.879 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000408946028 1066719393 /nfs/dbraw/zinc/71/93/93/1066719393.db2.gz HZWTWOZVJLAFMN-CFXZTRMJSA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000408946031 1066281909 /nfs/dbraw/zinc/28/19/09/1066281909.db2.gz HZWTWOZVJLAFMN-JEUQEEEISA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000408946033 1066201485 /nfs/dbraw/zinc/20/14/85/1066201485.db2.gz HZWTWOZVJLAFMN-KKVRIENKSA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000408946035 1066719261 /nfs/dbraw/zinc/71/92/61/1066719261.db2.gz HZWTWOZVJLAFMN-RMTYXQARSA-N 0 0 718.520 4.530 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc(Br)cc2OC)cc1 ZINC000408946038 1066719281 /nfs/dbraw/zinc/71/92/81/1066719281.db2.gz HZXQPRSOVLYOKK-CERVVBPASA-N 0 0 755.619 4.734 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc(Br)cc2OC)cc1 ZINC000408946041 1066719330 /nfs/dbraw/zinc/71/93/30/1066719330.db2.gz HZXQPRSOVLYOKK-KCIOEORNSA-N 0 0 755.619 4.734 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc(Br)cc2OC)cc1 ZINC000408946044 1066718872 /nfs/dbraw/zinc/71/88/72/1066718872.db2.gz HZXQPRSOVLYOKK-PVEPWZHISA-N 0 0 755.619 4.734 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc(Br)cc2OC)cc1 ZINC000408946047 1066718845 /nfs/dbraw/zinc/71/88/45/1066718845.db2.gz HZXQPRSOVLYOKK-RHJSPPDHSA-N 0 0 755.619 4.734 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(Cc5ccc(C#N)cc5)c5ccccc45)c(=O)n32)cc1OCC ZINC000408946051 1066718778 /nfs/dbraw/zinc/71/87/78/1066718778.db2.gz ORXSWSZRKGPZTO-CSJGQJTISA-N 0 0 618.715 4.690 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(Cc5ccc(C#N)cc5)c5ccccc45)c(=O)n32)cc1OCC ZINC000408946053 1066718811 /nfs/dbraw/zinc/71/88/11/1066718811.db2.gz ORXSWSZRKGPZTO-YXHKLRKPSA-N 0 0 618.715 4.690 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408946060 1066718745 /nfs/dbraw/zinc/71/87/45/1066718745.db2.gz OTPAPTPOURRQSX-JDQXFBDKSA-N 0 0 725.399 4.747 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408946063 1066718789 /nfs/dbraw/zinc/71/87/89/1066718789.db2.gz OTPAPTPOURRQSX-NXAROGRYSA-N 0 0 725.399 4.747 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Br)cc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408946208 1066718865 /nfs/dbraw/zinc/71/88/65/1066718865.db2.gz IGGUMYHGXAKCHW-CERVVBPASA-N 0 0 755.619 4.734 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Br)cc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408946210 1066718800 /nfs/dbraw/zinc/71/88/00/1066718800.db2.gz IGGUMYHGXAKCHW-KCIOEORNSA-N 0 0 755.619 4.734 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Br)cc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408946213 1066718737 /nfs/dbraw/zinc/71/87/37/1066718737.db2.gz IGGUMYHGXAKCHW-PVEPWZHISA-N 0 0 755.619 4.734 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Br)cc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408946215 1066718850 /nfs/dbraw/zinc/71/88/50/1066718850.db2.gz IGGUMYHGXAKCHW-RHJSPPDHSA-N 0 0 755.619 4.734 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408946233 1066283561 /nfs/dbraw/zinc/28/35/61/1066283561.db2.gz IGXIYEFJUWOFFF-KKAIHFHCSA-N 0 0 788.592 4.518 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408946235 1066718716 /nfs/dbraw/zinc/71/87/16/1066718716.db2.gz IGXIYEFJUWOFFF-KOPRMHSSSA-N 0 0 788.592 4.518 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408946237 1066718870 /nfs/dbraw/zinc/71/88/70/1066718870.db2.gz IGXIYEFJUWOFFF-LQFPVQSQSA-N 0 0 788.592 4.518 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408946239 1066718819 /nfs/dbraw/zinc/71/88/19/1066718819.db2.gz IGXIYEFJUWOFFF-QNIXPLDZSA-N 0 0 788.592 4.518 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(Br)cc1 ZINC000408946276 1066718827 /nfs/dbraw/zinc/71/88/27/1066718827.db2.gz IMEZCQKAUYOGQX-PJEGCRLUSA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(Br)cc1 ZINC000408946278 1066284445 /nfs/dbraw/zinc/28/44/45/1066284445.db2.gz IMEZCQKAUYOGQX-POTNBDKBSA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(Br)cc1 ZINC000408946280 1066718729 /nfs/dbraw/zinc/71/87/29/1066718729.db2.gz IMEZCQKAUYOGQX-RSKXLVJXSA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(Br)cc1 ZINC000408946282 1066718854 /nfs/dbraw/zinc/71/88/54/1066718854.db2.gz IMEZCQKAUYOGQX-XQFWEPFESA-N 0 0 697.583 4.947 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cccc1OC ZINC000408946408 1066718349 /nfs/dbraw/zinc/71/83/49/1066718349.db2.gz MVRJCTIUQKHKHP-CZLAYTOTSA-N 0 0 581.694 4.846 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cccc1OC ZINC000408946409 1066284428 /nfs/dbraw/zinc/28/44/28/1066284428.db2.gz MVRJCTIUQKHKHP-PCJRJIAFSA-N 0 0 581.694 4.846 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408946428 1066283166 /nfs/dbraw/zinc/28/31/66/1066283166.db2.gz YGTGNEJCZBRAKV-MKWGYRPRSA-N 0 0 596.105 4.540 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408946430 1066718312 /nfs/dbraw/zinc/71/83/12/1066718312.db2.gz YGTGNEJCZBRAKV-OCEWKHMESA-N 0 0 596.105 4.540 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408946612 1066284232 /nfs/dbraw/zinc/28/42/32/1066284232.db2.gz PENQFDWQQRXFLJ-JDQXFBDKSA-N 0 0 772.399 4.590 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408946617 1066284329 /nfs/dbraw/zinc/28/43/29/1066284329.db2.gz PENQFDWQQRXFLJ-NXAROGRYSA-N 0 0 772.399 4.590 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCC#N)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408946661 1066718232 /nfs/dbraw/zinc/71/82/32/1066718232.db2.gz ZHYAENJLRBUJIA-MFUBYVTQSA-N 0 0 677.948 4.746 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408946669 1066718165 /nfs/dbraw/zinc/71/81/65/1066718165.db2.gz ZHYAENJLRBUJIA-RWTNITNYSA-N 0 0 677.948 4.746 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(OC)c4OCc4ccccc4C#N)c(=O)n32)cc1OCC ZINC000408946711 1066718245 /nfs/dbraw/zinc/71/82/45/1066718245.db2.gz PMSHXDAAFMRXIQ-MSXMGWOJSA-N 0 0 751.599 4.879 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(OC)c4OCc4ccccc4C#N)c(=O)n32)cc1OCC ZINC000408946715 1066201244 /nfs/dbraw/zinc/20/12/44/1066201244.db2.gz PMSHXDAAFMRXIQ-VMRSUCRISA-N 0 0 751.599 4.879 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCC#N)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408946716 1066718186 /nfs/dbraw/zinc/71/81/86/1066718186.db2.gz ZNDPRGMPDJMIKH-MFUBYVTQSA-N 0 0 586.497 4.795 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408946718 1066284302 /nfs/dbraw/zinc/28/43/02/1066284302.db2.gz ZNDPRGMPDJMIKH-RWTNITNYSA-N 0 0 586.497 4.795 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Br)cc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2[N+](=O)[O-])cc1 ZINC000408946819 1066717736 /nfs/dbraw/zinc/71/77/36/1066717736.db2.gz IQGQJFKDHPEOJW-COVLJQAWSA-N 0 0 770.590 4.634 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Br)cc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2[N+](=O)[O-])cc1 ZINC000408946821 1066717746 /nfs/dbraw/zinc/71/77/46/1066717746.db2.gz IQGQJFKDHPEOJW-KZNUISKVSA-N 0 0 770.590 4.634 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Br)cc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2[N+](=O)[O-])cc1 ZINC000408946823 1066201444 /nfs/dbraw/zinc/20/14/44/1066201444.db2.gz IQGQJFKDHPEOJW-RIIXYJQGSA-N 0 0 770.590 4.634 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(Br)cc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2[N+](=O)[O-])cc1 ZINC000408946824 1066717525 /nfs/dbraw/zinc/71/75/25/1066717525.db2.gz IQGQJFKDHPEOJW-YMONGCMRSA-N 0 0 770.590 4.634 40 30 KJEBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c1C)CCCC2 ZINC000408946834 1066284346 /nfs/dbraw/zinc/28/43/46/1066284346.db2.gz IRJUSDWBVJBGOS-HILBAQQDSA-N 0 0 693.823 4.732 40 30 KJEBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c1C)CCCC2 ZINC000408946835 1066717680 /nfs/dbraw/zinc/71/76/80/1066717680.db2.gz IRJUSDWBVJBGOS-HXKWRVRTSA-N 0 0 693.823 4.732 40 30 KJEBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c1C)CCCC2 ZINC000408946836 1066717603 /nfs/dbraw/zinc/71/76/03/1066717603.db2.gz IRJUSDWBVJBGOS-LLTAAWGRSA-N 0 0 693.823 4.732 40 30 KJEBRN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c1C)CCCC2 ZINC000408946837 1066717536 /nfs/dbraw/zinc/71/75/36/1066717536.db2.gz IRJUSDWBVJBGOS-MYZSTNFWSA-N 0 0 693.823 4.732 40 30 KJEBRN C=CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408946997 1066284194 /nfs/dbraw/zinc/28/41/94/1066284194.db2.gz ZZRVBMAQDSNSEO-GTWFGUSFSA-N 0 0 553.080 4.804 40 30 KJEBRN C=CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OC(C)C)C(C(=O)OCC)=C(C)N=2 ZINC000408946999 1066284180 /nfs/dbraw/zinc/28/41/80/1066284180.db2.gz ZZRVBMAQDSNSEO-SJJVXOANSA-N 0 0 553.080 4.804 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2Br)cc1 ZINC000408947296 1066284409 /nfs/dbraw/zinc/28/44/09/1066284409.db2.gz IYPPQOVFJHHUAI-FWBLWSFOSA-N 0 0 725.593 4.725 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2Br)cc1 ZINC000408947298 1066733829 /nfs/dbraw/zinc/73/38/29/1066733829.db2.gz IYPPQOVFJHHUAI-GBGCSXOCSA-N 0 0 725.593 4.725 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2Br)cc1 ZINC000408947300 1066733748 /nfs/dbraw/zinc/73/37/48/1066733748.db2.gz IYPPQOVFJHHUAI-UQEURQQOSA-N 0 0 725.593 4.725 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2Br)cc1 ZINC000408947302 1066733820 /nfs/dbraw/zinc/73/38/20/1066733820.db2.gz IYPPQOVFJHHUAI-WWZSTUTESA-N 0 0 725.593 4.725 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000408947311 1066285057 /nfs/dbraw/zinc/28/50/57/1066285057.db2.gz IZUSLFOSYNBCDZ-MFCBUNOESA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000408947313 1066733753 /nfs/dbraw/zinc/73/37/53/1066733753.db2.gz IZUSLFOSYNBCDZ-SUAMDDGLSA-N 0 0 627.557 4.921 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(I)cc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OCC)cc1 ZINC000408947339 1066733856 /nfs/dbraw/zinc/73/38/56/1066733856.db2.gz JANKAWXVKULWQE-FRBRDSHESA-N 0 0 816.646 4.966 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(I)cc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OCC)cc1 ZINC000408947341 1066285184 /nfs/dbraw/zinc/28/51/84/1066285184.db2.gz JANKAWXVKULWQE-LZHKBPMOSA-N 0 0 816.646 4.966 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(I)cc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OCC)cc1 ZINC000408947343 1066734355 /nfs/dbraw/zinc/73/43/55/1066734355.db2.gz JANKAWXVKULWQE-NGYDEBRISA-N 0 0 816.646 4.966 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(I)cc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OCC)cc1 ZINC000408947345 1066734233 /nfs/dbraw/zinc/73/42/33/1066734233.db2.gz JANKAWXVKULWQE-ZTNJLKTOSA-N 0 0 816.646 4.966 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000408947382 1066733789 /nfs/dbraw/zinc/73/37/89/1066733789.db2.gz JCRXXAHMNFZKKO-BJKSROFISA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000408947384 1066733736 /nfs/dbraw/zinc/73/37/36/1066733736.db2.gz JCRXXAHMNFZKKO-GFIFTUCJSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000408947385 1066733768 /nfs/dbraw/zinc/73/37/68/1066733768.db2.gz JCRXXAHMNFZKKO-ICFTWWIISA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000408947386 1066284881 /nfs/dbraw/zinc/28/48/81/1066284881.db2.gz JCRXXAHMNFZKKO-SGLJYYTGSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(I)c(C)c2)c1C ZINC000408947419 1066284945 /nfs/dbraw/zinc/28/49/45/1066284945.db2.gz JFLIRFLMLLUMTJ-CWQXXQLSSA-N 0 0 701.562 4.528 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(I)c(C)c2)c1C ZINC000408947420 1066285100 /nfs/dbraw/zinc/28/51/00/1066285100.db2.gz JFLIRFLMLLUMTJ-IHSQPLDZSA-N 0 0 701.562 4.528 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(I)c(C)c2)c1C ZINC000408947421 1066284971 /nfs/dbraw/zinc/28/49/71/1066284971.db2.gz JFLIRFLMLLUMTJ-JJMTZABZSA-N 0 0 701.562 4.528 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(I)c(C)c2)c1C ZINC000408947422 1066733782 /nfs/dbraw/zinc/73/37/82/1066733782.db2.gz JFLIRFLMLLUMTJ-NJDCTWPSSA-N 0 0 701.562 4.528 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000408947441 1066285009 /nfs/dbraw/zinc/28/50/09/1066285009.db2.gz JISHBVUCGHLKMD-BVTFRONHSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000408947442 1066284911 /nfs/dbraw/zinc/28/49/11/1066284911.db2.gz JISHBVUCGHLKMD-KJKYMQMDSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000408947443 1066733762 /nfs/dbraw/zinc/73/37/62/1066733762.db2.gz JISHBVUCGHLKMD-OCXLSZSESA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000408947444 1066733751 /nfs/dbraw/zinc/73/37/51/1066733751.db2.gz JISHBVUCGHLKMD-QPFMNXPFSA-N 0 0 653.530 4.549 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408947490 1066733796 /nfs/dbraw/zinc/73/37/96/1066733796.db2.gz QFHYUQVJJXVGBR-IIMDPYCFSA-N 0 0 609.107 4.945 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408947491 1066733733 /nfs/dbraw/zinc/73/37/33/1066733733.db2.gz QFHYUQVJJXVGBR-ONOZBBEISA-N 0 0 609.107 4.945 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000408947590 1066733314 /nfs/dbraw/zinc/73/33/14/1066733314.db2.gz JJMNFXNWMYULCP-CYWQULDYSA-N 0 0 687.533 4.822 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000408947593 1066733245 /nfs/dbraw/zinc/73/32/45/1066733245.db2.gz JJMNFXNWMYULCP-HQXKZIQUSA-N 0 0 687.533 4.822 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000408947597 1066285042 /nfs/dbraw/zinc/28/50/42/1066285042.db2.gz JJMNFXNWMYULCP-LEVKBLFJSA-N 0 0 687.533 4.822 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000408947599 1066733251 /nfs/dbraw/zinc/73/32/51/1066733251.db2.gz JJMNFXNWMYULCP-LFYAHHGPSA-N 0 0 687.533 4.822 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408947779 1066733238 /nfs/dbraw/zinc/73/32/38/1066733238.db2.gz JQNXKQSHEDOKBM-JIRHHSCVSA-N 0 0 648.456 4.682 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408947782 1066733348 /nfs/dbraw/zinc/73/33/48/1066733348.db2.gz JQNXKQSHEDOKBM-NHFFCBNJSA-N 0 0 648.456 4.682 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408947784 1066284895 /nfs/dbraw/zinc/28/48/95/1066284895.db2.gz JQNXKQSHEDOKBM-NRWZPOIPSA-N 0 0 648.456 4.682 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408947787 1066733300 /nfs/dbraw/zinc/73/33/00/1066733300.db2.gz JQNXKQSHEDOKBM-UGPBLLATSA-N 0 0 648.456 4.682 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc3ccccc3c2)c1C ZINC000408947979 1066732902 /nfs/dbraw/zinc/73/29/02/1066732902.db2.gz JZRDBAFBZVXBFP-COGPIWQNSA-N 0 0 611.699 4.768 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc3ccccc3c2)c1C ZINC000408947983 1066285168 /nfs/dbraw/zinc/28/51/68/1066285168.db2.gz JZRDBAFBZVXBFP-FCBIFXJOSA-N 0 0 611.699 4.768 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc3ccccc3c2)c1C ZINC000408947985 1066201472 /nfs/dbraw/zinc/20/14/72/1066201472.db2.gz JZRDBAFBZVXBFP-IOGMQTGMSA-N 0 0 611.699 4.768 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc3ccccc3c2)c1C ZINC000408947988 1066732779 /nfs/dbraw/zinc/73/27/79/1066732779.db2.gz JZRDBAFBZVXBFP-JIPNOAAYSA-N 0 0 611.699 4.768 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408947990 1066732848 /nfs/dbraw/zinc/73/28/48/1066732848.db2.gz KAQXXBXPRUJOIL-DWWBMQJSSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408947992 1066284957 /nfs/dbraw/zinc/28/49/57/1066284957.db2.gz KAQXXBXPRUJOIL-IMXHJNEVSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408947994 1066201214 /nfs/dbraw/zinc/20/12/14/1066201214.db2.gz KAQXXBXPRUJOIL-KLTFURLCSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000408947996 1066732749 /nfs/dbraw/zinc/73/27/49/1066732749.db2.gz KAQXXBXPRUJOIL-VMDHKMKVSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408948012 1066285125 /nfs/dbraw/zinc/28/51/25/1066285125.db2.gz KBITVIZUOZDWIS-CERVVBPASA-N 0 0 678.142 4.710 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408948015 1066201273 /nfs/dbraw/zinc/20/12/73/1066201273.db2.gz KBITVIZUOZDWIS-KCIOEORNSA-N 0 0 678.142 4.710 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408948017 1066732794 /nfs/dbraw/zinc/73/27/94/1066732794.db2.gz KBITVIZUOZDWIS-PVEPWZHISA-N 0 0 678.142 4.710 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408948019 1066732785 /nfs/dbraw/zinc/73/27/85/1066732785.db2.gz KBITVIZUOZDWIS-RHJSPPDHSA-N 0 0 678.142 4.710 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408948031 1066284930 /nfs/dbraw/zinc/28/49/30/1066284930.db2.gz KBXWZYSMGAHQBN-CFXZTRMJSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408948033 1066732868 /nfs/dbraw/zinc/73/28/68/1066732868.db2.gz KBXWZYSMGAHQBN-JEUQEEEISA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408948036 1066732802 /nfs/dbraw/zinc/73/28/02/1066732802.db2.gz KBXWZYSMGAHQBN-KKVRIENKSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408948039 1066732859 /nfs/dbraw/zinc/73/28/59/1066732859.db2.gz KBXWZYSMGAHQBN-RMTYXQARSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408948089 1066732335 /nfs/dbraw/zinc/73/23/35/1066732335.db2.gz KDHCRCOPOIDXME-CYWQULDYSA-N 0 0 731.984 4.931 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408948094 1066732397 /nfs/dbraw/zinc/73/23/97/1066732397.db2.gz KDHCRCOPOIDXME-HQXKZIQUSA-N 0 0 731.984 4.931 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408948097 1066285812 /nfs/dbraw/zinc/28/58/12/1066285812.db2.gz KDHCRCOPOIDXME-LEVKBLFJSA-N 0 0 731.984 4.931 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408948100 1066732378 /nfs/dbraw/zinc/73/23/78/1066732378.db2.gz KDHCRCOPOIDXME-LFYAHHGPSA-N 0 0 731.984 4.931 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000408948175 1066732923 /nfs/dbraw/zinc/73/29/23/1066732923.db2.gz KFKXDRYNBPOHOV-CXULKPBBSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000408948178 1066285567 /nfs/dbraw/zinc/28/55/67/1066285567.db2.gz KFKXDRYNBPOHOV-KKPDBWAYSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000408948181 1066285609 /nfs/dbraw/zinc/28/56/09/1066285609.db2.gz KFKXDRYNBPOHOV-MEKONTDUSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000408948185 1066732912 /nfs/dbraw/zinc/73/29/12/1066732912.db2.gz KFKXDRYNBPOHOV-NJAOJLFESA-N 0 0 653.530 4.549 40 30 KJEBRN C=CCn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)c2ccccc21 ZINC000408948429 1066732439 /nfs/dbraw/zinc/73/24/39/1066732439.db2.gz ROBKJTNIHUDWAN-LMSRTUJASA-N 0 0 548.064 4.519 40 30 KJEBRN C=CCn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)c2ccccc21 ZINC000408948433 1066732322 /nfs/dbraw/zinc/73/23/22/1066732322.db2.gz ROBKJTNIHUDWAN-RISWYLRJSA-N 0 0 548.064 4.519 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408948468 1066285675 /nfs/dbraw/zinc/28/56/75/1066285675.db2.gz KIIRUGFEYDDYFE-CERVVBPASA-N 0 0 722.593 4.819 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408948471 1066732299 /nfs/dbraw/zinc/73/22/99/1066732299.db2.gz KIIRUGFEYDDYFE-KCIOEORNSA-N 0 0 722.593 4.819 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408948473 1066732250 /nfs/dbraw/zinc/73/22/50/1066732250.db2.gz KIIRUGFEYDDYFE-PVEPWZHISA-N 0 0 722.593 4.819 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408948475 1066732416 /nfs/dbraw/zinc/73/24/16/1066732416.db2.gz KIIRUGFEYDDYFE-RHJSPPDHSA-N 0 0 722.593 4.819 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408948494 1066732221 /nfs/dbraw/zinc/73/22/21/1066732221.db2.gz KLWYPXAPCQFQSA-DPHROHOHSA-N 0 0 678.142 4.710 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408948496 1066732410 /nfs/dbraw/zinc/73/24/10/1066732410.db2.gz KLWYPXAPCQFQSA-HJJWUPHOSA-N 0 0 678.142 4.710 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408948497 1066732277 /nfs/dbraw/zinc/73/22/77/1066732277.db2.gz KLWYPXAPCQFQSA-NWXABMEUSA-N 0 0 678.142 4.710 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408948499 1066732208 /nfs/dbraw/zinc/73/22/08/1066732208.db2.gz KLWYPXAPCQFQSA-QRQPCBDQSA-N 0 0 678.142 4.710 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccc(Br)cc1 ZINC000408948501 1066732311 /nfs/dbraw/zinc/73/23/11/1066732311.db2.gz KNVCDMMDILEJAX-DPRDKXMKSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccc(Br)cc1 ZINC000408948502 1066285854 /nfs/dbraw/zinc/28/58/54/1066285854.db2.gz KNVCDMMDILEJAX-QQSWJJLXSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccc(Br)cc1 ZINC000408948503 1066732265 /nfs/dbraw/zinc/73/22/65/1066732265.db2.gz KNVCDMMDILEJAX-SPTQHHDASA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccc(Br)cc1 ZINC000408948505 1066285826 /nfs/dbraw/zinc/28/58/26/1066285826.db2.gz KNVCDMMDILEJAX-VWKYXUFQSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000408948665 1066731834 /nfs/dbraw/zinc/73/18/34/1066731834.db2.gz KWTBOSMUYOREMU-AXKHWPSZSA-N 0 0 603.720 4.738 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000408948668 1066731803 /nfs/dbraw/zinc/73/18/03/1066731803.db2.gz KWTBOSMUYOREMU-JRJHLGQKSA-N 0 0 603.720 4.738 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000408948800 1066731913 /nfs/dbraw/zinc/73/19/13/1066731913.db2.gz KWTBOSMUYOREMU-ROHOFUQQSA-N 0 0 603.720 4.738 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000408948801 1066285552 /nfs/dbraw/zinc/28/55/52/1066285552.db2.gz KWTBOSMUYOREMU-YTUNMURWSA-N 0 0 603.720 4.738 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000408948857 1066731749 /nfs/dbraw/zinc/73/17/49/1066731749.db2.gz KYRWQKKMFZVRPP-DEESYGRUSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000408948860 1066731813 /nfs/dbraw/zinc/73/18/13/1066731813.db2.gz KYRWQKKMFZVRPP-MZMJXSTFSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000408948869 1066731872 /nfs/dbraw/zinc/73/18/72/1066731872.db2.gz KYRWQKKMFZVRPP-PZTKYJRTSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000408948872 1066731712 /nfs/dbraw/zinc/73/17/12/1066731712.db2.gz KYRWQKKMFZVRPP-STZNVWQGSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(C)cc2)c(I)c1 ZINC000408949017 1066731308 /nfs/dbraw/zinc/73/13/08/1066731308.db2.gz LGKXBRDFOQKEHS-CBXWFWILSA-N 0 0 714.557 4.699 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(C)cc2)c(I)c1 ZINC000408949021 1066731382 /nfs/dbraw/zinc/73/13/82/1066731382.db2.gz LGKXBRDFOQKEHS-MCOUPYJHSA-N 0 0 714.557 4.699 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(C)cc2)c(I)c1 ZINC000408949025 1066731322 /nfs/dbraw/zinc/73/13/22/1066731322.db2.gz LGKXBRDFOQKEHS-UVTRAYBSSA-N 0 0 714.557 4.699 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(C)cc2)c(I)c1 ZINC000408949029 1066731421 /nfs/dbraw/zinc/73/14/21/1066731421.db2.gz LGKXBRDFOQKEHS-VLHNTZRTSA-N 0 0 714.557 4.699 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 ZINC000408949104 1066731367 /nfs/dbraw/zinc/73/13/67/1066731367.db2.gz QLHODUJVAFTXAE-DEDRDRDXSA-N 0 0 572.690 4.861 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 ZINC000408949107 1066731792 /nfs/dbraw/zinc/73/17/92/1066731792.db2.gz QLHODUJVAFTXAE-ITNAUSPISA-N 0 0 572.690 4.861 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCC#N)c(=O)n32)cc1 ZINC000408949137 1066731441 /nfs/dbraw/zinc/73/14/41/1066731441.db2.gz QNTKHCANXZGASK-FHMSYZJOSA-N 0 0 585.085 4.828 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCC#N)c(=O)n32)cc1 ZINC000408949138 1066286546 /nfs/dbraw/zinc/28/65/46/1066286546.db2.gz QNTKHCANXZGASK-OXWVMCNISA-N 0 0 585.085 4.828 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408949414 1066731023 /nfs/dbraw/zinc/73/10/23/1066731023.db2.gz LMQWDGAUDVVUGF-NHENMLNDSA-N 0 0 630.529 4.921 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408949420 1066730962 /nfs/dbraw/zinc/73/09/62/1066730962.db2.gz LMQWDGAUDVVUGF-QAYUFCQHSA-N 0 0 630.529 4.921 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408949424 1066730914 /nfs/dbraw/zinc/73/09/14/1066730914.db2.gz LMQWDGAUDVVUGF-YFSDQLIYSA-N 0 0 630.529 4.921 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000408949427 1066730947 /nfs/dbraw/zinc/73/09/47/1066730947.db2.gz LMQWDGAUDVVUGF-YVTKUGIUSA-N 0 0 630.529 4.921 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(F)cc1 ZINC000408949453 1066283182 /nfs/dbraw/zinc/28/31/82/1066283182.db2.gz LOOLLNSMHIRRHT-KAXZEMDMSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(F)cc1 ZINC000408949456 1066731426 /nfs/dbraw/zinc/73/14/26/1066731426.db2.gz LOOLLNSMHIRRHT-MLRYTHHKSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(F)cc1 ZINC000408949460 1066283260 /nfs/dbraw/zinc/28/32/60/1066283260.db2.gz LOOLLNSMHIRRHT-PIWJFTSUSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccc(F)cc1 ZINC000408949465 1066283128 /nfs/dbraw/zinc/28/31/28/1066283128.db2.gz LOOLLNSMHIRRHT-XOBQIWCOSA-N 0 0 701.546 4.696 40 30 KJEBRN COCCN1C(=O)/C(=C/c2cc(Br)c(I)o2)SC1=Nc1ccccc1 ZINC000408949612 1066730906 /nfs/dbraw/zinc/73/09/06/1066730906.db2.gz BNZGABMSTCXTJU-IUUVDYQKSA-N 0 0 533.185 4.897 40 30 KJEBRN O=C1/C(=C/c2cc(Br)c(I)o2)SC(=Nc2ccccc2)N1CCCN1CCOCC1 ZINC000408949620 1066283674 /nfs/dbraw/zinc/28/36/74/1066283674.db2.gz BPGIYUIJSDISNW-ZUGBYVCQSA-N 0 0 602.292 4.973 40 30 KJEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OC)c(OCC)c3)S2)cc1 ZINC000408949951 1066730952 /nfs/dbraw/zinc/73/09/52/1066730952.db2.gz CQHQOFQKUZEHFK-LDADJPATSA-N 0 0 524.380 4.989 40 30 KJEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(I)o3)S2)cc1 ZINC000408949995 1066731031 /nfs/dbraw/zinc/73/10/31/1066731031.db2.gz CYNHOOZDEKXCJC-JYRVWZFOSA-N 0 0 519.158 4.937 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1I ZINC000408950481 1066283807 /nfs/dbraw/zinc/28/38/07/1066283807.db2.gz FIRPDFPAPZWWDR-XDHOZWIPSA-N 0 0 552.390 4.523 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(I)o3)S2)cc1 ZINC000408950488 1066730568 /nfs/dbraw/zinc/73/05/68/1066730568.db2.gz FNBKUEGXQLIRFL-GHXNOFRVSA-N 0 0 505.131 4.547 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408950551 1066730502 /nfs/dbraw/zinc/73/05/02/1066730502.db2.gz MHQHDTBPOLDRFX-BQWLSSAGSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408950552 1066730929 /nfs/dbraw/zinc/73/09/29/1066730929.db2.gz MHQHDTBPOLDRFX-CBSHNWSOSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408950553 1066730987 /nfs/dbraw/zinc/73/09/87/1066730987.db2.gz MHQHDTBPOLDRFX-NGKRXKQJSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408950554 1066283866 /nfs/dbraw/zinc/28/38/66/1066283866.db2.gz MHQHDTBPOLDRFX-XLHOQBSHSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1C#N ZINC000408950603 1066283577 /nfs/dbraw/zinc/28/35/77/1066283577.db2.gz MJIMQRYUDYAKRN-DHLXDNGTSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1C#N ZINC000408950606 1066201223 /nfs/dbraw/zinc/20/12/23/1066201223.db2.gz MJIMQRYUDYAKRN-IVHJRGKWSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1C#N ZINC000408950608 1066730577 /nfs/dbraw/zinc/73/05/77/1066730577.db2.gz MJIMQRYUDYAKRN-PBBAZZSJSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1C#N ZINC000408950609 1066730526 /nfs/dbraw/zinc/73/05/26/1066730526.db2.gz MJIMQRYUDYAKRN-XUCRKACVSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408950612 1066730557 /nfs/dbraw/zinc/73/05/57/1066730557.db2.gz MKFIAGDBTXJSLW-IUXVCIAQSA-N 0 0 744.583 4.708 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408950614 1066730460 /nfs/dbraw/zinc/73/04/60/1066730460.db2.gz MKFIAGDBTXJSLW-JOTBEHJOSA-N 0 0 744.583 4.708 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408950617 1066730490 /nfs/dbraw/zinc/73/04/90/1066730490.db2.gz MKFIAGDBTXJSLW-KOMPRGEESA-N 0 0 744.583 4.708 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408950618 1066283851 /nfs/dbraw/zinc/28/38/51/1066283851.db2.gz MKFIAGDBTXJSLW-MCZUBNKPSA-N 0 0 744.583 4.708 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(I)cc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408950658 1066730510 /nfs/dbraw/zinc/73/05/10/1066730510.db2.gz MLMDPJHVVIBSSJ-CERVVBPASA-N 0 0 802.619 4.576 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(I)cc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408950660 1066730495 /nfs/dbraw/zinc/73/04/95/1066730495.db2.gz MLMDPJHVVIBSSJ-KCIOEORNSA-N 0 0 802.619 4.576 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(I)cc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408950665 1066730550 /nfs/dbraw/zinc/73/05/50/1066730550.db2.gz MLMDPJHVVIBSSJ-PVEPWZHISA-N 0 0 802.619 4.576 40 30 KJEBRN CCOC(=O)c1ccc(COc2c(I)cc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408950669 1066730464 /nfs/dbraw/zinc/73/04/64/1066730464.db2.gz MLMDPJHVVIBSSJ-RHJSPPDHSA-N 0 0 802.619 4.576 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000408950721 1066730049 /nfs/dbraw/zinc/73/00/49/1066730049.db2.gz MNATVAIVHSSZBS-MVCGSSBOSA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000408950725 1066201304 /nfs/dbraw/zinc/20/13/04/1066201304.db2.gz MNATVAIVHSSZBS-SLABUNATSA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000408950728 1066730095 /nfs/dbraw/zinc/73/00/95/1066730095.db2.gz MNATVAIVHSSZBS-VDTKIMDMSA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000408950731 1066730476 /nfs/dbraw/zinc/73/04/76/1066730476.db2.gz MNATVAIVHSSZBS-XKZGXNJQSA-N 0 0 697.583 4.947 40 30 KJEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)cc1 ZINC000408950820 1066730536 /nfs/dbraw/zinc/73/05/36/1066730536.db2.gz GJZLJYNPQWDZNB-ZCHNHGOOSA-N 0 0 502.640 4.812 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(OCc5ccc(C#N)cc5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408950860 1066730118 /nfs/dbraw/zinc/73/01/18/1066730118.db2.gz UJIHCSGIXCSICU-CSJGQJTISA-N 0 0 639.730 4.665 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(OCc5ccc(C#N)cc5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408950869 1066730132 /nfs/dbraw/zinc/73/01/32/1066730132.db2.gz UJIHCSGIXCSICU-YXHKLRKPSA-N 0 0 639.730 4.665 40 30 KJEBRN C#CCOc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1I ZINC000408951081 1066283745 /nfs/dbraw/zinc/28/37/45/1066283745.db2.gz HUTYZLFERVLFFS-CPNJWEJPSA-N 0 0 504.349 4.594 40 30 KJEBRN CN(C)c1ccc(N=C2S/C(=C\c3cc(Br)c(I)o3)C(=O)N2C)cc1 ZINC000408951182 1066729670 /nfs/dbraw/zinc/72/96/70/1066729670.db2.gz IADWDWIPDSUXMD-FMVWKBIMSA-N 0 0 532.201 4.947 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408951189 1066730157 /nfs/dbraw/zinc/73/01/57/1066730157.db2.gz MVVYHDZSRNWOCB-IUXVCIAQSA-N 0 0 653.132 4.757 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408951191 1066287885 /nfs/dbraw/zinc/28/78/85/1066287885.db2.gz MVVYHDZSRNWOCB-JOTBEHJOSA-N 0 0 653.132 4.757 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408951192 1066729991 /nfs/dbraw/zinc/72/99/91/1066729991.db2.gz MVVYHDZSRNWOCB-KOMPRGEESA-N 0 0 653.132 4.757 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408951195 1066287766 /nfs/dbraw/zinc/28/77/66/1066287766.db2.gz MVVYHDZSRNWOCB-MCZUBNKPSA-N 0 0 653.132 4.757 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408951214 1066287676 /nfs/dbraw/zinc/28/76/76/1066287676.db2.gz MWRUDOLTTKEOOD-FIBOSVDASA-N 0 0 617.747 4.912 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408951219 1066730147 /nfs/dbraw/zinc/73/01/47/1066730147.db2.gz MWRUDOLTTKEOOD-IQPCBSPTSA-N 0 0 617.747 4.912 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408951221 1066730137 /nfs/dbraw/zinc/73/01/37/1066730137.db2.gz MWRUDOLTTKEOOD-LAUQZSHOSA-N 0 0 617.747 4.912 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408951225 1066730109 /nfs/dbraw/zinc/73/01/09/1066730109.db2.gz MWRUDOLTTKEOOD-SAWFSPGJSA-N 0 0 617.747 4.912 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000408951229 1066201460 /nfs/dbraw/zinc/20/14/60/1066201460.db2.gz MXIWXHICUZUTML-BYVFGRFUSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000408951232 1066730161 /nfs/dbraw/zinc/73/01/61/1066730161.db2.gz MXIWXHICUZUTML-DWVWSVQKSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000408951235 1066287754 /nfs/dbraw/zinc/28/77/54/1066287754.db2.gz MXIWXHICUZUTML-WSBHJNERSA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000408951238 1066730166 /nfs/dbraw/zinc/73/01/66/1066730166.db2.gz MXIWXHICUZUTML-ZAUYFLTESA-N 0 0 624.694 4.939 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000408951251 1066287724 /nfs/dbraw/zinc/28/77/24/1066287724.db2.gz MXXYKSMHXNWEHG-DHLXDNGTSA-N 0 0 668.534 4.965 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000408951253 1066730040 /nfs/dbraw/zinc/73/00/40/1066730040.db2.gz MXXYKSMHXNWEHG-IVHJRGKWSA-N 0 0 668.534 4.965 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000408951257 1066287857 /nfs/dbraw/zinc/28/78/57/1066287857.db2.gz MXXYKSMHXNWEHG-PBBAZZSJSA-N 0 0 668.534 4.965 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000408951259 1066730034 /nfs/dbraw/zinc/73/00/34/1066730034.db2.gz MXXYKSMHXNWEHG-XUCRKACVSA-N 0 0 668.534 4.965 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408951381 1066287842 /nfs/dbraw/zinc/28/78/42/1066287842.db2.gz TWZJUMCYUQJQPO-CVXGXVHTSA-N 0 0 584.097 4.938 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408951387 1066729578 /nfs/dbraw/zinc/72/95/78/1066729578.db2.gz TWZJUMCYUQJQPO-ZIRCPPMYSA-N 0 0 584.097 4.938 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCC#N)c(OC)c4)c(=O)n32)cc1 ZINC000408951543 1066729608 /nfs/dbraw/zinc/72/96/08/1066729608.db2.gz USGIRIHKSCOKJF-FHMSYZJOSA-N 0 0 615.111 4.837 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCC#N)c(OC)c4)c(=O)n32)cc1 ZINC000408951544 1066729591 /nfs/dbraw/zinc/72/95/91/1066729591.db2.gz USGIRIHKSCOKJF-OXWVMCNISA-N 0 0 615.111 4.837 40 30 KJEBRN C=CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408951555 1066729629 /nfs/dbraw/zinc/72/96/29/1066729629.db2.gz UNLNHLURAHJODO-KIQOBVLXSA-N 0 0 570.667 4.534 40 30 KJEBRN C=CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408951556 1066288268 /nfs/dbraw/zinc/28/82/68/1066288268.db2.gz UNLNHLURAHJODO-NTJADAFJSA-N 0 0 570.667 4.534 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OC ZINC000408951595 1066729602 /nfs/dbraw/zinc/72/96/02/1066729602.db2.gz JFAAIFIPBUMEEY-XDHOZWIPSA-N 0 0 582.416 4.532 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)ccc4OCc4ccc(C#N)cc4)c(=O)n32)cc1OCC ZINC000408951624 1066729617 /nfs/dbraw/zinc/72/96/17/1066729617.db2.gz USOTWHDWMDMUGQ-BCQKFBGJSA-N 0 0 630.122 4.920 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)ccc4OCc4ccc(C#N)cc4)c(=O)n32)cc1OCC ZINC000408951628 1066729662 /nfs/dbraw/zinc/72/96/62/1066729662.db2.gz USOTWHDWMDMUGQ-MSXCPPJZSA-N 0 0 630.122 4.920 40 30 KJEBRN CN1C(=O)/C(=C/c2cc(Br)c(I)o2)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408951629 1066284167 /nfs/dbraw/zinc/28/41/67/1066284167.db2.gz JHVILXJDXZAQRZ-JTKJEDPUSA-N 0 0 574.238 4.717 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000408951651 1066729625 /nfs/dbraw/zinc/72/96/25/1066729625.db2.gz NGXPBCZUWNDHOY-FLVCQPMSSA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000408951654 1066729584 /nfs/dbraw/zinc/72/95/84/1066729584.db2.gz NGXPBCZUWNDHOY-FNTKOXOASA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000408951657 1066729562 /nfs/dbraw/zinc/72/95/62/1066729562.db2.gz NGXPBCZUWNDHOY-JKFHCYMESA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000408951661 1066729611 /nfs/dbraw/zinc/72/96/11/1066729611.db2.gz NGXPBCZUWNDHOY-OCAWQVEHSA-N 0 0 671.122 4.977 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OCC ZINC000408951718 1066729568 /nfs/dbraw/zinc/72/95/68/1066729568.db2.gz JWASPZOPNAJYKV-XSFVSMFZSA-N 0 0 548.402 4.992 40 30 KJEBRN C=CCOc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408951729 1066729621 /nfs/dbraw/zinc/72/96/21/1066729621.db2.gz UXKWJBGRZRITRM-JDQXFBDKSA-N 0 0 678.399 4.905 40 30 KJEBRN C=CCOc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408951733 1066288337 /nfs/dbraw/zinc/28/83/37/1066288337.db2.gz UXKWJBGRZRITRM-NXAROGRYSA-N 0 0 678.399 4.905 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OC ZINC000408951766 1066284188 /nfs/dbraw/zinc/28/41/88/1066284188.db2.gz JZSHAVJEMWCJJR-RGVLZGJSSA-N 0 0 535.416 4.690 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408951822 1066729165 /nfs/dbraw/zinc/72/91/65/1066729165.db2.gz VAMOQONOPZLKRM-DQARITGZSA-N 0 0 586.069 4.521 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408951826 1066729147 /nfs/dbraw/zinc/72/91/47/1066729147.db2.gz VAMOQONOPZLKRM-YRSDHNRQSA-N 0 0 586.069 4.521 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000408951897 1066729187 /nfs/dbraw/zinc/72/91/87/1066729187.db2.gz NNLUAJSWBRILTB-BVTFRONHSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000408951901 1066288310 /nfs/dbraw/zinc/28/83/10/1066288310.db2.gz NNLUAJSWBRILTB-KJKYMQMDSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000408951904 1066288364 /nfs/dbraw/zinc/28/83/64/1066288364.db2.gz NNLUAJSWBRILTB-OCXLSZSESA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000408951909 1066729177 /nfs/dbraw/zinc/72/91/77/1066729177.db2.gz NNLUAJSWBRILTB-QPFMNXPFSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408951952 1066729157 /nfs/dbraw/zinc/72/91/57/1066729157.db2.gz NQARHQLEHNZDMX-KKAIHFHCSA-N 0 0 741.592 4.676 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408951955 1066729206 /nfs/dbraw/zinc/72/92/06/1066729206.db2.gz NQARHQLEHNZDMX-KOPRMHSSSA-N 0 0 741.592 4.676 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408951958 1066201763 /nfs/dbraw/zinc/20/17/63/1066201763.db2.gz NQARHQLEHNZDMX-LQFPVQSQSA-N 0 0 741.592 4.676 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408951961 1066729095 /nfs/dbraw/zinc/72/90/95/1066729095.db2.gz NQARHQLEHNZDMX-QNIXPLDZSA-N 0 0 741.592 4.676 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OC ZINC000408952151 1066284264 /nfs/dbraw/zinc/28/42/64/1066284264.db2.gz KNFPKOISTJOLFT-CPNJWEJPSA-N 0 0 534.375 4.602 40 30 KJEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)OC)c(Br)c3)S2)cc1 ZINC000408952225 1066285200 /nfs/dbraw/zinc/28/52/00/1066285200.db2.gz LMPOQWLMQSSXDU-LICLKQGHSA-N 0 0 525.808 4.945 40 30 KJEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OCC(=O)OC)c(I)c3)S2)cc1 ZINC000408952234 1066729051 /nfs/dbraw/zinc/72/90/51/1066729051.db2.gz LOQFMHKIIPWRRY-LICLKQGHSA-N 0 0 664.259 4.738 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(Br)cc2C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408952267 1066286311 /nfs/dbraw/zinc/28/63/11/1066286311.db2.gz NUMKFVAVAMLQKL-FWBLWSFOSA-N 0 0 725.593 4.725 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(Br)cc2C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408952268 1066729056 /nfs/dbraw/zinc/72/90/56/1066729056.db2.gz NUMKFVAVAMLQKL-GBGCSXOCSA-N 0 0 725.593 4.725 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(Br)cc2C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408952269 1066729111 /nfs/dbraw/zinc/72/91/11/1066729111.db2.gz NUMKFVAVAMLQKL-UQEURQQOSA-N 0 0 725.593 4.725 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(Br)cc2C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408952270 1066729122 /nfs/dbraw/zinc/72/91/22/1066729122.db2.gz NUMKFVAVAMLQKL-WWZSTUTESA-N 0 0 725.593 4.725 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(F)cc1 ZINC000408952324 1066728630 /nfs/dbraw/zinc/72/86/30/1066728630.db2.gz NYMYRBPLVMWHQB-KAXZEMDMSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(F)cc1 ZINC000408952326 1066286203 /nfs/dbraw/zinc/28/62/03/1066286203.db2.gz NYMYRBPLVMWHQB-MLRYTHHKSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(F)cc1 ZINC000408952329 1066728643 /nfs/dbraw/zinc/72/86/43/1066728643.db2.gz NYMYRBPLVMWHQB-PIWJFTSUSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OCc1ccc(F)cc1 ZINC000408952331 1066286400 /nfs/dbraw/zinc/28/64/00/1066286400.db2.gz NYMYRBPLVMWHQB-XOBQIWCOSA-N 0 0 748.546 4.538 40 30 KJEBRN COC(=O)c1ccc(N=C2S/C(=C\c3cc(Br)c(I)o3)C(=O)N2C)cc1 ZINC000408952663 1066285841 /nfs/dbraw/zinc/28/58/41/1066285841.db2.gz MCHCQEMKXFCIQD-FWAMYBDSSA-N 0 0 547.168 4.667 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408952727 1066728580 /nfs/dbraw/zinc/72/85/80/1066728580.db2.gz WRVXJKMEKFYHBQ-CVXGXVHTSA-N 0 0 614.123 4.947 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408952730 1066286251 /nfs/dbraw/zinc/28/62/51/1066286251.db2.gz WRVXJKMEKFYHBQ-ZIRCPPMYSA-N 0 0 614.123 4.947 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408952794 1066728121 /nfs/dbraw/zinc/72/81/21/1066728121.db2.gz VWPYNWQZEFNADH-BUDNTJSZSA-N 0 0 616.095 4.529 40 30 KJEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408952797 1066728179 /nfs/dbraw/zinc/72/81/79/1066728179.db2.gz VWPYNWQZEFNADH-FCVOFCDTSA-N 0 0 616.095 4.529 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(C)n(Cc5ccccc5C#N)c5ccccc45)c(=O)n32)cc1OCC ZINC000408952816 1066728670 /nfs/dbraw/zinc/72/86/70/1066728670.db2.gz VXZOKBJVRYAJQM-RXDSJMIBSA-N 0 0 632.742 4.999 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(C)n(Cc5ccccc5C#N)c5ccccc45)c(=O)n32)cc1OCC ZINC000408952818 1066728678 /nfs/dbraw/zinc/72/86/78/1066728678.db2.gz VXZOKBJVRYAJQM-ZINCNNOSSA-N 0 0 632.742 4.999 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(Br)ccc1OC)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408952826 1066286281 /nfs/dbraw/zinc/28/62/81/1066286281.db2.gz VYMVUJCXEKFCKL-CBYYHRJHSA-N 0 0 583.504 4.523 40 30 KJEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(Br)ccc1OC)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408952827 1066728745 /nfs/dbraw/zinc/72/87/45/1066728745.db2.gz VYMVUJCXEKFCKL-PNZYDNNZSA-N 0 0 583.504 4.523 40 30 KJEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OCC(=O)OC)c(OCC)c3)S2)cc1 ZINC000408952942 1066285561 /nfs/dbraw/zinc/28/55/61/1066285561.db2.gz NHNKTKTZODFFKH-XDHOZWIPSA-N 0 0 582.416 4.532 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408952978 1066728142 /nfs/dbraw/zinc/72/81/42/1066728142.db2.gz OKTOVYGNVCMJIC-BVTFRONHSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCC(=O)OC)c(OCC)c3)S2)cc1 ZINC000408952979 1066728050 /nfs/dbraw/zinc/72/80/50/1066728050.db2.gz NOYDAOWBJKXJEO-XDHOZWIPSA-N 0 0 535.416 4.690 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408952981 1066728203 /nfs/dbraw/zinc/72/82/03/1066728203.db2.gz OKTOVYGNVCMJIC-KJKYMQMDSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408952984 1066728068 /nfs/dbraw/zinc/72/80/68/1066728068.db2.gz OKTOVYGNVCMJIC-OCXLSZSESA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408952988 1066286491 /nfs/dbraw/zinc/28/64/91/1066286491.db2.gz OKTOVYGNVCMJIC-QPFMNXPFSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1Br ZINC000408953123 1066737843 /nfs/dbraw/zinc/73/78/43/1066737843.db2.gz OKHSWQXKFBAIMM-XDHOZWIPSA-N 0 0 505.390 4.681 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OC ZINC000408953525 1066737876 /nfs/dbraw/zinc/73/78/76/1066737876.db2.gz QHAPOGSEUXQWHZ-XDHOZWIPSA-N 0 0 535.416 4.690 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OCc5ccc(C#N)cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408953529 1066737932 /nfs/dbraw/zinc/73/79/32/1066737932.db2.gz WOSPTLADQMZVJG-MSXMGWOJSA-N 0 0 751.599 4.879 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OCc5ccc(C#N)cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408953532 1066737846 /nfs/dbraw/zinc/73/78/46/1066737846.db2.gz WOSPTLADQMZVJG-VMRSUCRISA-N 0 0 751.599 4.879 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(OCC)c4)c(=O)n32)cc1 ZINC000408953789 1066737546 /nfs/dbraw/zinc/73/75/46/1066737546.db2.gz YDCPWIQAZYQJAF-UXCHMGEPSA-N 0 0 594.693 4.574 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc3ccccc32)c(OC)c1 ZINC000408953793 1066286964 /nfs/dbraw/zinc/28/69/64/1066286964.db2.gz PBCOPUORIVMSLI-MRWDSPLUSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(OCC)c4)c(=O)n32)cc1 ZINC000408953795 1066737415 /nfs/dbraw/zinc/73/74/15/1066737415.db2.gz YDCPWIQAZYQJAF-ZJZHBOIVSA-N 0 0 594.693 4.574 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc3ccccc32)c(OC)c1 ZINC000408953796 1066287124 /nfs/dbraw/zinc/28/71/24/1066287124.db2.gz PBCOPUORIVMSLI-NHXTXDHDSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc3ccccc32)c(OC)c1 ZINC000408953798 1066737471 /nfs/dbraw/zinc/73/74/71/1066737471.db2.gz PBCOPUORIVMSLI-PFRZIKJPSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc3ccccc32)c(OC)c1 ZINC000408953800 1066287152 /nfs/dbraw/zinc/28/71/52/1066287152.db2.gz PBCOPUORIVMSLI-XTYBILLZSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OCc1ccccc1 ZINC000408953803 1066737373 /nfs/dbraw/zinc/73/73/73/1066737373.db2.gz PBHKIGUFXOTEAF-BVTFRONHSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OCc1ccccc1 ZINC000408953805 1066737605 /nfs/dbraw/zinc/73/76/05/1066737605.db2.gz PBHKIGUFXOTEAF-KJKYMQMDSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OCc1ccccc1 ZINC000408953807 1066737360 /nfs/dbraw/zinc/73/73/60/1066737360.db2.gz PBHKIGUFXOTEAF-OCXLSZSESA-N 0 0 653.530 4.549 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OCc1ccccc1 ZINC000408953809 1066737383 /nfs/dbraw/zinc/73/73/83/1066737383.db2.gz PBHKIGUFXOTEAF-QPFMNXPFSA-N 0 0 653.530 4.549 40 30 KJEBRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=Nc2ccc(OCC)cc2)NC1=O ZINC000408953923 1066286951 /nfs/dbraw/zinc/28/69/51/1066286951.db2.gz QQMQCFVHAYTHNQ-XDHOZWIPSA-N 0 0 505.390 4.681 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(C)c2)c(Br)c1 ZINC000408954153 1066736941 /nfs/dbraw/zinc/73/69/41/1066736941.db2.gz PHBXNDOVJMCSMP-CBXWFWILSA-N 0 0 667.557 4.857 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(C)c2)c(Br)c1 ZINC000408954156 1066736710 /nfs/dbraw/zinc/73/67/10/1066736710.db2.gz PHBXNDOVJMCSMP-MCOUPYJHSA-N 0 0 667.557 4.857 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(C)c2)c(Br)c1 ZINC000408954160 1066736762 /nfs/dbraw/zinc/73/67/62/1066736762.db2.gz PHBXNDOVJMCSMP-UVTRAYBSSA-N 0 0 667.557 4.857 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(C)c2)c(Br)c1 ZINC000408954164 1066736694 /nfs/dbraw/zinc/73/66/94/1066736694.db2.gz PHBXNDOVJMCSMP-VLHNTZRTSA-N 0 0 667.557 4.857 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OCC ZINC000408954206 1066736896 /nfs/dbraw/zinc/73/68/96/1066736896.db2.gz RWKHQWGXJPCTGU-DEDYPNTBSA-N 0 0 596.443 4.922 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408954216 1066736819 /nfs/dbraw/zinc/73/68/19/1066736819.db2.gz PIBWQGVFBBCOQC-FWBLWSFOSA-N 0 0 681.142 4.616 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408954222 1066736722 /nfs/dbraw/zinc/73/67/22/1066736722.db2.gz PIBWQGVFBBCOQC-GBGCSXOCSA-N 0 0 681.142 4.616 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408954227 1066286961 /nfs/dbraw/zinc/28/69/61/1066286961.db2.gz PIBWQGVFBBCOQC-UQEURQQOSA-N 0 0 681.142 4.616 40 30 KJEBRN CCOC(=O)c1ccc(COc2ccc(Cl)cc2C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408954236 1066736744 /nfs/dbraw/zinc/73/67/44/1066736744.db2.gz PIBWQGVFBBCOQC-WWZSTUTESA-N 0 0 681.142 4.616 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)c(OCc5ccc(C#N)cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408954514 1066736907 /nfs/dbraw/zinc/73/69/07/1066736907.db2.gz XMEGHDPLOPTDGH-MSXMGWOJSA-N 0 0 660.148 4.928 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)c(OCc5ccc(C#N)cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408954515 1066736752 /nfs/dbraw/zinc/73/67/52/1066736752.db2.gz XMEGHDPLOPTDGH-VMRSUCRISA-N 0 0 660.148 4.928 40 30 KJEBRN COC(=O)c1ccc(N=C2S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2C)cc1 ZINC000408954605 1066736770 /nfs/dbraw/zinc/73/67/70/1066736770.db2.gz TZFYDOMQJAAJIO-FWAMYBDSSA-N 0 0 500.168 4.825 40 30 KJEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(O)c(OCC)c3)S2)cc1 ZINC000408954659 1066736447 /nfs/dbraw/zinc/73/64/47/1066736447.db2.gz UJDIDBRPOOTXRX-GZTJUZNOSA-N 0 0 510.353 4.686 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408954840 1066736425 /nfs/dbraw/zinc/73/64/25/1066736425.db2.gz PMOFRKXOLKPCLX-IUXVCIAQSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408954843 1066736396 /nfs/dbraw/zinc/73/63/96/1066736396.db2.gz PMOFRKXOLKPCLX-JOTBEHJOSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408954846 1066736470 /nfs/dbraw/zinc/73/64/70/1066736470.db2.gz PMOFRKXOLKPCLX-KOMPRGEESA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000408954848 1066736441 /nfs/dbraw/zinc/73/64/41/1066736441.db2.gz PMOFRKXOLKPCLX-MCZUBNKPSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408954950 1066736390 /nfs/dbraw/zinc/73/63/90/1066736390.db2.gz PVPLGPFGNDTQIG-CECCWNFLSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408954952 1066736475 /nfs/dbraw/zinc/73/64/75/1066736475.db2.gz PVPLGPFGNDTQIG-IXENOIEWSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408954954 1066736428 /nfs/dbraw/zinc/73/64/28/1066736428.db2.gz PVPLGPFGNDTQIG-PKURCWAJSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408954956 1066736433 /nfs/dbraw/zinc/73/64/33/1066736433.db2.gz PVPLGPFGNDTQIG-VGPIUYNASA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 ZINC000408954987 1066736455 /nfs/dbraw/zinc/73/64/55/1066736455.db2.gz PWYQLJJYTMTQEN-DKSJDMEUSA-N 0 0 668.534 4.965 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 ZINC000408954990 1066736465 /nfs/dbraw/zinc/73/64/65/1066736465.db2.gz PWYQLJJYTMTQEN-LDUKCRMWSA-N 0 0 668.534 4.965 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 ZINC000408954991 1066287005 /nfs/dbraw/zinc/28/70/05/1066287005.db2.gz PWYQLJJYTMTQEN-NRQVMXLESA-N 0 0 668.534 4.965 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 ZINC000408954993 1066736444 /nfs/dbraw/zinc/73/64/44/1066736444.db2.gz PWYQLJJYTMTQEN-UKAYIBCOSA-N 0 0 668.534 4.965 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OCC ZINC000408955077 1066287236 /nfs/dbraw/zinc/28/72/36/1066287236.db2.gz VWZVRIWIZYDZDM-DEDYPNTBSA-N 0 0 504.992 4.971 40 30 KJEBRN CN1C(=O)/C(=C/c2cc(Br)c(I)o2)SC1=Nc1ccc2c(c1)OCO2 ZINC000408955121 1066287706 /nfs/dbraw/zinc/28/77/06/1066287706.db2.gz WJOWBEBFUNXANB-PPWWSIPDSA-N 0 0 533.141 4.609 40 30 KJEBRN COCCN1C(=O)/C(=C/c2cc(Br)c(I)o2)SC1=Nc1ccc(OC)cc1 ZINC000408955130 1066735881 /nfs/dbraw/zinc/73/58/81/1066735881.db2.gz WOBDMVREYUSULR-AHSZANDNSA-N 0 0 563.211 4.906 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(Br)c1OC(C)C ZINC000408955196 1066735923 /nfs/dbraw/zinc/73/59/23/1066735923.db2.gz QBDYCQPCIPTNNY-FFMSWPIDSA-N 0 0 684.382 4.519 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(Br)c1OC(C)C ZINC000408955200 1066736017 /nfs/dbraw/zinc/73/60/17/1066736017.db2.gz QBDYCQPCIPTNNY-NZIXWJBMSA-N 0 0 684.382 4.519 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(Br)c1OC(C)C ZINC000408955203 1066736045 /nfs/dbraw/zinc/73/60/45/1066736045.db2.gz QBDYCQPCIPTNNY-OMYHWCJESA-N 0 0 684.382 4.519 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(Br)c1OC(C)C ZINC000408955206 1066735906 /nfs/dbraw/zinc/73/59/06/1066735906.db2.gz QBDYCQPCIPTNNY-PJTJEKGNSA-N 0 0 684.382 4.519 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1 ZINC000408955221 1066287616 /nfs/dbraw/zinc/28/76/16/1066287616.db2.gz QCTROHIETVSAEA-AZAAPVTNSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1 ZINC000408955226 1066736437 /nfs/dbraw/zinc/73/64/37/1066736437.db2.gz QCTROHIETVSAEA-JDYVNDJZSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1 ZINC000408955229 1066736415 /nfs/dbraw/zinc/73/64/15/1066736415.db2.gz QCTROHIETVSAEA-JUDCPIBXSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1 ZINC000408955234 1066736412 /nfs/dbraw/zinc/73/64/12/1066736412.db2.gz QCTROHIETVSAEA-RWXKJANBSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408955385 1066735932 /nfs/dbraw/zinc/73/59/32/1066735932.db2.gz QJRNYTPYFZLKSX-DEESYGRUSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408955387 1066735572 /nfs/dbraw/zinc/73/55/72/1066735572.db2.gz QJRNYTPYFZLKSX-MZMJXSTFSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408955389 1066287661 /nfs/dbraw/zinc/28/76/61/1066287661.db2.gz QJRNYTPYFZLKSX-PZTKYJRTSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408955393 1066735631 /nfs/dbraw/zinc/73/56/31/1066735631.db2.gz QJRNYTPYFZLKSX-STZNVWQGSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408955435 1066735894 /nfs/dbraw/zinc/73/58/94/1066735894.db2.gz QMHUSHQDVCCLQD-DPHROHOHSA-N 0 0 769.593 4.661 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408955446 1066735968 /nfs/dbraw/zinc/73/59/68/1066735968.db2.gz QMHUSHQDVCCLQD-HJJWUPHOSA-N 0 0 769.593 4.661 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408955452 1066735945 /nfs/dbraw/zinc/73/59/45/1066735945.db2.gz QMHUSHQDVCCLQD-NWXABMEUSA-N 0 0 769.593 4.661 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408955461 1066287692 /nfs/dbraw/zinc/28/76/92/1066287692.db2.gz QMHUSHQDVCCLQD-QRQPCBDQSA-N 0 0 769.593 4.661 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408955612 1066735540 /nfs/dbraw/zinc/73/55/40/1066735540.db2.gz QRPJVCGIELFGDA-IUXVCIAQSA-N 0 0 698.129 4.746 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408955614 1066735469 /nfs/dbraw/zinc/73/54/69/1066735469.db2.gz QRPJVCGIELFGDA-JOTBEHJOSA-N 0 0 698.129 4.746 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408955616 1066735663 /nfs/dbraw/zinc/73/56/63/1066735663.db2.gz QRPJVCGIELFGDA-KOMPRGEESA-N 0 0 698.129 4.746 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408955618 1066735548 /nfs/dbraw/zinc/73/55/48/1066735548.db2.gz QRPJVCGIELFGDA-MCZUBNKPSA-N 0 0 698.129 4.746 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(I)c1 ZINC000408955783 1066735506 /nfs/dbraw/zinc/73/55/06/1066735506.db2.gz QTIBDEUCLINNGE-DKSJDMEUSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(I)c1 ZINC000408955785 1066289269 /nfs/dbraw/zinc/28/92/69/1066289269.db2.gz QTIBDEUCLINNGE-LDUKCRMWSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(I)c1 ZINC000408955787 1066289599 /nfs/dbraw/zinc/28/95/99/1066289599.db2.gz QTIBDEUCLINNGE-NRQVMXLESA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2C#N)c(I)c1 ZINC000408955788 1066735653 /nfs/dbraw/zinc/73/56/53/1066735653.db2.gz QTIBDEUCLINNGE-UKAYIBCOSA-N 0 0 851.436 4.867 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408955813 1066289284 /nfs/dbraw/zinc/28/92/84/1066289284.db2.gz QVWJAMVYFAMVIS-CFXZTRMJSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408955815 1066735513 /nfs/dbraw/zinc/73/55/13/1066735513.db2.gz QVWJAMVYFAMVIS-JEUQEEEISA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408955818 1066289519 /nfs/dbraw/zinc/28/95/19/1066289519.db2.gz QVWJAMVYFAMVIS-KKVRIENKSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408955821 1066289301 /nfs/dbraw/zinc/28/93/01/1066289301.db2.gz QVWJAMVYFAMVIS-RMTYXQARSA-N 0 0 671.520 4.688 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OCC)c1 ZINC000408955896 1066735077 /nfs/dbraw/zinc/73/50/77/1066735077.db2.gz QZBDBVOXPAWCGU-FLVCQPMSSA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OCC)c1 ZINC000408955899 1066735585 /nfs/dbraw/zinc/73/55/85/1066735585.db2.gz QZBDBVOXPAWCGU-FNTKOXOASA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OCC)c1 ZINC000408955902 1066735460 /nfs/dbraw/zinc/73/54/60/1066735460.db2.gz QZBDBVOXPAWCGU-JKFHCYMESA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OCC)c1 ZINC000408955905 1066735488 /nfs/dbraw/zinc/73/54/88/1066735488.db2.gz QZBDBVOXPAWCGU-OCAWQVEHSA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc3ccccc32)c1C ZINC000408956323 1066734735 /nfs/dbraw/zinc/73/47/35/1066734735.db2.gz REAFXTFIHGKNQQ-COGPIWQNSA-N 0 0 611.699 4.768 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc3ccccc32)c1C ZINC000408956325 1066734646 /nfs/dbraw/zinc/73/46/46/1066734646.db2.gz REAFXTFIHGKNQQ-FCBIFXJOSA-N 0 0 611.699 4.768 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc3ccccc32)c1C ZINC000408956327 1066735108 /nfs/dbraw/zinc/73/51/08/1066735108.db2.gz REAFXTFIHGKNQQ-IOGMQTGMSA-N 0 0 611.699 4.768 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc3ccccc32)c1C ZINC000408956330 1066289586 /nfs/dbraw/zinc/28/95/86/1066289586.db2.gz REAFXTFIHGKNQQ-JIPNOAAYSA-N 0 0 611.699 4.768 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(Cc2ccccc2)c2ccccc12 ZINC000408956345 1066735174 /nfs/dbraw/zinc/73/51/74/1066735174.db2.gz RFQGNIWCDHDGMY-COGPIWQNSA-N 0 0 611.699 4.519 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(Cc2ccccc2)c2ccccc12 ZINC000408956346 1066735141 /nfs/dbraw/zinc/73/51/41/1066735141.db2.gz RFQGNIWCDHDGMY-FCBIFXJOSA-N 0 0 611.699 4.519 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(Cc2ccccc2)c2ccccc12 ZINC000408956347 1066735082 /nfs/dbraw/zinc/73/50/82/1066735082.db2.gz RFQGNIWCDHDGMY-IOGMQTGMSA-N 0 0 611.699 4.519 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(Cc2ccccc2)c2ccccc12 ZINC000408956348 1066735187 /nfs/dbraw/zinc/73/51/87/1066735187.db2.gz RFQGNIWCDHDGMY-JIPNOAAYSA-N 0 0 611.699 4.519 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000408956368 1066735090 /nfs/dbraw/zinc/73/50/90/1066735090.db2.gz RITFTYQWNQOFSI-BQWLSSAGSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000408956370 1066289313 /nfs/dbraw/zinc/28/93/13/1066289313.db2.gz RITFTYQWNQOFSI-CBSHNWSOSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000408956372 1066735071 /nfs/dbraw/zinc/73/50/71/1066735071.db2.gz RITFTYQWNQOFSI-NGKRXKQJSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000408956374 1066735149 /nfs/dbraw/zinc/73/51/49/1066735149.db2.gz RITFTYQWNQOFSI-XLHOQBSHSA-N 0 0 632.117 4.864 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408956375 1066735087 /nfs/dbraw/zinc/73/50/87/1066735087.db2.gz RIUXPXSUFOTXOE-KKAIHFHCSA-N 0 0 697.141 4.567 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408956377 1066735180 /nfs/dbraw/zinc/73/51/80/1066735180.db2.gz RIUXPXSUFOTXOE-KOPRMHSSSA-N 0 0 697.141 4.567 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408956379 1066735152 /nfs/dbraw/zinc/73/51/52/1066735152.db2.gz RIUXPXSUFOTXOE-LQFPVQSQSA-N 0 0 697.141 4.567 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(OCC)c1 ZINC000408956381 1066735130 /nfs/dbraw/zinc/73/51/30/1066735130.db2.gz RIUXPXSUFOTXOE-QNIXPLDZSA-N 0 0 697.141 4.567 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000408956408 1066734676 /nfs/dbraw/zinc/73/46/76/1066734676.db2.gz RKSZVBVKHPQOCK-DTOFOBAQSA-N 0 0 716.517 4.596 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000408956410 1066290100 /nfs/dbraw/zinc/29/01/00/1066290100.db2.gz RKSZVBVKHPQOCK-LZKPAXCFSA-N 0 0 716.517 4.596 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000408956412 1066734708 /nfs/dbraw/zinc/73/47/08/1066734708.db2.gz RKSZVBVKHPQOCK-MOGAVHOMSA-N 0 0 716.517 4.596 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000408956413 1066734791 /nfs/dbraw/zinc/73/47/91/1066734791.db2.gz RKSZVBVKHPQOCK-WGVCRUSUSA-N 0 0 716.517 4.596 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1F ZINC000408956614 1066734741 /nfs/dbraw/zinc/73/47/41/1066734741.db2.gz ROORESZCYWEQOH-KAXZEMDMSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1F ZINC000408956615 1066734660 /nfs/dbraw/zinc/73/46/60/1066734660.db2.gz ROORESZCYWEQOH-MLRYTHHKSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1F ZINC000408956616 1066734717 /nfs/dbraw/zinc/73/47/17/1066734717.db2.gz ROORESZCYWEQOH-PIWJFTSUSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1F ZINC000408956617 1066289993 /nfs/dbraw/zinc/28/99/93/1066289993.db2.gz ROORESZCYWEQOH-XOBQIWCOSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000408956733 1066734246 /nfs/dbraw/zinc/73/42/46/1066734246.db2.gz RRKDZBUOQMYOLD-DPRDKXMKSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000408956737 1066734161 /nfs/dbraw/zinc/73/41/61/1066734161.db2.gz RRKDZBUOQMYOLD-QQSWJJLXSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000408956740 1066734151 /nfs/dbraw/zinc/73/41/51/1066734151.db2.gz RRKDZBUOQMYOLD-SPTQHHDASA-N 0 0 683.556 4.557 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c1 ZINC000408956743 1066734216 /nfs/dbraw/zinc/73/42/16/1066734216.db2.gz ZNGJKRQBUUTCBX-CBYYHRJHSA-N 0 0 583.504 4.523 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000408956744 1066734238 /nfs/dbraw/zinc/73/42/38/1066734238.db2.gz RRKDZBUOQMYOLD-VWKYXUFQSA-N 0 0 683.556 4.557 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c1 ZINC000408956747 1066734725 /nfs/dbraw/zinc/73/47/25/1066734725.db2.gz ZNGJKRQBUUTCBX-PNZYDNNZSA-N 0 0 583.504 4.523 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1Br ZINC000408957014 1066734222 /nfs/dbraw/zinc/73/42/22/1066734222.db2.gz RZTZPGQCWRHQDO-CBXWFWILSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1Br ZINC000408957017 1066734168 /nfs/dbraw/zinc/73/41/68/1066734168.db2.gz RZTZPGQCWRHQDO-MCOUPYJHSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1Br ZINC000408957020 1066734299 /nfs/dbraw/zinc/73/42/99/1066734299.db2.gz RZTZPGQCWRHQDO-UVTRAYBSSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1Br ZINC000408957022 1066734204 /nfs/dbraw/zinc/73/42/04/1066734204.db2.gz RZTZPGQCWRHQDO-VLHNTZRTSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1Cl ZINC000408957146 1066289830 /nfs/dbraw/zinc/28/98/30/1066289830.db2.gz SIWAPHMPPQCJGA-PJEGCRLUSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1Cl ZINC000408957147 1066734267 /nfs/dbraw/zinc/73/42/67/1066734267.db2.gz SIWAPHMPPQCJGA-POTNBDKBSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1Cl ZINC000408957148 1066734227 /nfs/dbraw/zinc/73/42/27/1066734227.db2.gz SIWAPHMPPQCJGA-RSKXLVJXSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccccc1Cl ZINC000408957149 1066734331 /nfs/dbraw/zinc/73/43/31/1066734331.db2.gz SIWAPHMPPQCJGA-XQFWEPFESA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(Cc2ccc(F)cc2)c2ccccc12 ZINC000408957292 1066743349 /nfs/dbraw/zinc/74/33/49/1066743349.db2.gz SQCGMETWUJWGTO-IRGRXUBOSA-N 0 0 629.689 4.658 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(Cc2ccc(F)cc2)c2ccccc12 ZINC000408957294 1066743536 /nfs/dbraw/zinc/74/35/36/1066743536.db2.gz SQCGMETWUJWGTO-QBDTUBIFSA-N 0 0 629.689 4.658 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(Cc2ccc(F)cc2)c2ccccc12 ZINC000408957296 1066743376 /nfs/dbraw/zinc/74/33/76/1066743376.db2.gz SQCGMETWUJWGTO-UAJVVIKVSA-N 0 0 629.689 4.658 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(Cc2ccc(F)cc2)c2ccccc12 ZINC000408957299 1066743465 /nfs/dbraw/zinc/74/34/65/1066743465.db2.gz SQCGMETWUJWGTO-XHCLQVDRSA-N 0 0 629.689 4.658 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(OC)c1 ZINC000408957592 1066742609 /nfs/dbraw/zinc/74/26/09/1066742609.db2.gz TZGNWESHCWIJGJ-MRWDSPLUSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(OC)c1 ZINC000408957594 1066742560 /nfs/dbraw/zinc/74/25/60/1066742560.db2.gz TZGNWESHCWIJGJ-NHXTXDHDSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(OC)c1 ZINC000408957597 1066742522 /nfs/dbraw/zinc/74/25/22/1066742522.db2.gz TZGNWESHCWIJGJ-PFRZIKJPSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(OC)c1 ZINC000408957599 1066742533 /nfs/dbraw/zinc/74/25/33/1066742533.db2.gz TZGNWESHCWIJGJ-XTYBILLZSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000408957601 1066742575 /nfs/dbraw/zinc/74/25/75/1066742575.db2.gz TZNYIGNXENBDBZ-CFXZTRMJSA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000408957603 1066742536 /nfs/dbraw/zinc/74/25/36/1066742536.db2.gz TZNYIGNXENBDBZ-JEUQEEEISA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000408957605 1066742973 /nfs/dbraw/zinc/74/29/73/1066742973.db2.gz TZNYIGNXENBDBZ-KKVRIENKSA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000408957607 1066742959 /nfs/dbraw/zinc/74/29/59/1066742959.db2.gz TZNYIGNXENBDBZ-RMTYXQARSA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408957669 1066742946 /nfs/dbraw/zinc/74/29/46/1066742946.db2.gz UDCXZQOJFRZSAV-IUXVCIAQSA-N 0 0 742.580 4.856 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408957671 1066743005 /nfs/dbraw/zinc/74/30/05/1066743005.db2.gz UDCXZQOJFRZSAV-JOTBEHJOSA-N 0 0 742.580 4.856 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408957672 1066742967 /nfs/dbraw/zinc/74/29/67/1066742967.db2.gz UDCXZQOJFRZSAV-KOMPRGEESA-N 0 0 742.580 4.856 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408957675 1066742986 /nfs/dbraw/zinc/74/29/86/1066742986.db2.gz UDCXZQOJFRZSAV-MCZUBNKPSA-N 0 0 742.580 4.856 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccc(F)cc1 ZINC000408957693 1066742914 /nfs/dbraw/zinc/74/29/14/1066742914.db2.gz UDUJGUCKLZTCOG-AZZTWFMMSA-N 0 0 662.715 4.662 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccc(F)cc1 ZINC000408957695 1066743001 /nfs/dbraw/zinc/74/30/01/1066743001.db2.gz UDUJGUCKLZTCOG-LTWPRMGGSA-N 0 0 662.715 4.662 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccc(F)cc1 ZINC000408957697 1066742889 /nfs/dbraw/zinc/74/28/89/1066742889.db2.gz UDUJGUCKLZTCOG-SCYVRRQNSA-N 0 0 662.715 4.662 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccc(F)cc1 ZINC000408957699 1066742910 /nfs/dbraw/zinc/74/29/10/1066742910.db2.gz UDUJGUCKLZTCOG-XPLBROKISA-N 0 0 662.715 4.662 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408957701 1066742995 /nfs/dbraw/zinc/74/29/95/1066742995.db2.gz UDUOPXOTJXKUCC-DEESYGRUSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408957703 1066742878 /nfs/dbraw/zinc/74/28/78/1066742878.db2.gz UDUOPXOTJXKUCC-MZMJXSTFSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408957705 1066289809 /nfs/dbraw/zinc/28/98/09/1066289809.db2.gz UDUOPXOTJXKUCC-PZTKYJRTSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408957707 1066742922 /nfs/dbraw/zinc/74/29/22/1066742922.db2.gz UDUOPXOTJXKUCC-STZNVWQGSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OCC)c1 ZINC000408957733 1066289975 /nfs/dbraw/zinc/28/99/75/1066289975.db2.gz UESALACAWYQMLJ-FLVCQPMSSA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OCC)c1 ZINC000408957735 1066742509 /nfs/dbraw/zinc/74/25/09/1066742509.db2.gz UESALACAWYQMLJ-FNTKOXOASA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OCC)c1 ZINC000408957736 1066742526 /nfs/dbraw/zinc/74/25/26/1066742526.db2.gz UESALACAWYQMLJ-JKFHCYMESA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OCC)c1 ZINC000408957737 1066742594 /nfs/dbraw/zinc/74/25/94/1066742594.db2.gz UESALACAWYQMLJ-OCAWQVEHSA-N 0 0 762.573 4.929 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(Cl)cc1 ZINC000408957828 1066742579 /nfs/dbraw/zinc/74/25/79/1066742579.db2.gz UIQRVKFXQFXGCK-PJEGCRLUSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(Cl)cc1 ZINC000408957830 1066742514 /nfs/dbraw/zinc/74/25/14/1066742514.db2.gz UIQRVKFXQFXGCK-POTNBDKBSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(Cl)cc1 ZINC000408957832 1066742589 /nfs/dbraw/zinc/74/25/89/1066742589.db2.gz UIQRVKFXQFXGCK-RSKXLVJXSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(Cl)cc1 ZINC000408957834 1066742551 /nfs/dbraw/zinc/74/25/51/1066742551.db2.gz UIQRVKFXQFXGCK-XQFWEPFESA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1cccc(Cl)c1 ZINC000408957856 1066742605 /nfs/dbraw/zinc/74/26/05/1066742605.db2.gz UKFWGOBGRBAPJO-OVQDWMBRSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1cccc(Cl)c1 ZINC000408957858 1066742565 /nfs/dbraw/zinc/74/25/65/1066742565.db2.gz UKFWGOBGRBAPJO-PMLJROQNSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1cccc(Cl)c1 ZINC000408957860 1066742568 /nfs/dbraw/zinc/74/25/68/1066742568.db2.gz UKFWGOBGRBAPJO-PQRROIADSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1cccc(Cl)c1 ZINC000408957863 1066289927 /nfs/dbraw/zinc/28/99/27/1066289927.db2.gz UKFWGOBGRBAPJO-UPKSDUNHSA-N 0 0 653.132 4.838 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408957892 1066742542 /nfs/dbraw/zinc/74/25/42/1066742542.db2.gz ULJITKUXNOAHOJ-DEESYGRUSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408957893 1066289894 /nfs/dbraw/zinc/28/98/94/1066289894.db2.gz ULJITKUXNOAHOJ-MZMJXSTFSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408957894 1066742585 /nfs/dbraw/zinc/74/25/85/1066742585.db2.gz ULJITKUXNOAHOJ-PZTKYJRTSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000408957895 1066742555 /nfs/dbraw/zinc/74/25/55/1066742555.db2.gz ULJITKUXNOAHOJ-STZNVWQGSA-N 0 0 657.095 4.587 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408958259 1066742069 /nfs/dbraw/zinc/74/20/69/1066742069.db2.gz VJUSZWQBHUCWTB-MASMTZKFSA-N 0 0 789.580 4.698 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408958260 1066742112 /nfs/dbraw/zinc/74/21/12/1066742112.db2.gz VJUSZWQBHUCWTB-NJJIWPJDSA-N 0 0 789.580 4.698 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408958261 1066742061 /nfs/dbraw/zinc/74/20/61/1066742061.db2.gz VJUSZWQBHUCWTB-UJAGWRAFSA-N 0 0 789.580 4.698 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 ZINC000408958262 1066742105 /nfs/dbraw/zinc/74/21/05/1066742105.db2.gz VJUSZWQBHUCWTB-XTOVWCNTSA-N 0 0 789.580 4.698 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408958313 1066742153 /nfs/dbraw/zinc/74/21/53/1066742153.db2.gz VNGJEILYUUCQOO-PLQXQRLBSA-N 0 0 737.410 4.583 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408958314 1066290062 /nfs/dbraw/zinc/29/00/62/1066290062.db2.gz VNGJEILYUUCQOO-VVNKCDPRSA-N 0 0 737.410 4.583 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000408958325 1066742142 /nfs/dbraw/zinc/74/21/42/1066742142.db2.gz VSRCRKJSXUTIMV-BQWLSSAGSA-N 0 0 676.568 4.973 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000408958326 1066290076 /nfs/dbraw/zinc/29/00/76/1066290076.db2.gz VSRCRKJSXUTIMV-CBSHNWSOSA-N 0 0 676.568 4.973 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000408958327 1066742083 /nfs/dbraw/zinc/74/20/83/1066742083.db2.gz VSRCRKJSXUTIMV-NGKRXKQJSA-N 0 0 676.568 4.973 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000408958328 1066742121 /nfs/dbraw/zinc/74/21/21/1066742121.db2.gz VSRCRKJSXUTIMV-XLHOQBSHSA-N 0 0 676.568 4.973 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408958515 1066742162 /nfs/dbraw/zinc/74/21/62/1066742162.db2.gz WCNGTQKYPAWIBH-IUXVCIAQSA-N 0 0 653.132 4.757 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408958516 1066742127 /nfs/dbraw/zinc/74/21/27/1066742127.db2.gz WCNGTQKYPAWIBH-JOTBEHJOSA-N 0 0 653.132 4.757 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408958517 1066742074 /nfs/dbraw/zinc/74/20/74/1066742074.db2.gz WCNGTQKYPAWIBH-KOMPRGEESA-N 0 0 653.132 4.757 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000408958518 1066742203 /nfs/dbraw/zinc/74/22/03/1066742203.db2.gz WCNGTQKYPAWIBH-MCZUBNKPSA-N 0 0 653.132 4.757 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCc2ccc(C#N)cc2)ccc2ccccc21 ZINC000408958670 1066742047 /nfs/dbraw/zinc/74/20/47/1066742047.db2.gz WIANMDYSHFTACH-DERCLOOTSA-N 0 0 649.704 4.811 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCc2ccc(C#N)cc2)ccc2ccccc21 ZINC000408958671 1066742133 /nfs/dbraw/zinc/74/21/33/1066742133.db2.gz WIANMDYSHFTACH-IAKKDRQZSA-N 0 0 649.704 4.811 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCc2ccc(C#N)cc2)ccc2ccccc21 ZINC000408958672 1066288245 /nfs/dbraw/zinc/28/82/45/1066288245.db2.gz WIANMDYSHFTACH-QWSDIWATSA-N 0 0 649.704 4.811 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCc2ccc(C#N)cc2)ccc2ccccc21 ZINC000408958673 1066742099 /nfs/dbraw/zinc/74/20/99/1066742099.db2.gz WIANMDYSHFTACH-VHJDWIEHSA-N 0 0 649.704 4.811 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1 ZINC000408958766 1066738326 /nfs/dbraw/zinc/73/83/26/1066738326.db2.gz WRIJVUSWRVCQRY-FLVCQPMSSA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1 ZINC000408958767 1066738392 /nfs/dbraw/zinc/73/83/92/1066738392.db2.gz WRIJVUSWRVCQRY-FNTKOXOASA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1 ZINC000408958768 1066738246 /nfs/dbraw/zinc/73/82/46/1066738246.db2.gz WRIJVUSWRVCQRY-JKFHCYMESA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1 ZINC000408958769 1066738921 /nfs/dbraw/zinc/73/89/21/1066738921.db2.gz WRIJVUSWRVCQRY-OCAWQVEHSA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000408958780 1066738890 /nfs/dbraw/zinc/73/88/90/1066738890.db2.gz WSQOPKJZGSIQGU-FFMSWPIDSA-N 0 0 684.382 4.519 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000408958781 1066288300 /nfs/dbraw/zinc/28/83/00/1066288300.db2.gz WSQOPKJZGSIQGU-NZIXWJBMSA-N 0 0 684.382 4.519 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000408958782 1066738704 /nfs/dbraw/zinc/73/87/04/1066738704.db2.gz WSQOPKJZGSIQGU-OMYHWCJESA-N 0 0 684.382 4.519 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000408958783 1066288358 /nfs/dbraw/zinc/28/83/58/1066288358.db2.gz WSQOPKJZGSIQGU-PJTJEKGNSA-N 0 0 684.382 4.519 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c2ccccc2cc2ccccc21 ZINC000408958802 1066738912 /nfs/dbraw/zinc/73/89/12/1066738912.db2.gz WUGPMJCZADGACW-JDLHPZNBSA-N 0 0 568.630 4.514 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c2ccccc2cc2ccccc21 ZINC000408958803 1066738729 /nfs/dbraw/zinc/73/87/29/1066738729.db2.gz WUGPMJCZADGACW-LMLLFRCQSA-N 0 0 568.630 4.514 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c2ccccc2cc2ccccc21 ZINC000408958804 1066288319 /nfs/dbraw/zinc/28/83/19/1066288319.db2.gz WUGPMJCZADGACW-LXGKMXDOSA-N 0 0 568.630 4.514 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c2ccccc2cc2ccccc21 ZINC000408958805 1066288388 /nfs/dbraw/zinc/28/83/88/1066288388.db2.gz WUGPMJCZADGACW-NZWWBEKWSA-N 0 0 568.630 4.514 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408958842 1066738332 /nfs/dbraw/zinc/73/83/32/1066738332.db2.gz XALYIEOLRHYENB-CECCWNFLSA-N 0 0 647.910 4.883 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408958843 1066738398 /nfs/dbraw/zinc/73/83/98/1066738398.db2.gz XALYIEOLRHYENB-IXENOIEWSA-N 0 0 647.910 4.883 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408958844 1066288377 /nfs/dbraw/zinc/28/83/77/1066288377.db2.gz XALYIEOLRHYENB-PKURCWAJSA-N 0 0 647.910 4.883 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408958845 1066738296 /nfs/dbraw/zinc/73/82/96/1066738296.db2.gz XALYIEOLRHYENB-VGPIUYNASA-N 0 0 647.910 4.883 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408958890 1066741088 /nfs/dbraw/zinc/74/10/88/1066741088.db2.gz XGNJYMZTOMHCOM-CYWQULDYSA-N 0 0 870.435 4.724 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408958891 1066741155 /nfs/dbraw/zinc/74/11/55/1066741155.db2.gz XGNJYMZTOMHCOM-HQXKZIQUSA-N 0 0 870.435 4.724 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408958892 1066288369 /nfs/dbraw/zinc/28/83/69/1066288369.db2.gz XGNJYMZTOMHCOM-LEVKBLFJSA-N 0 0 870.435 4.724 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408958893 1066741036 /nfs/dbraw/zinc/74/10/36/1066741036.db2.gz XGNJYMZTOMHCOM-LFYAHHGPSA-N 0 0 870.435 4.724 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000408958896 1066741201 /nfs/dbraw/zinc/74/12/01/1066741201.db2.gz XHCCCBBPTSQVKQ-CBXWFWILSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000408958897 1066288324 /nfs/dbraw/zinc/28/83/24/1066288324.db2.gz XHCCCBBPTSQVKQ-MCOUPYJHSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000408958898 1066741098 /nfs/dbraw/zinc/74/10/98/1066741098.db2.gz XHCCCBBPTSQVKQ-UVTRAYBSSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000408958899 1066288221 /nfs/dbraw/zinc/28/82/21/1066288221.db2.gz XHCCCBBPTSQVKQ-VLHNTZRTSA-N 0 0 683.556 4.557 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2cccc(C)c2)cc1Br ZINC000408958928 1066741064 /nfs/dbraw/zinc/74/10/64/1066741064.db2.gz XJPMTNDRXXTEHS-DOHLSTTDSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2cccc(C)c2)cc1Br ZINC000408958929 1066741189 /nfs/dbraw/zinc/74/11/89/1066741189.db2.gz XJPMTNDRXXTEHS-JJUCPSHKSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2cccc(C)c2)cc1Br ZINC000408958930 1066288781 /nfs/dbraw/zinc/28/87/81/1066288781.db2.gz XJPMTNDRXXTEHS-RXAGHVTQSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2cccc(C)c2)cc1Br ZINC000408958931 1066741595 /nfs/dbraw/zinc/74/15/95/1066741595.db2.gz XJPMTNDRXXTEHS-VEFLAUPGSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000408958962 1066288722 /nfs/dbraw/zinc/28/87/22/1066288722.db2.gz XPOXPKAERJXFSF-FLVCQPMSSA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000408958963 1066741611 /nfs/dbraw/zinc/74/16/11/1066741611.db2.gz XPOXPKAERJXFSF-FNTKOXOASA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000408958964 1066288873 /nfs/dbraw/zinc/28/88/73/1066288873.db2.gz XPOXPKAERJXFSF-JKFHCYMESA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000408958965 1066741697 /nfs/dbraw/zinc/74/16/97/1066741697.db2.gz XPOXPKAERJXFSF-OCAWQVEHSA-N 0 0 671.122 4.977 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408958966 1066741650 /nfs/dbraw/zinc/74/16/50/1066741650.db2.gz XPUISJMONSZZLS-AFPWNFEBSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408958967 1066741572 /nfs/dbraw/zinc/74/15/72/1066741572.db2.gz XPUISJMONSZZLS-IHWMPTITSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408958968 1066741711 /nfs/dbraw/zinc/74/17/11/1066741711.db2.gz XPUISJMONSZZLS-OFWLHAAJSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408958969 1066741603 /nfs/dbraw/zinc/74/16/03/1066741603.db2.gz XPUISJMONSZZLS-YSIUDXQCSA-N 0 0 603.459 4.774 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1 ZINC000408958982 1066741640 /nfs/dbraw/zinc/74/16/40/1066741640.db2.gz XRBKCQYWYOCILA-BSIOPWIUSA-N 0 0 820.550 4.819 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1 ZINC000408958983 1066741577 /nfs/dbraw/zinc/74/15/77/1066741577.db2.gz XRBKCQYWYOCILA-JRBXKIDESA-N 0 0 820.550 4.819 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1 ZINC000408958984 1066741559 /nfs/dbraw/zinc/74/15/59/1066741559.db2.gz XRBKCQYWYOCILA-QBJCGTOJSA-N 0 0 820.550 4.819 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC)c1 ZINC000408958985 1066741669 /nfs/dbraw/zinc/74/16/69/1066741669.db2.gz XRBKCQYWYOCILA-YRMQJCIVSA-N 0 0 820.550 4.819 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408959006 1066741680 /nfs/dbraw/zinc/74/16/80/1066741680.db2.gz XVYWLMGLYBLHSG-DEESYGRUSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408959007 1066741551 /nfs/dbraw/zinc/74/15/51/1066741551.db2.gz XVYWLMGLYBLHSG-MZMJXSTFSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408959008 1066741689 /nfs/dbraw/zinc/74/16/89/1066741689.db2.gz XVYWLMGLYBLHSG-PZTKYJRTSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(OC)c1 ZINC000408959009 1066741618 /nfs/dbraw/zinc/74/16/18/1066741618.db2.gz XVYWLMGLYBLHSG-STZNVWQGSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccccc2F)cc1Br ZINC000408959018 1066741628 /nfs/dbraw/zinc/74/16/28/1066741628.db2.gz XYAYWHBYMHQSSE-HPESDRNWSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccccc2F)cc1Br ZINC000408959019 1066741565 /nfs/dbraw/zinc/74/15/65/1066741565.db2.gz XYAYWHBYMHQSSE-JQHASYOZSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccccc2F)cc1Br ZINC000408959020 1066741659 /nfs/dbraw/zinc/74/16/59/1066741659.db2.gz XYAYWHBYMHQSSE-WQFMICPTSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccccc2F)cc1Br ZINC000408959021 1066741586 /nfs/dbraw/zinc/74/15/86/1066741586.db2.gz XYAYWHBYMHQSSE-ZZPIOTAZSA-N 0 0 701.546 4.696 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1cccc2ccccc21 ZINC000408959024 1066741723 /nfs/dbraw/zinc/74/17/23/1066741723.db2.gz YACDSTLGHOBFFB-ADWGPZAHSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1cccc2ccccc21 ZINC000408959025 1066742185 /nfs/dbraw/zinc/74/21/85/1066742185.db2.gz YACDSTLGHOBFFB-AJAREPQGSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1cccc2ccccc21 ZINC000408959026 1066288925 /nfs/dbraw/zinc/28/89/25/1066288925.db2.gz YACDSTLGHOBFFB-DXOXIEHISA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1cccc2ccccc21 ZINC000408959027 1066288802 /nfs/dbraw/zinc/28/88/02/1066288802.db2.gz YACDSTLGHOBFFB-JKXJCMIHSA-N 0 0 654.720 4.948 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(Br)cc1OCc1ccccc1 ZINC000408959038 1066740748 /nfs/dbraw/zinc/74/07/48/1066740748.db2.gz YBYCUYDQOJPJIJ-PJEGCRLUSA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(Br)cc1OCc1ccccc1 ZINC000408959039 1066740675 /nfs/dbraw/zinc/74/06/75/1066740675.db2.gz YBYCUYDQOJPJIJ-POTNBDKBSA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(Br)cc1OCc1ccccc1 ZINC000408959040 1066740647 /nfs/dbraw/zinc/74/06/47/1066740647.db2.gz YBYCUYDQOJPJIJ-RSKXLVJXSA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c(Br)cc1OCc1ccccc1 ZINC000408959041 1066740739 /nfs/dbraw/zinc/74/07/39/1066740739.db2.gz YBYCUYDQOJPJIJ-XQFWEPFESA-N 0 0 697.583 4.947 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCc2ccccc2C#N)ccc2ccccc21 ZINC000408959054 1066740663 /nfs/dbraw/zinc/74/06/63/1066740663.db2.gz YDVBBPZMXQCKOG-DERCLOOTSA-N 0 0 649.704 4.811 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCc2ccccc2C#N)ccc2ccccc21 ZINC000408959055 1066288828 /nfs/dbraw/zinc/28/88/28/1066288828.db2.gz YDVBBPZMXQCKOG-IAKKDRQZSA-N 0 0 649.704 4.811 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCc2ccccc2C#N)ccc2ccccc21 ZINC000408959056 1066288943 /nfs/dbraw/zinc/28/89/43/1066288943.db2.gz YDVBBPZMXQCKOG-QWSDIWATSA-N 0 0 649.704 4.811 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCc2ccccc2C#N)ccc2ccccc21 ZINC000408959057 1066740703 /nfs/dbraw/zinc/74/07/03/1066740703.db2.gz YDVBBPZMXQCKOG-VHJDWIEHSA-N 0 0 649.704 4.811 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408959068 1066288793 /nfs/dbraw/zinc/28/87/93/1066288793.db2.gz YEYMRTAZAANHLM-DPHROHOHSA-N 0 0 722.593 4.819 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408959069 1066740762 /nfs/dbraw/zinc/74/07/62/1066740762.db2.gz YEYMRTAZAANHLM-HJJWUPHOSA-N 0 0 722.593 4.819 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408959070 1066740758 /nfs/dbraw/zinc/74/07/58/1066740758.db2.gz YEYMRTAZAANHLM-NWXABMEUSA-N 0 0 722.593 4.819 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccccc2C#N)c(OCC)c1 ZINC000408959071 1066740671 /nfs/dbraw/zinc/74/06/71/1066740671.db2.gz YEYMRTAZAANHLM-QRQPCBDQSA-N 0 0 722.593 4.819 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OC)c1 ZINC000408959072 1066740630 /nfs/dbraw/zinc/74/06/30/1066740630.db2.gz YFBHWSYHAZDFIN-DEESYGRUSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OC)c1 ZINC000408959073 1066740731 /nfs/dbraw/zinc/74/07/31/1066740731.db2.gz YFBHWSYHAZDFIN-MZMJXSTFSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OC)c1 ZINC000408959074 1066288906 /nfs/dbraw/zinc/28/89/06/1066288906.db2.gz YFBHWSYHAZDFIN-PZTKYJRTSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2F)c(OC)c1 ZINC000408959075 1066740656 /nfs/dbraw/zinc/74/06/56/1066740656.db2.gz YFBHWSYHAZDFIN-STZNVWQGSA-N 0 0 748.546 4.538 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408959076 1066740696 /nfs/dbraw/zinc/74/06/96/1066740696.db2.gz YFCQSEHGJVKPSW-DTOFOBAQSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408959077 1066740753 /nfs/dbraw/zinc/74/07/53/1066740753.db2.gz YFCQSEHGJVKPSW-LZKPAXCFSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408959078 1066740639 /nfs/dbraw/zinc/74/06/39/1066740639.db2.gz YFCQSEHGJVKPSW-MOGAVHOMSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408959079 1066740720 /nfs/dbraw/zinc/74/07/20/1066740720.db2.gz YFCQSEHGJVKPSW-WGVCRUSUSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(Cc2ccccc2F)c2ccccc12 ZINC000408959096 1066288747 /nfs/dbraw/zinc/28/87/47/1066288747.db2.gz YGRGQNLPYRCQQV-IRGRXUBOSA-N 0 0 629.689 4.658 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(Cc2ccccc2F)c2ccccc12 ZINC000408959097 1066740726 /nfs/dbraw/zinc/74/07/26/1066740726.db2.gz YGRGQNLPYRCQQV-QBDTUBIFSA-N 0 0 629.689 4.658 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(Cc2ccccc2F)c2ccccc12 ZINC000408959098 1066740685 /nfs/dbraw/zinc/74/06/85/1066740685.db2.gz YGRGQNLPYRCQQV-UAJVVIKVSA-N 0 0 629.689 4.658 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(Cc2ccccc2F)c2ccccc12 ZINC000408959099 1066741053 /nfs/dbraw/zinc/74/10/53/1066741053.db2.gz YGRGQNLPYRCQQV-XHCLQVDRSA-N 0 0 629.689 4.658 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(I)cc1 ZINC000408959122 1066741028 /nfs/dbraw/zinc/74/10/28/1066741028.db2.gz YJPJGFNKFNEBSE-PJEGCRLUSA-N 0 0 744.583 4.789 40 30 KJEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(I)cc1 ZINC000408959123 1066741106 /nfs/dbraw/zinc/74/11/06/1066741106.db2.gz YJPJGFNKFNEBSE-POTNBDKBSA-N 0 0 744.583 4.789 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(I)cc1 ZINC000408959124 1066288713 /nfs/dbraw/zinc/28/87/13/1066288713.db2.gz YJPJGFNKFNEBSE-RSKXLVJXSA-N 0 0 744.583 4.789 40 30 KJEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc(I)cc1 ZINC000408959125 1066288859 /nfs/dbraw/zinc/28/88/59/1066288859.db2.gz YJPJGFNKFNEBSE-XQFWEPFESA-N 0 0 744.583 4.789 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408959136 1066288889 /nfs/dbraw/zinc/28/88/89/1066288889.db2.gz YLXUCCGEAFBHKS-DWWBMQJSSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408959137 1066288695 /nfs/dbraw/zinc/28/86/95/1066288695.db2.gz YLXUCCGEAFBHKS-IMXHJNEVSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408959138 1066741079 /nfs/dbraw/zinc/74/10/79/1066741079.db2.gz YLXUCCGEAFBHKS-KLTFURLCSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408959139 1066741145 /nfs/dbraw/zinc/74/11/45/1066741145.db2.gz YLXUCCGEAFBHKS-VMDHKMKVSA-N 0 0 871.423 4.904 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408959156 1066741073 /nfs/dbraw/zinc/74/10/73/1066741073.db2.gz YNPNLXXTXNZEPV-IUXVCIAQSA-N 0 0 698.129 4.746 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408959157 1066741164 /nfs/dbraw/zinc/74/11/64/1066741164.db2.gz YNPNLXXTXNZEPV-JOTBEHJOSA-N 0 0 698.129 4.746 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408959158 1066741016 /nfs/dbraw/zinc/74/10/16/1066741016.db2.gz YNPNLXXTXNZEPV-KOMPRGEESA-N 0 0 698.129 4.746 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408959159 1066741127 /nfs/dbraw/zinc/74/11/27/1066741127.db2.gz YNPNLXXTXNZEPV-MCZUBNKPSA-N 0 0 698.129 4.746 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408959184 1066737860 /nfs/dbraw/zinc/73/78/60/1066737860.db2.gz YQTIFNVVOHKLHD-FITGMVBTSA-N 0 0 669.691 4.848 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408959185 1066737930 /nfs/dbraw/zinc/73/79/30/1066737930.db2.gz YQTIFNVVOHKLHD-QAEUJPCCSA-N 0 0 669.691 4.848 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408959186 1066738353 /nfs/dbraw/zinc/73/83/53/1066738353.db2.gz YQTIFNVVOHKLHD-SYPGRHFVSA-N 0 0 669.691 4.848 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408959187 1066738289 /nfs/dbraw/zinc/73/82/89/1066738289.db2.gz YQTIFNVVOHKLHD-YVTLXILBSA-N 0 0 669.691 4.848 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccccc1 ZINC000408959196 1066738385 /nfs/dbraw/zinc/73/83/85/1066738385.db2.gz YSAGEQLGUMDLSN-BGNAGOCASA-N 0 0 644.725 4.523 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccccc1 ZINC000408959197 1066738313 /nfs/dbraw/zinc/73/83/13/1066738313.db2.gz YSAGEQLGUMDLSN-NCFRHEKYSA-N 0 0 644.725 4.523 40 30 KJEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccccc1 ZINC000408959198 1066738366 /nfs/dbraw/zinc/73/83/66/1066738366.db2.gz YSAGEQLGUMDLSN-NOQHEXGRSA-N 0 0 644.725 4.523 40 30 KJEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OCc1ccccc1 ZINC000408959199 1066289547 /nfs/dbraw/zinc/28/95/47/1066289547.db2.gz YSAGEQLGUMDLSN-YYHSPABGSA-N 0 0 644.725 4.523 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(C)c2)c(I)c1 ZINC000408959208 1066289431 /nfs/dbraw/zinc/28/94/31/1066289431.db2.gz YSRUQXQMDVRJPZ-CBXWFWILSA-N 0 0 714.557 4.699 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(C)c2)c(I)c1 ZINC000408959209 1066738257 /nfs/dbraw/zinc/73/82/57/1066738257.db2.gz YSRUQXQMDVRJPZ-MCOUPYJHSA-N 0 0 714.557 4.699 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(C)c2)c(I)c1 ZINC000408959210 1066289554 /nfs/dbraw/zinc/28/95/54/1066289554.db2.gz YSRUQXQMDVRJPZ-UVTRAYBSSA-N 0 0 714.557 4.699 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(C)c2)c(I)c1 ZINC000408959211 1066738359 /nfs/dbraw/zinc/73/83/59/1066738359.db2.gz YSRUQXQMDVRJPZ-VLHNTZRTSA-N 0 0 714.557 4.699 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000408959216 1066738341 /nfs/dbraw/zinc/73/83/41/1066738341.db2.gz YTIOKGQMEUFKOG-BSIOPWIUSA-N 0 0 627.069 4.579 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000408959217 1066738281 /nfs/dbraw/zinc/73/82/81/1066738281.db2.gz YTIOKGQMEUFKOG-JRBXKIDESA-N 0 0 627.069 4.579 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000408959218 1066738404 /nfs/dbraw/zinc/73/84/04/1066738404.db2.gz YTIOKGQMEUFKOG-QBJCGTOJSA-N 0 0 627.069 4.579 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000408959219 1066738304 /nfs/dbraw/zinc/73/83/04/1066738304.db2.gz YTIOKGQMEUFKOG-YRMQJCIVSA-N 0 0 627.069 4.579 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408959262 1066737926 /nfs/dbraw/zinc/73/79/26/1066737926.db2.gz YYPJTBBBTWFYIJ-CERVVBPASA-N 0 0 769.593 4.661 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408959263 1066737857 /nfs/dbraw/zinc/73/78/57/1066737857.db2.gz YYPJTBBBTWFYIJ-KCIOEORNSA-N 0 0 769.593 4.661 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408959264 1066737871 /nfs/dbraw/zinc/73/78/71/1066737871.db2.gz YYPJTBBBTWFYIJ-PVEPWZHISA-N 0 0 769.593 4.661 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(OCC)c1 ZINC000408959265 1066737915 /nfs/dbraw/zinc/73/79/15/1066737915.db2.gz YYPJTBBBTWFYIJ-RHJSPPDHSA-N 0 0 769.593 4.661 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccc(C)cc2)cc1Br ZINC000408959336 1066740374 /nfs/dbraw/zinc/74/03/74/1066740374.db2.gz ZILCZSFDLCLSNN-DOHLSTTDSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccc(C)cc2)cc1Br ZINC000408959337 1066740253 /nfs/dbraw/zinc/74/02/53/1066740253.db2.gz ZILCZSFDLCLSNN-JJUCPSHKSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccc(C)cc2)cc1Br ZINC000408959338 1066740308 /nfs/dbraw/zinc/74/03/08/1066740308.db2.gz ZILCZSFDLCLSNN-RXAGHVTQSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccc(C)cc2)cc1Br ZINC000408959339 1066740238 /nfs/dbraw/zinc/74/02/38/1066740238.db2.gz ZILCZSFDLCLSNN-VEFLAUPGSA-N 0 0 697.583 4.866 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408959348 1066740329 /nfs/dbraw/zinc/74/03/29/1066740329.db2.gz ZJPMDJCZYNOEQB-CMNHAHQGSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408959349 1066740206 /nfs/dbraw/zinc/74/02/06/1066740206.db2.gz ZJPMDJCZYNOEQB-LSBZXAAESA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408959350 1066740219 /nfs/dbraw/zinc/74/02/19/1066740219.db2.gz ZJPMDJCZYNOEQB-UAIMIGJRSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408959351 1066289479 /nfs/dbraw/zinc/28/94/79/1066289479.db2.gz ZJPMDJCZYNOEQB-VNTNLWMJSA-N 0 0 826.426 4.995 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C)c(I)c2)c1C ZINC000408959424 1066740361 /nfs/dbraw/zinc/74/03/61/1066740361.db2.gz ZPLKVDQWSOHDDI-CWQXXQLSSA-N 0 0 701.562 4.528 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C)c(I)c2)c1C ZINC000408959425 1066740267 /nfs/dbraw/zinc/74/02/67/1066740267.db2.gz ZPLKVDQWSOHDDI-IHSQPLDZSA-N 0 0 701.562 4.528 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C)c(I)c2)c1C ZINC000408959426 1066740617 /nfs/dbraw/zinc/74/06/17/1066740617.db2.gz ZPLKVDQWSOHDDI-JJMTZABZSA-N 0 0 701.562 4.528 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C)c(I)c2)c1C ZINC000408959427 1066740744 /nfs/dbraw/zinc/74/07/44/1066740744.db2.gz ZPLKVDQWSOHDDI-NJDCTWPSSA-N 0 0 701.562 4.528 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2F)c(I)c1 ZINC000408959500 1066740214 /nfs/dbraw/zinc/74/02/14/1066740214.db2.gz ZZNASMBXXFKQGU-CFXZTRMJSA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2F)c(I)c1 ZINC000408959501 1066289444 /nfs/dbraw/zinc/28/94/44/1066289444.db2.gz ZZNASMBXXFKQGU-JEUQEEEISA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2F)c(I)c1 ZINC000408959502 1066740367 /nfs/dbraw/zinc/74/03/67/1066740367.db2.gz ZZNASMBXXFKQGU-KKVRIENKSA-N 0 0 718.520 4.530 40 30 KJEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2F)c(I)c1 ZINC000408959503 1066740245 /nfs/dbraw/zinc/74/02/45/1066740245.db2.gz ZZNASMBXXFKQGU-RMTYXQARSA-N 0 0 718.520 4.530 40 30 KJEBRN CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccc2ccccc2c1 ZINC000408959945 1066740322 /nfs/dbraw/zinc/74/03/22/1066740322.db2.gz AYKLFDXYOIVCBC-SBZDMIGCSA-N 0 0 510.619 4.887 40 30 KJEBRN CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408960173 1066740315 /nfs/dbraw/zinc/74/03/15/1066740315.db2.gz CZDUPNDKJVBAOO-BOJSJVFISA-N 0 0 543.693 4.724 40 30 KJEBRN COc1ccc(N=C2S/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2Cc2ccco2)cc1 ZINC000408960337 1066740259 /nfs/dbraw/zinc/74/02/59/1066740259.db2.gz FBUCKPFXSXXKAI-UHJIOYGOSA-N 0 0 556.644 4.906 40 30 KJEBRN CCOc1ccc(N=C2S/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2CC)cc1 ZINC000408960664 1066739701 /nfs/dbraw/zinc/73/97/01/1066739701.db2.gz HSFRTHRJCNIXMG-KSVGNYRWSA-N 0 0 518.639 4.523 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OCC ZINC000408960712 1066288949 /nfs/dbraw/zinc/28/89/49/1066288949.db2.gz HWTMJHGEULOFFT-XDHOZWIPSA-N 0 0 582.416 4.532 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1OCC(=O)OC ZINC000408960725 1066739776 /nfs/dbraw/zinc/73/97/76/1066739776.db2.gz ICXMUKASFCXRAB-WOJGMQOQSA-N 0 0 505.390 4.600 40 30 KJEBRN O=C(Cn1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c2ccccc21)N1CCOCC1 ZINC000408960976 1066739825 /nfs/dbraw/zinc/73/98/25/1066739825.db2.gz KQXYPGMUYMOZDA-NHDPSOOVSA-N 0 0 515.422 4.699 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408961240 1066738861 /nfs/dbraw/zinc/73/88/61/1066738861.db2.gz LPFJVYCKJBBFPO-WOJGMQOQSA-N 0 0 505.390 4.600 40 30 KJEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)cc1 ZINC000408961397 1066739873 /nfs/dbraw/zinc/73/98/73/1066739873.db2.gz SNZWNJAPSNVTJB-NDFXULMZSA-N 0 0 515.683 4.870 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cccc(OC)c3OCC(=O)Nc3ccc(F)cc3)S2)cc1 ZINC000408961479 1066739709 /nfs/dbraw/zinc/73/97/09/1066739709.db2.gz CLUATMDYKHXDHB-HYARGMPZSA-N 0 0 507.543 4.752 40 30 KJEBRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Br ZINC000408961721 1066290468 /nfs/dbraw/zinc/29/04/68/1066290468.db2.gz DPCCUZZWRIRBRA-CXUHLZMHSA-N 0 0 511.781 4.555 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1I ZINC000408961806 1066739814 /nfs/dbraw/zinc/73/98/14/1066739814.db2.gz FFFXMPJEGKDJGU-LICLKQGHSA-N 0 0 664.259 4.738 40 30 KJEBRN O=C(Cn1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)c2ccccc21)N1CCOCC1 ZINC000408961838 1066738665 /nfs/dbraw/zinc/73/86/65/1066738665.db2.gz OLJQIEXPXDBPSB-XYSSONSLSA-N 0 0 537.645 4.699 40 30 KJEBRN O=C(Cn1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21)N1CCOCC1 ZINC000408961882 1066290492 /nfs/dbraw/zinc/29/04/92/1066290492.db2.gz PFCJZQWQWOMLNQ-NDENLUEZSA-N 0 0 515.422 4.699 40 30 KJEBRN Cc1cc(C)c(N=C2S/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2C)c(C)c1 ZINC000408961914 1066290692 /nfs/dbraw/zinc/29/06/92/1066290692.db2.gz PIOIDBCPPWWCAO-HRUMIUIVSA-N 0 0 502.640 4.659 40 30 KJEBRN COC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408962064 1066739891 /nfs/dbraw/zinc/73/98/91/1066739891.db2.gz PLHDICBCVNCTEM-CXUHLZMHSA-N 0 0 540.233 4.963 40 30 KJEBRN CCCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccccc1 ZINC000408962189 1066739912 /nfs/dbraw/zinc/73/99/12/1066739912.db2.gz QTYDZQGWROPEGY-FZFZTRJPSA-N 0 0 502.640 4.904 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408962746 1066738796 /nfs/dbraw/zinc/73/87/96/1066738796.db2.gz UIVIEDNQFGXFBZ-CPNJWEJPSA-N 0 0 518.376 4.902 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(I)cc(I)c3O)S2)cc1 ZINC000408962772 1066290815 /nfs/dbraw/zinc/29/08/15/1066290815.db2.gz USXVCBKKVAONER-VGOFMYFVSA-N 0 0 578.169 4.502 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)S2)cc1 ZINC000408963131 1066290744 /nfs/dbraw/zinc/29/07/44/1066290744.db2.gz ADLJVGBBAKGOPF-BUVRLJJBSA-N 0 0 503.580 4.921 40 30 KJEBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccc(Br)cc1 ZINC000408963181 1066739760 /nfs/dbraw/zinc/73/97/60/1066739760.db2.gz XRAJNMFUIGHEJX-KAJIUBQISA-N 0 0 553.482 4.887 40 30 KJEBRN COC(=O)COc1c(I)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1I ZINC000408963234 1066290534 /nfs/dbraw/zinc/29/05/34/1066290534.db2.gz YEAYKSFLEJHIGX-CXUHLZMHSA-N 0 0 634.233 4.648 40 30 KJEBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccc(Cl)cc1 ZINC000408963236 1066739904 /nfs/dbraw/zinc/73/99/04/1066739904.db2.gz YEEJQEMFGUGACW-KAJIUBQISA-N 0 0 509.031 4.777 40 30 KJEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(Br)cc1OCC(=O)OC ZINC000408963301 1066739770 /nfs/dbraw/zinc/73/97/70/1066739770.db2.gz YXQQBSNBBUODTO-VXLYETTFSA-N 0 0 505.390 4.600 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)cc(I)c3O)S2)cc1 ZINC000408963320 1066202091 /nfs/dbraw/zinc/20/20/91/1066202091.db2.gz ZEKCVLRPFTZORH-AUWJEWJLSA-N 0 0 531.169 4.660 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OCC ZINC000408963484 1066290454 /nfs/dbraw/zinc/29/04/54/1066290454.db2.gz BVSOXMGCAQFIAR-RGVLZGJSSA-N 0 0 535.416 4.690 40 30 KJEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(I)cc(I)c3O)S2)cc1 ZINC000408963572 1066290563 /nfs/dbraw/zinc/29/05/63/1066290563.db2.gz CHCFZQFCBBBSEP-VGOFMYFVSA-N 0 0 562.170 4.801 40 30 KJEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)cc(I)c3O)S2)cc1 ZINC000408963761 1066290778 /nfs/dbraw/zinc/29/07/78/1066290778.db2.gz PBPXOYIGTQBGKP-AUWJEWJLSA-N 0 0 515.170 4.959 40 30 KJEBRN O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1ccc(O)c(I)c1 ZINC000408963777 1066739720 /nfs/dbraw/zinc/73/97/20/1066739720.db2.gz PGVSGEGRDREBIB-ZSOIEALJSA-N 0 0 501.143 4.651 40 30 KJEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408963873 1066739861 /nfs/dbraw/zinc/73/98/61/1066739861.db2.gz ANKVLINEYGUALV-MTJSOVHGSA-N 0 0 501.033 4.595 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408963943 1066290510 /nfs/dbraw/zinc/29/05/10/1066290510.db2.gz DVJQGIFSIACEJQ-RGVLZGJSSA-N 0 0 519.417 4.990 40 30 KJEBRN COC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Br ZINC000408964424 1066290769 /nfs/dbraw/zinc/29/07/69/1066290769.db2.gz GVFDTQFOTMRHNK-CXUHLZMHSA-N 0 0 556.232 4.664 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408964805 1066739239 /nfs/dbraw/zinc/73/92/39/1066739239.db2.gz SKUJLQLSQOTQGD-XDHOZWIPSA-N 0 0 566.417 4.832 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OC)c(I)c3)S2)cc1 ZINC000408965297 1066290706 /nfs/dbraw/zinc/29/07/06/1066290706.db2.gz JZXBCWUGRIDNAB-OQLLNIDSSA-N 0 0 592.196 4.805 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(I)cc3)S2)cc1 ZINC000408965692 1066290757 /nfs/dbraw/zinc/29/07/57/1066290757.db2.gz LNZLJSWMRMOGCU-CPNJWEJPSA-N 0 0 501.349 4.982 40 30 KJEBRN O=C1/C(=C/c2ccc(O)c(I)c2)SC(=Nc2ccccc2)N1C[C@@H]1CCCO1 ZINC000408965922 1066739364 /nfs/dbraw/zinc/73/93/64/1066739364.db2.gz XPBCPWLFSBSQIS-LVQMXQPGSA-N 0 0 506.365 4.780 40 30 KJEBRN O=C1/C(=C/c2ccc(O)c(I)c2)SC(=Nc2ccccc2)N1C[C@H]1CCCO1 ZINC000408965924 1066739226 /nfs/dbraw/zinc/73/92/26/1066739226.db2.gz XPBCPWLFSBSQIS-RSXMSRJQSA-N 0 0 506.365 4.780 40 30 KJEBRN CN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=Nc1ccc(Br)cc1 ZINC000408965938 1066291241 /nfs/dbraw/zinc/29/12/41/1066291241.db2.gz XTXDLJAFYNIEGX-KTVYXKAUSA-N 0 0 515.170 4.993 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408965973 1066739400 /nfs/dbraw/zinc/73/94/00/1066739400.db2.gz YENFZXQBHSOBMZ-VXLYETTFSA-N 0 0 505.390 4.600 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Br ZINC000408966217 1066290039 /nfs/dbraw/zinc/29/00/39/1066290039.db2.gz NUQYRULBYZWHSR-LICLKQGHSA-N 0 0 525.808 4.945 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408966822 1066291388 /nfs/dbraw/zinc/29/13/88/1066291388.db2.gz QSXXNABSGOEDPE-LDADJPATSA-N 0 0 504.349 4.512 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OCC ZINC000408967249 1066738898 /nfs/dbraw/zinc/73/88/98/1066738898.db2.gz UBQSEEQSRIXVIM-XDHOZWIPSA-N 0 0 535.416 4.690 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)S2)cc1 ZINC000408967377 1066745491 /nfs/dbraw/zinc/74/54/91/1066745491.db2.gz VHRXXQJBCQKUNK-OEAKJJBVSA-N 0 0 507.543 4.752 40 30 KJEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408967499 1066291452 /nfs/dbraw/zinc/29/14/52/1066291452.db2.gz SQHQALHXPYSARX-JMIUGGIZSA-N 0 0 521.451 4.940 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c(OC(C)C)c(OC)c3)S2)cc1 ZINC000408967642 1066745465 /nfs/dbraw/zinc/74/54/65/1066745465.db2.gz WHUAHUBBCLOEJG-WOJGMQOQSA-N 0 0 524.380 4.987 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OCC ZINC000408967899 1066745077 /nfs/dbraw/zinc/74/50/77/1066745077.db2.gz XZBYARRARQRELT-CPNJWEJPSA-N 0 0 534.375 4.602 40 30 KJEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408967905 1066291548 /nfs/dbraw/zinc/29/15/48/1066291548.db2.gz VQCNQQCSXFFKJG-ODLFYWEKSA-N 0 0 521.451 4.940 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408968016 1066745089 /nfs/dbraw/zinc/74/50/89/1066745089.db2.gz YPDFMKWKNGLDKB-XDHOZWIPSA-N 0 0 519.417 4.990 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cccc(OC)c3OCC(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000408968203 1066291523 /nfs/dbraw/zinc/29/15/23/1066291523.db2.gz ZZMFHVGGKFNDTN-HZHRSRAPSA-N 0 0 503.580 4.921 40 30 KJEBRN CCOc1cc(C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408968619 1066744989 /nfs/dbraw/zinc/74/49/89/1066744989.db2.gz AJPRRFLEUWKSQZ-MZJWZYIUSA-N 0 0 531.430 4.934 40 30 KJEBRN C=CCNC(=S)N/N=C/c1cc(Br)c(OCCOCCOc2ccc(C)c(C)c2)c(OC)c1 ZINC000408968709 1066745034 /nfs/dbraw/zinc/74/50/34/1066745034.db2.gz BNYRDDJKFIZENS-JVWAILMASA-N 0 0 536.492 4.533 40 30 KJEBRN COc1cc(/C=N/NC(=S)Nc2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408969282 1066745002 /nfs/dbraw/zinc/74/50/02/1066745002.db2.gz KQPYYWNYZHFTSV-ZVHZXABRSA-N 0 0 534.457 4.854 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000408969486 1066744548 /nfs/dbraw/zinc/74/45/48/1066744548.db2.gz ONJUXLKIQGKFRC-XHLNEMQHSA-N 0 0 534.686 4.979 40 30 KJEBRN CC[C@H](C)c1ccc(OCCOc2c(I)cc(/C=N/NC(=S)NC)cc2OC)cc1 ZINC000408969540 1066744458 /nfs/dbraw/zinc/74/44/58/1066744458.db2.gz PVYYEXQKHISIPT-CAUYNWHBSA-N 0 0 541.455 4.699 40 30 KJEBRN CC[C@@H](C)c1ccc(OCCOc2c(I)cc(/C=N/NC(=S)NC)cc2OC)cc1 ZINC000408969541 1066744404 /nfs/dbraw/zinc/74/44/04/1066744404.db2.gz PVYYEXQKHISIPT-PVLQNKMRSA-N 0 0 541.455 4.699 40 30 KJEBRN C=CCNC(=S)N/N=C/c1cc(Br)c(OCCOCCOc2ccccc2C)c(OCC)c1 ZINC000408969992 1066202126 /nfs/dbraw/zinc/20/21/26/1066202126.db2.gz YHUPVAQIGVPPEW-WPWMEQJKSA-N 0 0 536.492 4.615 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2cccc(C=NN=c3cc(N4CCCCC4)[nH]c(N4CCCCC4)n3)c2)cc1 ZINC000408970197 1066291931 /nfs/dbraw/zinc/29/19/31/1066291931.db2.gz CJWCJTVTAIWGIE-XHLNEMQHSA-N 0 0 534.686 4.979 40 30 KJEBRN C=CCNC(=S)N/N=C/c1cc(Br)c(OCCOCCOc2ccc(C)cc2)c(OCC)c1 ZINC000408970267 1066744339 /nfs/dbraw/zinc/74/43/39/1066744339.db2.gz DXLBVUKJESUBCK-WPWMEQJKSA-N 0 0 536.492 4.615 40 30 KJEBRN CCOc1cc(C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)cc(Cl)c1OCCOc1ccccc1OC ZINC000408970528 1066744524 /nfs/dbraw/zinc/74/45/24/1066744524.db2.gz AXYOMTZHUISBEB-OGLMXYFKSA-N 0 0 529.041 4.573 40 30 KJEBRN CNC(=S)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000408970741 1066744563 /nfs/dbraw/zinc/74/45/63/1066744563.db2.gz CWMBXSZDMGETGI-GZIVZEMBSA-N 0 0 524.211 4.613 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2ccc(C=NN=c3cc(N4CCCCC4)[nH]c(N4CCCCC4)n3)cc2)cc1 ZINC000408970778 1066744435 /nfs/dbraw/zinc/74/44/35/1066744435.db2.gz KAVBEQYBOKZENG-XHLNEMQHSA-N 0 0 534.686 4.979 40 30 KJEBRN O=[N+]([O-])c1ccc(OCCOc2ccc(Br)cc2)c(/C=N/NC(=S)NCc2ccccc2)c1 ZINC000408970886 1066744539 /nfs/dbraw/zinc/74/45/39/1066744539.db2.gz ACJDXNQDKVWYGT-WGOQTCKBSA-N 0 0 529.416 4.813 40 30 KJEBRN CCOc1cc(C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)cc(Cl)c1OCCOc1cccc(OC)c1 ZINC000408970916 1066744502 /nfs/dbraw/zinc/74/45/02/1066744502.db2.gz DWQOAAURNQOFKH-OGLMXYFKSA-N 0 0 529.041 4.573 40 30 KJEBRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n21 ZINC000408970989 1066744379 /nfs/dbraw/zinc/74/43/79/1066744379.db2.gz FMVVVSYYYCDWAR-MRWVFDTMSA-N 0 0 795.652 4.896 40 30 KJEBRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n21 ZINC000408970991 1066744467 /nfs/dbraw/zinc/74/44/67/1066744467.db2.gz FMVVVSYYYCDWAR-NBQDTTAVSA-N 0 0 795.652 4.896 40 30 KJEBRN CCOc1cc(C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)cc(Br)c1OCc1ccccc1F ZINC000408971072 1066743796 /nfs/dbraw/zinc/74/37/96/1066743796.db2.gz HCUQHHLCKVGVCY-MZJWZYIUSA-N 0 0 531.430 4.934 40 30 KJEBRN COc1cccc(OCCOc2ccc(C=NN=c3cc(N4CCCC4)[nH]c(N4CCCC4)n3)cc2OC)c1 ZINC000408971191 1066292131 /nfs/dbraw/zinc/29/21/31/1066292131.db2.gz DDZZEIYBUKEDBU-MWAVMZGNSA-N 0 0 532.645 4.598 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=NNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000408971258 1066744021 /nfs/dbraw/zinc/74/40/21/1066744021.db2.gz FALQSHYMTHGLGO-MTDXEUNCSA-N 0 0 541.077 4.853 40 30 KJEBRN CNC(=S)N/N=C/c1cc(I)c(OCCOc2cc(C)ccc2C(C)C)c(OC)c1 ZINC000408971408 1066292033 /nfs/dbraw/zinc/29/20/33/1066292033.db2.gz NXWBGNKKNPSVSJ-DHRITJCHSA-N 0 0 541.455 4.617 40 30 KJEBRN CN(C)c1cc(=NN=Cc2cc(Cl)ccc2OCCOc2ccc(Br)cc2)nc(N(C)C)[nH]1 ZINC000408971648 1066743927 /nfs/dbraw/zinc/74/39/27/1066743927.db2.gz KSPOUCLAODCBPT-CVKSISIWSA-N 0 0 533.858 4.928 40 30 KJEBRN CCOc1cc(C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000408971767 1066743866 /nfs/dbraw/zinc/74/38/66/1066743866.db2.gz QDNTYHJTBKHRAA-TWKHWXDSSA-N 0 0 536.677 4.545 40 30 KJEBRN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=NNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000408971785 1066743977 /nfs/dbraw/zinc/74/39/77/1066743977.db2.gz QGMRIXPGWKHBED-ZTKZIYFRSA-N 0 0 531.617 4.797 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC ZINC000408971906 1066743832 /nfs/dbraw/zinc/74/38/32/1066743832.db2.gz LSIIZFBYCHGSEY-GDNBJRDFSA-N 0 0 526.252 4.660 40 30 KJEBRN Cc1ccc(OCCOc2ccc(Br)cc2C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)cc1C ZINC000408972174 1066291141 /nfs/dbraw/zinc/29/11/41/1066291141.db2.gz TWVSJCHKMUGGKF-JVWAILMASA-N 0 0 527.467 4.892 40 30 KJEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000408972314 1066743942 /nfs/dbraw/zinc/74/39/42/1066743942.db2.gz AJKCMXYDDKMEME-MCLRBIOVSA-N 0 0 594.653 4.580 40 30 KJEBRN CCOC(=O)c1ccc(Nc2nc3nonc3nc2N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000408972539 1066743431 /nfs/dbraw/zinc/74/34/31/1066743431.db2.gz DKPKLEFOKQIGBS-IBBHUPRXSA-N 0 0 567.009 4.879 40 30 KJEBRN CN(C)c1cc(NN=Cc2cc(Cl)c(OCCOCCOc3ccccc3)c(Cl)c2)nc(N(C)C)n1 ZINC000408972699 1066292206 /nfs/dbraw/zinc/29/22/06/1066292206.db2.gz UZDFFCPJPDMGCR-OGLMXYFKSA-N 0 0 533.460 4.836 40 30 KJEBRN Cc1cc(Br)c(Nc2nc(NN=Cc3cccc(Br)c3)nc(N3CCOCC3)n2)cc1Cl ZINC000408972800 1066743390 /nfs/dbraw/zinc/74/33/90/1066743390.db2.gz FULARZXISZZZQO-ROTLSHHCSA-N 0 0 581.700 4.807 40 30 KJEBRN C=CCNC(=S)N/N=C/c1cc(Br)c(OCCOCCOc2cccc(C)c2)c(OCC)c1 ZINC000408973243 1066743555 /nfs/dbraw/zinc/74/35/55/1066743555.db2.gz XUAXDYJOKWDYHO-WPWMEQJKSA-N 0 0 536.492 4.615 40 30 KJEBRN C=CCc1ccccc1OCCOc1c(Cl)cc(C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)cc1OC ZINC000408973552 1066743478 /nfs/dbraw/zinc/74/34/78/1066743478.db2.gz YURCOQFHTUJLST-RDRPBHBLSA-N 0 0 525.053 4.903 40 30 KJEBRN Fc1ccc(Nc2nc3nonc3nc2N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000408973972 1066743515 /nfs/dbraw/zinc/74/35/15/1066743515.db2.gz SFJGQTQAPLGTNC-VFLNYLIXSA-N 0 0 512.936 4.842 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(Br)c(OCCOCCOc2ccc(C)c(C)c2)c(OCC)c1 ZINC000408974061 1066743545 /nfs/dbraw/zinc/74/35/45/1066743545.db2.gz WPYNDKSOISUHDC-JVWAILMASA-N 0 0 538.508 4.757 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408974798 1066746491 /nfs/dbraw/zinc/74/64/91/1066746491.db2.gz DYHYQMUZKBDOIC-DLBLZJNESA-N 0 0 756.400 4.971 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408974799 1066746404 /nfs/dbraw/zinc/74/64/04/1066746404.db2.gz DYHYQMUZKBDOIC-FCKOQQNDSA-N 0 0 756.400 4.971 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Br)cc1 ZINC000408974921 1066292047 /nfs/dbraw/zinc/29/20/47/1066292047.db2.gz FUHUFIJNTHHXNV-UXHLAJHPSA-N 0 0 590.482 4.670 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408975798 1066746032 /nfs/dbraw/zinc/74/60/32/1066746032.db2.gz NSPINDQKYONVFX-QKSFETHESA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408975799 1066745964 /nfs/dbraw/zinc/74/59/64/1066745964.db2.gz NSPINDQKYONVFX-ZDQFFALBSA-N 0 0 613.530 4.533 40 30 KJEBRN CC(=O)Oc1cccc(/C=C2\S/C(=N\c3ccc4c(c3)OCO4)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408976533 1066745581 /nfs/dbraw/zinc/74/55/81/1066745581.db2.gz FYUXNXARBWVKGA-XKAKKPPJSA-N 0 0 502.504 4.878 40 30 KJEBRN CCOc1cc(C=NNc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)cc(Cl)c1O ZINC000408977260 1066745499 /nfs/dbraw/zinc/74/54/99/1066745499.db2.gz VBZQACSDJWBFOZ-KKMKTNMSSA-N 0 0 597.301 4.802 40 30 KJEBRN COc1c(I)cc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1I ZINC000408977497 1066755028 /nfs/dbraw/zinc/75/50/28/1066755028.db2.gz DUTNDVNUZOPXTP-UHFFFAOYSA-N 0 0 553.141 5.087 40 30 KJEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCc1ccc(Br)cc1 ZINC000408977706 1066755003 /nfs/dbraw/zinc/75/50/03/1066755003.db2.gz XSEGLFRWJFFXCM-OGLMXYFKSA-N 0 0 552.477 4.868 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)o1 ZINC000408978936 1066747016 /nfs/dbraw/zinc/74/70/16/1066747016.db2.gz AZPPXYIUIWDEFS-FHQMNNMHSA-N 0 0 562.651 4.574 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)o1 ZINC000408978937 1066746883 /nfs/dbraw/zinc/74/68/83/1066746883.db2.gz AZPPXYIUIWDEFS-IPAKXIGBSA-N 0 0 562.651 4.574 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408979760 1066753944 /nfs/dbraw/zinc/75/39/44/1066753944.db2.gz CURQHLACWSELST-FQWZWQHVSA-N 0 0 660.546 4.618 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408979765 1066293372 /nfs/dbraw/zinc/29/33/72/1066293372.db2.gz CURQHLACWSELST-LRUGRNCASA-N 0 0 660.546 4.618 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408979915 1066753978 /nfs/dbraw/zinc/75/39/78/1066753978.db2.gz DJXNXTOHXLGOFQ-LBLGWMPZSA-N 0 0 599.108 5.000 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408979916 1066754014 /nfs/dbraw/zinc/75/40/14/1066754014.db2.gz DJXNXTOHXLGOFQ-ZUXOAJPSSA-N 0 0 599.108 5.000 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408980223 1066753485 /nfs/dbraw/zinc/75/34/85/1066753485.db2.gz FDWDLZXDEKKHMV-QHCWNQLDSA-N 0 0 618.715 4.690 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408980225 1066753566 /nfs/dbraw/zinc/75/35/66/1066753566.db2.gz FDWDLZXDEKKHMV-SODCYNRPSA-N 0 0 618.715 4.690 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408980299 1066293481 /nfs/dbraw/zinc/29/34/81/1066293481.db2.gz FKDUIGGWUVBNEJ-LMKKRCETSA-N 0 0 585.081 4.610 40 30 KJEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408980301 1066753553 /nfs/dbraw/zinc/75/35/53/1066753553.db2.gz FKDUIGGWUVBNEJ-YMWOEAMWSA-N 0 0 585.081 4.610 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408981012 1066752966 /nfs/dbraw/zinc/75/29/66/1066752966.db2.gz HFJGYGFKLCDVRH-FQWZWQHVSA-N 0 0 646.121 4.517 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408981013 1066753072 /nfs/dbraw/zinc/75/30/72/1066753072.db2.gz HFJGYGFKLCDVRH-LRUGRNCASA-N 0 0 646.121 4.517 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408981241 1066752237 /nfs/dbraw/zinc/75/22/37/1066752237.db2.gz AHLMKJPPMIDNHD-AHQATDLNSA-N 0 0 629.532 4.719 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408981243 1066752128 /nfs/dbraw/zinc/75/21/28/1066752128.db2.gz AHLMKJPPMIDNHD-AYTQJLEDSA-N 0 0 629.532 4.719 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408981318 1066752681 /nfs/dbraw/zinc/75/26/81/1066752681.db2.gz ARQGISJNXLKKHQ-AHQATDLNSA-N 0 0 585.081 4.610 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408981321 1066752625 /nfs/dbraw/zinc/75/26/25/1066752625.db2.gz ARQGISJNXLKKHQ-AYTQJLEDSA-N 0 0 585.081 4.610 40 30 KJEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408981494 1066752145 /nfs/dbraw/zinc/75/21/45/1066752145.db2.gz IAOINPIOMBCSOE-LMKKRCETSA-N 0 0 555.055 4.601 40 30 KJEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408981495 1066752188 /nfs/dbraw/zinc/75/21/88/1066752188.db2.gz IAOINPIOMBCSOE-YMWOEAMWSA-N 0 0 555.055 4.601 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408981658 1066752060 /nfs/dbraw/zinc/75/20/60/1066752060.db2.gz IMRKMNQJCJICIP-LLXISZFLSA-N 0 0 626.731 4.916 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408981661 1066752211 /nfs/dbraw/zinc/75/22/11/1066752211.db2.gz IMRKMNQJCJICIP-PLNPHXOGSA-N 0 0 626.731 4.916 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408981763 1066752173 /nfs/dbraw/zinc/75/21/73/1066752173.db2.gz BOPZINYKOZVDLT-AHQATDLNSA-N 0 0 615.107 4.618 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408981764 1066752155 /nfs/dbraw/zinc/75/21/55/1066752155.db2.gz BOPZINYKOZVDLT-AYTQJLEDSA-N 0 0 615.107 4.618 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408981791 1066752204 /nfs/dbraw/zinc/75/22/04/1066752204.db2.gz BXWQUWHNZFIIRK-HXQACLMCSA-N 0 0 596.705 4.908 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408981792 1066752245 /nfs/dbraw/zinc/75/22/45/1066752245.db2.gz BXWQUWHNZFIIRK-UOFRAYPZSA-N 0 0 596.705 4.908 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408982234 1066751598 /nfs/dbraw/zinc/75/15/98/1066751598.db2.gz CWVKBJZSEXFSHX-LMKKRCETSA-N 0 0 585.081 4.610 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408982236 1066751814 /nfs/dbraw/zinc/75/18/14/1066751814.db2.gz CWVKBJZSEXFSHX-YMWOEAMWSA-N 0 0 585.081 4.610 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000408982845 1066750860 /nfs/dbraw/zinc/75/08/60/1066750860.db2.gz JVNHDANCSMYLIW-ITNPZBTBSA-N 0 0 558.663 4.673 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000408982851 1066750901 /nfs/dbraw/zinc/75/09/01/1066750901.db2.gz JVNHDANCSMYLIW-UAMLYEQYSA-N 0 0 558.663 4.673 40 30 KJEBRN C=CCOc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408983732 1066294667 /nfs/dbraw/zinc/29/46/67/1066294667.db2.gz HJZJOGOZRALFLO-CNXRAYQQSA-N 0 0 500.555 4.935 40 30 KJEBRN C=CCOc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408983734 1066750347 /nfs/dbraw/zinc/75/03/47/1066750347.db2.gz HJZJOGOZRALFLO-YXCSQOMQSA-N 0 0 500.555 4.935 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408984223 1066749781 /nfs/dbraw/zinc/74/97/81/1066749781.db2.gz MDNWRGWESSDTKE-FWESEHMYSA-N 0 0 645.133 4.627 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408984227 1066749784 /nfs/dbraw/zinc/74/97/84/1066749784.db2.gz MDNWRGWESSDTKE-OINPTKSXSA-N 0 0 645.133 4.627 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408984293 1066749715 /nfs/dbraw/zinc/74/97/15/1066749715.db2.gz MJRVZBTYDJXTDD-FQWZWQHVSA-N 0 0 690.572 4.626 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408984296 1066749755 /nfs/dbraw/zinc/74/97/55/1066749755.db2.gz MJRVZBTYDJXTDD-LRUGRNCASA-N 0 0 690.572 4.626 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408984795 1066749298 /nfs/dbraw/zinc/74/92/98/1066749298.db2.gz MXAPXDIGPUCMCJ-GBIJUZDQSA-N 0 0 616.095 4.509 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408984796 1066749345 /nfs/dbraw/zinc/74/93/45/1066749345.db2.gz MXAPXDIGPUCMCJ-JQTKYWOZSA-N 0 0 616.095 4.509 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408984836 1066749280 /nfs/dbraw/zinc/74/92/80/1066749280.db2.gz NBKMZVMTHGFZCN-IVQFASICSA-N 0 0 588.689 4.682 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408984839 1066749226 /nfs/dbraw/zinc/74/92/26/1066749226.db2.gz NBKMZVMTHGFZCN-SELCLYCASA-N 0 0 588.689 4.682 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408984994 1066749366 /nfs/dbraw/zinc/74/93/66/1066749366.db2.gz KAAXBEWMRPJKQQ-CWJUKMOQSA-N 0 0 720.598 4.635 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408984995 1066749237 /nfs/dbraw/zinc/74/92/37/1066749237.db2.gz KAAXBEWMRPJKQQ-SFKHYTNKSA-N 0 0 720.598 4.635 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cccc(Cl)c1Cl ZINC000408985487 1066748341 /nfs/dbraw/zinc/74/83/41/1066748341.db2.gz MKHSAIJCIWNFJS-BHSBJAHRSA-N 0 0 637.339 4.779 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cccc(Cl)c1Cl ZINC000408985489 1066748326 /nfs/dbraw/zinc/74/83/26/1066748326.db2.gz MKHSAIJCIWNFJS-LPRAYXGFSA-N 0 0 637.339 4.779 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408985561 1066748408 /nfs/dbraw/zinc/74/84/08/1066748408.db2.gz NKWXKWPPHRRELP-FWESEHMYSA-N 0 0 689.584 4.736 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408985563 1066748378 /nfs/dbraw/zinc/74/83/78/1066748378.db2.gz NKWXKWPPHRRELP-OINPTKSXSA-N 0 0 689.584 4.736 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408986102 1066747923 /nfs/dbraw/zinc/74/79/23/1066747923.db2.gz LPWMQEYSCRJHJV-QPWQWLJXSA-N 0 0 630.520 4.609 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408986105 1066747953 /nfs/dbraw/zinc/74/79/53/1066747953.db2.gz LPWMQEYSCRJHJV-ZYSRDMNZSA-N 0 0 630.520 4.609 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408986140 1066747971 /nfs/dbraw/zinc/74/79/71/1066747971.db2.gz LSQWUKKNUCTLMI-QPWQWLJXSA-N 0 0 660.546 4.618 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408986141 1066747803 /nfs/dbraw/zinc/74/78/03/1066747803.db2.gz LSQWUKKNUCTLMI-ZYSRDMNZSA-N 0 0 660.546 4.618 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408986195 1066747494 /nfs/dbraw/zinc/74/74/94/1066747494.db2.gz OMQJHQZNRKUCIV-FWESEHMYSA-N 0 0 659.558 4.727 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408986196 1066747966 /nfs/dbraw/zinc/74/79/66/1066747966.db2.gz OMQJHQZNRKUCIV-OINPTKSXSA-N 0 0 659.558 4.727 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408986526 1066747475 /nfs/dbraw/zinc/74/74/75/1066747475.db2.gz MPISASIPVUGLIK-HRLSHZPLSA-N 0 0 582.678 4.518 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408986527 1066747374 /nfs/dbraw/zinc/74/73/74/1066747374.db2.gz MPISASIPVUGLIK-RWDZFFNTSA-N 0 0 582.678 4.518 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000408986785 1066746871 /nfs/dbraw/zinc/74/68/71/1066746871.db2.gz PHRSOPVAAQJWNQ-JBDHCHCMSA-N 0 0 564.692 4.734 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000408986787 1066747104 /nfs/dbraw/zinc/74/71/04/1066747104.db2.gz PHRSOPVAAQJWNQ-PIXWUVMMSA-N 0 0 564.692 4.734 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408986809 1066746967 /nfs/dbraw/zinc/74/69/67/1066746967.db2.gz NEWVTEJCGNSJRC-QPWQWLJXSA-N 0 0 616.095 4.509 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408986811 1066747540 /nfs/dbraw/zinc/74/75/40/1066747540.db2.gz NEWVTEJCGNSJRC-ZYSRDMNZSA-N 0 0 616.095 4.509 40 30 KJEBRN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC#N)c(OC)c4)c(=O)n32)ccc1C ZINC000408986948 1066294156 /nfs/dbraw/zinc/29/41/56/1066294156.db2.gz TXIPARZQBANLSR-FUFNRSNVSA-N 0 0 659.562 4.864 40 30 KJEBRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCC#N)c(OC)c4)c(=O)n32)ccc1C ZINC000408986951 1066294178 /nfs/dbraw/zinc/29/41/78/1066294178.db2.gz TXIPARZQBANLSR-PRLWALMFSA-N 0 0 659.562 4.864 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408986960 1066746981 /nfs/dbraw/zinc/74/69/81/1066746981.db2.gz NWZIXWFGSAAKOU-LMSRTUJASA-N 0 0 643.556 4.542 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408986962 1066294042 /nfs/dbraw/zinc/29/40/42/1066294042.db2.gz NWZIXWFGSAAKOU-RISWYLRJSA-N 0 0 643.556 4.542 40 30 KJEBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)c1OCC#N ZINC000408986989 1066294249 /nfs/dbraw/zinc/29/42/49/1066294249.db2.gz UGSBLQCJSRWJKQ-FCYPAOMHSA-N 0 0 615.509 4.547 40 30 KJEBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(Br)c1OCC#N ZINC000408986992 1066747024 /nfs/dbraw/zinc/74/70/24/1066747024.db2.gz UGSBLQCJSRWJKQ-KDSDTBODSA-N 0 0 615.509 4.547 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408987306 1066761690 /nfs/dbraw/zinc/76/16/90/1066761690.db2.gz OBOFISUDSVEFFX-CBPRFPNYSA-N 0 0 573.674 4.532 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408987309 1066761615 /nfs/dbraw/zinc/76/16/15/1066761615.db2.gz OBOFISUDSVEFFX-ZRYJBNJPSA-N 0 0 573.674 4.532 40 30 KJEBRN COc1cc(/C=C2\SC(=Nc3cc(C)c(C)c([N+](=O)[O-])c3)NC2=O)cc(Br)c1OCC#N ZINC000408987395 1066761170 /nfs/dbraw/zinc/76/11/70/1066761170.db2.gz XICMQWGDXVMSFD-NVMNQCDNSA-N 0 0 517.361 4.777 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408987507 1066761154 /nfs/dbraw/zinc/76/11/54/1066761154.db2.gz QINVAVBQDLMQPH-FWESEHMYSA-N 0 0 736.584 4.578 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408987511 1066761261 /nfs/dbraw/zinc/76/12/61/1066761261.db2.gz QINVAVBQDLMQPH-OINPTKSXSA-N 0 0 736.584 4.578 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408987551 1066294573 /nfs/dbraw/zinc/29/45/73/1066294573.db2.gz QLKCXSUFSOJXCG-CLNXTWJPSA-N 0 0 615.107 4.618 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408987554 1066294786 /nfs/dbraw/zinc/29/47/86/1066294786.db2.gz QLKCXSUFSOJXCG-ZHGFHMGHSA-N 0 0 615.107 4.618 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408987575 1066761295 /nfs/dbraw/zinc/76/12/95/1066761295.db2.gz QLZPFVPDGHDXFP-LMKKRCETSA-N 0 0 555.055 4.601 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408987578 1066761322 /nfs/dbraw/zinc/76/13/22/1066761322.db2.gz QLZPFVPDGHDXFP-YMWOEAMWSA-N 0 0 555.055 4.601 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408987769 1066294724 /nfs/dbraw/zinc/29/47/24/1066294724.db2.gz RCCHIOIMCLVDOS-AHQATDLNSA-N 0 0 585.081 4.610 40 30 KJEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)S2)cc1[N+](=O)[O-] ZINC000408987968 1066760708 /nfs/dbraw/zinc/76/07/08/1066760708.db2.gz CFCUMALPVOOHMX-MTJSOVHGSA-N 0 0 560.577 4.830 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408988189 1066294594 /nfs/dbraw/zinc/29/45/94/1066294594.db2.gz RCCHIOIMCLVDOS-AYTQJLEDSA-N 0 0 585.081 4.610 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408988288 1066294766 /nfs/dbraw/zinc/29/47/66/1066294766.db2.gz QICRGGWCFKAMHC-LMKKRCETSA-N 0 0 599.506 4.710 40 30 KJEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1Br ZINC000408988290 1066760760 /nfs/dbraw/zinc/76/07/60/1066760760.db2.gz QICRGGWCFKAMHC-YMWOEAMWSA-N 0 0 599.506 4.710 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408988349 1066760605 /nfs/dbraw/zinc/76/06/05/1066760605.db2.gz QMOYFOQUHNEUGX-LBLGWMPZSA-N 0 0 543.648 4.524 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408988353 1066760685 /nfs/dbraw/zinc/76/06/85/1066760685.db2.gz QMOYFOQUHNEUGX-ZUXOAJPSSA-N 0 0 543.648 4.524 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408988381 1066760595 /nfs/dbraw/zinc/76/05/95/1066760595.db2.gz QPEOWKOLKPARER-HCWVEKLQSA-N 0 0 630.520 4.609 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408988384 1066760749 /nfs/dbraw/zinc/76/07/49/1066760749.db2.gz QPEOWKOLKPARER-UXAZKMGBSA-N 0 0 630.520 4.609 40 30 KJEBRN CCOc1cc(C=C2C(=O)N(c3ccc(OC)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC#N ZINC000408989103 1066760137 /nfs/dbraw/zinc/76/01/37/1066760137.db2.gz JVSFDEKHMWRMMA-UHFFFAOYSA-N 0 0 543.601 4.753 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408989199 1066760222 /nfs/dbraw/zinc/76/02/22/1066760222.db2.gz SMECGMYQRIBTHM-FHJMOKKUSA-N 0 0 566.679 4.899 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OCC ZINC000408989201 1066296475 /nfs/dbraw/zinc/29/64/75/1066296475.db2.gz SMECGMYQRIBTHM-ODRZPYGQSA-N 0 0 566.679 4.899 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408989316 1066759728 /nfs/dbraw/zinc/75/97/28/1066759728.db2.gz TXMYLOXXYXMFCB-AHQATDLNSA-N 0 0 600.096 4.890 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408989317 1066759682 /nfs/dbraw/zinc/75/96/82/1066759682.db2.gz TXMYLOXXYXMFCB-AYTQJLEDSA-N 0 0 600.096 4.890 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408989352 1066760228 /nfs/dbraw/zinc/76/02/28/1066760228.db2.gz UCOZNUWHXNTWKH-LLXISZFLSA-N 0 0 603.700 4.541 40 30 KJEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000408989354 1066760299 /nfs/dbraw/zinc/76/02/99/1066760299.db2.gz UCOZNUWHXNTWKH-PLNPHXOGSA-N 0 0 603.700 4.541 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408989633 1066759261 /nfs/dbraw/zinc/75/92/61/1066759261.db2.gz UQBSPNRWYQKQIF-OQTDNQPYSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408989634 1066295072 /nfs/dbraw/zinc/29/50/72/1066295072.db2.gz UQBSPNRWYQKQIF-SOEBIRPASA-N 0 0 552.652 4.509 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408989656 1066759111 /nfs/dbraw/zinc/75/91/11/1066759111.db2.gz UVWVLCIAAXQJDA-HCWVEKLQSA-N 0 0 600.494 4.600 40 30 KJEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408989657 1066759274 /nfs/dbraw/zinc/75/92/74/1066759274.db2.gz UVWVLCIAAXQJDA-UXAZKMGBSA-N 0 0 600.494 4.600 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC ZINC000408989872 1066758792 /nfs/dbraw/zinc/75/87/92/1066758792.db2.gz ULSABIOIFGVJPV-IVQFASICSA-N 0 0 588.689 4.682 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408989876 1066759049 /nfs/dbraw/zinc/75/90/49/1066759049.db2.gz ULSABIOIFGVJPV-SELCLYCASA-N 0 0 588.689 4.682 40 30 KJEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408990340 1066758752 /nfs/dbraw/zinc/75/87/52/1066758752.db2.gz KRPWFCQGWFIGGR-STZFKDTASA-N 0 0 515.580 4.922 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408990377 1066758759 /nfs/dbraw/zinc/75/87/59/1066758759.db2.gz XGTHVWDFVDJTSG-LMSRTUJASA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408990379 1066758774 /nfs/dbraw/zinc/75/87/74/1066758774.db2.gz XGTHVWDFVDJTSG-RISWYLRJSA-N 0 0 613.530 4.533 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408990410 1066758735 /nfs/dbraw/zinc/75/87/35/1066758735.db2.gz VRDBEKFIFLMHAR-LMKKRCETSA-N 0 0 555.055 4.601 40 30 KJEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408990411 1066758782 /nfs/dbraw/zinc/75/87/82/1066758782.db2.gz VRDBEKFIFLMHAR-YMWOEAMWSA-N 0 0 555.055 4.601 40 30 KJEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000408990756 1066757860 /nfs/dbraw/zinc/75/78/60/1066757860.db2.gz LRCNAJWAHSAEKM-ZHZULCJRSA-N 0 0 501.553 4.613 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408991056 1066295765 /nfs/dbraw/zinc/29/57/65/1066295765.db2.gz YWMKCZUTZGLAHJ-AHQATDLNSA-N 0 0 659.558 4.727 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408991058 1066757720 /nfs/dbraw/zinc/75/77/20/1066757720.db2.gz YWMKCZUTZGLAHJ-AYTQJLEDSA-N 0 0 659.558 4.727 40 30 KJEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408992178 1066756957 /nfs/dbraw/zinc/75/69/57/1066756957.db2.gz ZYHPNGYYZYHZKU-LMKKRCETSA-N 0 0 555.055 4.601 40 30 KJEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408992180 1066757018 /nfs/dbraw/zinc/75/70/18/1066757018.db2.gz ZYHPNGYYZYHZKU-YMWOEAMWSA-N 0 0 555.055 4.601 40 30 KJEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)S2)cc1[N+](=O)[O-] ZINC000408992980 1066756334 /nfs/dbraw/zinc/75/63/34/1066756334.db2.gz UIBXOUKCXQYJCY-PDGQHHTCSA-N 0 0 505.541 4.515 40 30 KJEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)S2)cc([N+](=O)[O-])c1C ZINC000408993913 1066297660 /nfs/dbraw/zinc/29/76/60/1066297660.db2.gz YCJKULYPHVSFSS-UNOMPAQXSA-N 0 0 519.568 4.823 40 30 KJEBRN CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408993946 1066755920 /nfs/dbraw/zinc/75/59/20/1066755920.db2.gz XQBLPHFYRSVUFC-JOCHJYFZSA-N 0 0 542.483 4.658 40 30 KJEBRN CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408993948 1066755816 /nfs/dbraw/zinc/75/58/16/1066755816.db2.gz XQBLPHFYRSVUFC-QFIPXVFZSA-N 0 0 542.483 4.658 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408994641 1066755570 /nfs/dbraw/zinc/75/55/70/1066755570.db2.gz IIAYWSPDPUDNMX-XIHDXPBISA-N 0 0 626.760 4.747 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408994644 1066755827 /nfs/dbraw/zinc/75/58/27/1066755827.db2.gz IIAYWSPDPUDNMX-ZTJHJZSNSA-N 0 0 626.760 4.747 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OC)c(OCC(=O)OC)cc2Br)C1=O ZINC000408995170 1066755534 /nfs/dbraw/zinc/75/55/34/1066755534.db2.gz AJKSRQXTICPRRB-ODLFYWEKSA-N 0 0 548.411 4.553 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OC)c(OCC#N)cc2Br)C1=O ZINC000408995255 1066296552 /nfs/dbraw/zinc/29/65/52/1066296552.db2.gz BDPSGRVPZCHLAA-UNOMPAQXSA-N 0 0 515.385 4.904 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1OC ZINC000408995643 1066755527 /nfs/dbraw/zinc/75/55/27/1066755527.db2.gz CXWNRSWXMKCJNY-NDENLUEZSA-N 0 0 562.438 4.943 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1OC ZINC000408995719 1066762112 /nfs/dbraw/zinc/76/21/12/1066762112.db2.gz DJVTWKXMBMBHTE-UYRXBGFRSA-N 0 0 609.438 4.785 40 30 KJEBRN CCOC(=O)COc1ccc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1Br ZINC000408995790 1066296617 /nfs/dbraw/zinc/29/66/17/1066296617.db2.gz DTMUOXJSWWFNTP-UYRXBGFRSA-N 0 0 532.412 4.935 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OCC)c(OCC(=O)OC)cc2Br)C1=O ZINC000408995908 1066296756 /nfs/dbraw/zinc/29/67/56/1066296756.db2.gz FQHIGHLPPBYNOH-NDENLUEZSA-N 0 0 562.438 4.943 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cccc(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408996179 1066762022 /nfs/dbraw/zinc/76/20/22/1066762022.db2.gz LHIBVFLOXWZZLH-UOOXJCEYSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cccc(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408996180 1066296495 /nfs/dbraw/zinc/29/64/95/1066296495.db2.gz LHIBVFLOXWZZLH-ZMVORIFESA-N 0 0 552.652 4.509 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)C1=O ZINC000408996294 1066762030 /nfs/dbraw/zinc/76/20/30/1066762030.db2.gz HFXYFBUFKGMTEL-JLPGSUDCSA-N 0 0 516.525 4.729 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCC(=O)OC)c(I)c2)C1=O ZINC000408996522 1066762105 /nfs/dbraw/zinc/76/21/05/1066762105.db2.gz INFFDOVEWHFMIT-BOPFTXTBSA-N 0 0 691.281 4.991 40 30 KJEBRN CCOC(=O)COc1ccc(Br)cc1C=C1SC(Nc2ccccc2)=C(C(=O)OCC)C1=O ZINC000408996548 1066762096 /nfs/dbraw/zinc/76/20/96/1066762096.db2.gz IRUUXNXYJWBAFA-UYRXBGFRSA-N 0 0 532.412 4.935 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)C1=O ZINC000408996897 1066761640 /nfs/dbraw/zinc/76/16/40/1066761640.db2.gz FJJZNYAXKNHWHA-XYGWBWBKSA-N 0 0 516.981 4.912 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(OCC)c1O ZINC000408997120 1066761685 /nfs/dbraw/zinc/76/16/85/1066761685.db2.gz RHLZCULHVLYVRS-SVXDAGRPSA-N 0 0 626.731 4.786 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(OCC)c1O ZINC000408997121 1066297300 /nfs/dbraw/zinc/29/73/00/1066297300.db2.gz RHLZCULHVLYVRS-URFJJRPFSA-N 0 0 626.731 4.786 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OC)c(I)c2)C1=O ZINC000408997307 1066768458 /nfs/dbraw/zinc/76/84/58/1066768458.db2.gz MOWPCINVWWKLBV-ATVHPVEESA-N 0 0 507.349 4.843 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1OC ZINC000408997616 1066768420 /nfs/dbraw/zinc/76/84/20/1066768420.db2.gz NNLZKSKWHXPPKF-UYRXBGFRSA-N 0 0 562.438 4.943 40 30 KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408997883 1066296534 /nfs/dbraw/zinc/29/65/34/1066296534.db2.gz OUTNODVKNKZDRJ-GJFKPFFXSA-N 0 0 562.489 4.702 40 30 KJEBRN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408997884 1066767824 /nfs/dbraw/zinc/76/78/24/1066767824.db2.gz OUTNODVKNKZDRJ-LWUPDDLQSA-N 0 0 562.489 4.702 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408997958 1066767810 /nfs/dbraw/zinc/76/78/10/1066767810.db2.gz PIADAKGWOGDNMQ-AHQATDLNSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408997960 1066767816 /nfs/dbraw/zinc/76/78/16/1066767816.db2.gz PIADAKGWOGDNMQ-AYTQJLEDSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(OCC)c1O ZINC000408998386 1066298533 /nfs/dbraw/zinc/29/85/33/1066298533.db2.gz IYWWOJNLCHHGKM-PVPFEYIBSA-N 0 0 596.705 4.777 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(OCC)c1O ZINC000408998392 1066767773 /nfs/dbraw/zinc/76/77/73/1066767773.db2.gz IYWWOJNLCHHGKM-WYQLEPPDSA-N 0 0 596.705 4.777 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(OCC#N)c(OC)c2)C1=O ZINC000408998587 1066298613 /nfs/dbraw/zinc/29/86/13/1066298613.db2.gz RIZMCXUGNILXMR-AQTBWJFISA-N 0 0 515.385 4.904 40 30 KJEBRN C#CCOc1ccc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1I ZINC000408998703 1066298589 /nfs/dbraw/zinc/29/85/89/1066298589.db2.gz BUXANVXQGKBUPV-RGEXLXHISA-N 0 0 531.371 4.847 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OC)c(OC)c2)C1=O ZINC000408998815 1066767395 /nfs/dbraw/zinc/76/73/95/1066767395.db2.gz SGUFKRYKCKYKFZ-ATVHPVEESA-N 0 0 537.375 4.852 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)C1=O ZINC000408999326 1066767276 /nfs/dbraw/zinc/76/72/76/1066767276.db2.gz UTRFXERPORRNTF-PKAZHMFMSA-N 0 0 510.590 4.876 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(OCC)c1O ZINC000408999350 1066767373 /nfs/dbraw/zinc/76/73/73/1066767373.db2.gz KOEQDWGILYHSJM-UOOXJCEYSA-N 0 0 566.679 4.768 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc(OCC)c1O ZINC000408999353 1066767304 /nfs/dbraw/zinc/76/73/04/1066767304.db2.gz KOEQDWGILYHSJM-ZMVORIFESA-N 0 0 566.679 4.768 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Cl)c(OCC(=O)OC)c(OCC)c2)C1=O ZINC000409000008 1066766836 /nfs/dbraw/zinc/76/68/36/1066766836.db2.gz WOSPDHUBSMHEDN-UYRXBGFRSA-N 0 0 517.987 4.834 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCC#N)c(OC)c2)C1=O ZINC000409000049 1066298910 /nfs/dbraw/zinc/29/89/10/1066298910.db2.gz DNHPAVGRQMEACT-AQTBWJFISA-N 0 0 562.385 4.746 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)ccc2OCC(=O)OC)C1=O ZINC000409000066 1066299026 /nfs/dbraw/zinc/29/90/26/1066299026.db2.gz DOBOKMAURSWNGD-PDGQHHTCSA-N 0 0 518.385 4.545 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(OCC(=O)OC)c(OCC)c2)C1=O ZINC000409000101 1066766774 /nfs/dbraw/zinc/76/67/74/1066766774.db2.gz DQYAGWZOBSTTSK-UYRXBGFRSA-N 0 0 562.438 4.943 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409000470 1066766844 /nfs/dbraw/zinc/76/68/44/1066766844.db2.gz YJFQQABKOWTLRY-CVGPFBNFSA-N 0 0 618.347 4.888 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409000473 1066766786 /nfs/dbraw/zinc/76/67/86/1066766786.db2.gz YJFQQABKOWTLRY-LJJBLSSYSA-N 0 0 618.347 4.888 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(OCC(=O)OC)c(OC)c2)C1=O ZINC000409000537 1066299067 /nfs/dbraw/zinc/29/90/67/1066299067.db2.gz YPPQMDBHDGDHEF-PDGQHHTCSA-N 0 0 548.411 4.553 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1OC ZINC000409000674 1066766321 /nfs/dbraw/zinc/76/63/21/1066766321.db2.gz ZLUYMVNHUMYHTG-UYRXBGFRSA-N 0 0 517.987 4.834 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCC(=O)OC)c(Br)c2)C1=O ZINC000409000687 1066766735 /nfs/dbraw/zinc/76/67/35/1066766735.db2.gz ZNOOWXCOPIUMQF-PDGQHHTCSA-N 0 0 518.385 4.545 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000409001223 1066766367 /nfs/dbraw/zinc/76/63/67/1066766367.db2.gz VOFXZJJDJBRALH-AHQATDLNSA-N 0 0 552.652 4.509 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000409001224 1066299808 /nfs/dbraw/zinc/29/98/08/1066299808.db2.gz VOFXZJJDJBRALH-AYTQJLEDSA-N 0 0 552.652 4.509 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCC#N)c(I)c2)C1=O ZINC000409001490 1066766330 /nfs/dbraw/zinc/76/63/30/1066766330.db2.gz ISFVPSXJNZUIQB-AQTBWJFISA-N 0 0 532.359 4.737 40 30 KJEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)C1=O ZINC000409002391 1066765374 /nfs/dbraw/zinc/76/53/74/1066765374.db2.gz UGBOSBZJSPKAPX-XYGWBWBKSA-N 0 0 516.525 4.729 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000409002567 1066765330 /nfs/dbraw/zinc/76/53/30/1066765330.db2.gz VBZQGQIURBYKEK-CLNXTWJPSA-N 0 0 582.678 4.518 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000409002568 1066765198 /nfs/dbraw/zinc/76/51/98/1066765198.db2.gz VBZQGQIURBYKEK-ZHGFHMGHSA-N 0 0 582.678 4.518 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCC(=O)OC)c(OCC)c2)C1=O ZINC000409002631 1066765282 /nfs/dbraw/zinc/76/52/82/1066765282.db2.gz OTSUAWHNAQYSGY-UYRXBGFRSA-N 0 0 609.438 4.785 40 30 KJEBRN CCOC(=O)COc1ccc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1I ZINC000409003022 1066764862 /nfs/dbraw/zinc/76/48/62/1066764862.db2.gz QRADSOLTUSKGEG-UYRXBGFRSA-N 0 0 579.412 4.777 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000409004541 1066763883 /nfs/dbraw/zinc/76/38/83/1066763883.db2.gz BMYVDFQCKWQPRV-QNGOZBTKSA-N 0 0 503.536 4.555 40 30 KJEBRN CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)NC1=S ZINC000409004945 1066763972 /nfs/dbraw/zinc/76/39/72/1066763972.db2.gz CMCNFVCVJVZZGF-MFOYZWKCSA-N 0 0 521.234 4.740 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(O)c(OCC)c2)C1=O ZINC000409005126 1066763450 /nfs/dbraw/zinc/76/34/50/1066763450.db2.gz ZHWNPDNTLZOZCT-ATVHPVEESA-N 0 0 537.375 4.939 40 30 KJEBRN CCOc1cc(/C=N/NC(N)=S)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409005187 1066763466 /nfs/dbraw/zinc/76/34/66/1066763466.db2.gz DHNATRWCGIPBIP-OKCVXOCRSA-N 0 0 506.672 4.738 40 30 KJEBRN C#CCOc1c(I)cc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1OC ZINC000409005402 1066299528 /nfs/dbraw/zinc/29/95/28/1066299528.db2.gz ZUHQTQQDZLTTIF-RGEXLXHISA-N 0 0 561.397 4.855 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(OC)c(Br)c2)C1=O ZINC000409005460 1066763550 /nfs/dbraw/zinc/76/35/50/1066763550.db2.gz DONYJNHGFFQAID-PDGQHHTCSA-N 0 0 502.386 4.628 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)ccc2OCC#N)C1=O ZINC000409005515 1066299576 /nfs/dbraw/zinc/29/95/76/1066299576.db2.gz FHYNYQBTHUHHHB-UYRXBGFRSA-N 0 0 527.396 4.521 40 30 KJEBRN CCCOc1c(I)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000409005646 1066300279 /nfs/dbraw/zinc/30/02/79/1066300279.db2.gz FZWWVDIAECFSMR-LDADJPATSA-N 0 0 524.380 4.989 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)ccc2OC)C1=O ZINC000409005831 1066300178 /nfs/dbraw/zinc/30/01/78/1066300178.db2.gz GNDXXJUCTXZENG-PDGQHHTCSA-N 0 0 502.386 4.628 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)S2)cc1 ZINC000409005923 1066762975 /nfs/dbraw/zinc/76/29/75/1066762975.db2.gz GOBZBALXEXLULD-BUVRLJJBSA-N 0 0 519.579 4.622 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409005932 1066763087 /nfs/dbraw/zinc/76/30/87/1066763087.db2.gz GOLLKXCSENYTGJ-CBYYHRJHSA-N 0 0 530.005 4.583 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409005935 1066763058 /nfs/dbraw/zinc/76/30/58/1066763058.db2.gz GOLLKXCSENYTGJ-PNZYDNNZSA-N 0 0 530.005 4.583 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(I)c(OC)c(OCC)c2)C1=O ZINC000409005997 1066763115 /nfs/dbraw/zinc/76/31/15/1066763115.db2.gz IAXHYQHTVRASPJ-UYRXBGFRSA-N 0 0 593.439 4.868 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O ZINC000409006318 1066762434 /nfs/dbraw/zinc/76/24/34/1066762434.db2.gz IXPYMBPZTSZWLZ-PDGQHHTCSA-N 0 0 532.412 4.636 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(OCC)c(O)cc2Br)C1=O ZINC000409006355 1066762516 /nfs/dbraw/zinc/76/25/16/1066762516.db2.gz JANQFNMRQYDUND-ODLFYWEKSA-N 0 0 532.412 4.723 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC ZINC000409006501 1066762548 /nfs/dbraw/zinc/76/25/48/1066762548.db2.gz KDDAPVGYUUMOBN-HKWRFOASSA-N 0 0 533.387 4.981 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(OC)c(OCC)cc2Cl)C1=O ZINC000409006667 1066762474 /nfs/dbraw/zinc/76/24/74/1066762474.db2.gz KKILFLKYERNXAQ-NDENLUEZSA-N 0 0 501.988 4.917 40 30 KJEBRN CCCOc1c(I)cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1OC ZINC000409006721 1066762364 /nfs/dbraw/zinc/76/23/64/1066762364.db2.gz KJKWCNJVTWHPQU-BHGWPJFGSA-N 0 0 523.396 4.621 40 30 KJEBRN CCOc1cc(/C=N/n2cnnc2)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409006723 1066762602 /nfs/dbraw/zinc/76/26/02/1066762602.db2.gz KKADCIDEMDGBPQ-JQAMDZJQSA-N 0 0 551.239 4.718 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)S2)cc1 ZINC000409006756 1066300391 /nfs/dbraw/zinc/30/03/91/1066300391.db2.gz KSPSNYVGMNRYTR-IWIPYMOSSA-N 0 0 503.580 4.921 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O ZINC000409007029 1066762418 /nfs/dbraw/zinc/76/24/18/1066762418.db2.gz MXJHFLNSNKCWIL-CFRMEGHHSA-N 0 0 530.602 4.993 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(I)c(OCC)c(OC)c2)C1=O ZINC000409007041 1066762573 /nfs/dbraw/zinc/76/25/73/1066762573.db2.gz NCXDMVTWIOFQRD-UYRXBGFRSA-N 0 0 593.439 4.868 40 30 KJEBRN COc1cc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409007080 1066762527 /nfs/dbraw/zinc/76/25/27/1066762527.db2.gz MUTAVRSSDZGLSG-NUJZUDFISA-N 0 0 502.596 4.554 40 30 KJEBRN COc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCC(=O)Nc1ccccc1C ZINC000409007257 1066762486 /nfs/dbraw/zinc/76/24/86/1066762486.db2.gz NHFOIPYCGKPGKG-IPPBACCNSA-N 0 0 502.596 4.554 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)c(OC)cc2OC)C1=O ZINC000409007334 1066774989 /nfs/dbraw/zinc/77/49/89/1066774989.db2.gz PKGVJXAYJPLUQK-ODLFYWEKSA-N 0 0 532.412 4.636 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(OC)c(OC)cc2Br)C1=O ZINC000409007466 1066300779 /nfs/dbraw/zinc/30/07/79/1066300779.db2.gz QJZAMPWINFQSHC-ODLFYWEKSA-N 0 0 532.412 4.636 40 30 KJEBRN COc1cc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409007562 1066300870 /nfs/dbraw/zinc/30/08/70/1066300870.db2.gz PEAGPLODOICCHP-NUJZUDFISA-N 0 0 502.596 4.554 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(NC(=O)c3ccc(C)cc3)=C(C(=O)OCC)C2=O)cc1OC ZINC000409007832 1066300904 /nfs/dbraw/zinc/30/09/04/1066300904.db2.gz SQEICMSLKMXPIK-ZHZULCJRSA-N 0 0 556.434 4.640 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(NC(=O)c2ccc(C)cc2)=C(C(=O)OCC)C1=O ZINC000409007835 1066774595 /nfs/dbraw/zinc/77/45/95/1066774595.db2.gz SQSJJWLLDCUBQB-ZHZULCJRSA-N 0 0 526.408 4.631 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(I)c(O)c(OCC)c2)C1=O ZINC000409008210 1066299675 /nfs/dbraw/zinc/29/96/75/1066299675.db2.gz WNEZTSLRRGBBFL-PDGQHHTCSA-N 0 0 579.412 4.565 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)c(O)c(OCC)c2)C1=O ZINC000409008266 1066300122 /nfs/dbraw/zinc/30/01/22/1066300122.db2.gz XLSQLDVCVKZVFT-PDGQHHTCSA-N 0 0 532.412 4.723 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)S2)cc1 ZINC000409008476 1066774533 /nfs/dbraw/zinc/77/45/33/1066774533.db2.gz WVJPLDXPAFWXJF-BUVRLJJBSA-N 0 0 503.580 4.921 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)cc(OCC)c2O)C1=O ZINC000409008530 1066302329 /nfs/dbraw/zinc/30/23/29/1066302329.db2.gz ZRPKKKFNROZELP-WQRHYEAKSA-N 0 0 532.412 4.723 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=C2\SC(NC(=O)c3ccc(C)cc3)=C(C(=O)OCC)C2=O)cc1OC ZINC000409008541 1066302173 /nfs/dbraw/zinc/30/21/73/1066302173.db2.gz ZYNRUTODUKJHMC-ZHZULCJRSA-N 0 0 511.983 4.531 40 30 KJEBRN CCOc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409008689 1066774631 /nfs/dbraw/zinc/77/46/31/1066774631.db2.gz ZYCAZBVSOZPCQX-FJEPWZHXSA-N 0 0 516.623 4.944 40 30 KJEBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409009419 1066774088 /nfs/dbraw/zinc/77/40/88/1066774088.db2.gz FMYDSGSKBADXMH-BXHPTCRHSA-N 0 0 564.889 4.964 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1I ZINC000409009585 1066773774 /nfs/dbraw/zinc/77/37/74/1066773774.db2.gz GLTRTMDVWROTLL-LICLKQGHSA-N 0 0 604.157 4.693 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409009621 1066773835 /nfs/dbraw/zinc/77/38/35/1066773835.db2.gz GZIVSTMQOCZCRL-CIAFOILYSA-N 0 0 551.340 4.848 40 30 KJEBRN CCOc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1C ZINC000409010437 1066773828 /nfs/dbraw/zinc/77/38/28/1066773828.db2.gz DXPLIKRVSBJEFR-MIXAMLLLSA-N 0 0 517.607 4.877 40 30 KJEBRN CN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409011166 1066773267 /nfs/dbraw/zinc/77/32/67/1066773267.db2.gz MNZZSISTWVJDFJ-KTAJVBQSSA-N 0 0 550.862 4.574 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1I ZINC000409011608 1066772809 /nfs/dbraw/zinc/77/28/09/1066772809.db2.gz NWLNMZXLLFQEMC-LFIBNONCSA-N 0 0 572.140 4.558 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1ccccc1C#N ZINC000409011638 1066772873 /nfs/dbraw/zinc/77/28/73/1066772873.db2.gz OBRWQKWNFMTMOH-MTDXEUNCSA-N 0 0 568.655 4.531 40 30 KJEBRN CCOc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1OC ZINC000409011711 1066772758 /nfs/dbraw/zinc/77/27/58/1066772758.db2.gz HGIHTSDLSQYGQK-MIXAMLLLSA-N 0 0 533.606 4.577 40 30 KJEBRN N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1I ZINC000409011871 1066772940 /nfs/dbraw/zinc/77/29/40/1066772940.db2.gz ORVREGRNOJTLNN-WSDLNYQXSA-N 0 0 553.331 4.974 40 30 KJEBRN COc1cc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409011985 1066772434 /nfs/dbraw/zinc/77/24/34/1066772434.db2.gz PNVXPJLBXBUNNQ-UILYKIRISA-N 0 0 580.888 4.583 40 30 KJEBRN N#Cc1ccccc1Cn1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c2ccccc21 ZINC000409012931 1066771984 /nfs/dbraw/zinc/77/19/84/1066771984.db2.gz LPVLWIBJAWCFFZ-RDRPBHBLSA-N 0 0 561.667 4.946 40 30 KJEBRN CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409013757 1066301016 /nfs/dbraw/zinc/30/10/16/1066301016.db2.gz VDQLHTOVDVACCI-DNYAEFPPSA-N 0 0 594.915 4.973 40 30 KJEBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409013952 1066771105 /nfs/dbraw/zinc/77/11/05/1066771105.db2.gz OBLVYGNCVBNZHG-HXJASHHUSA-N 0 0 515.385 4.888 40 30 KJEBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409013953 1066770973 /nfs/dbraw/zinc/77/09/73/1066770973.db2.gz OBLVYGNCVBNZHG-XLTHYULKSA-N 0 0 515.385 4.888 40 30 KJEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409014436 1066303430 /nfs/dbraw/zinc/30/34/30/1066303430.db2.gz PSWLZMYFRQYMGT-DNYAEFPPSA-N 0 0 594.915 4.973 40 30 KJEBRN CCOc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409014851 1066770569 /nfs/dbraw/zinc/77/05/69/1066770569.db2.gz QKBWDMDMHSDYMQ-MIXAMLLLSA-N 0 0 517.607 4.877 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OCC)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409014965 1066770395 /nfs/dbraw/zinc/77/03/95/1066770395.db2.gz QZXJMWTUQWRIBA-CAUNFOBBSA-N 0 0 526.567 4.899 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OCC)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409014967 1066770543 /nfs/dbraw/zinc/77/05/43/1066770543.db2.gz QZXJMWTUQWRIBA-SITPEIFSSA-N 0 0 526.567 4.899 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1Br ZINC000409015965 1066769423 /nfs/dbraw/zinc/76/94/23/1066769423.db2.gz PZQJWMWUMPPUMF-OWXSRONMSA-N 0 0 722.452 4.922 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1Br ZINC000409015967 1066303169 /nfs/dbraw/zinc/30/31/69/1066303169.db2.gz PZQJWMWUMPPUMF-ZMIGGIFCSA-N 0 0 722.452 4.922 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409017458 1066784466 /nfs/dbraw/zinc/78/44/66/1066784466.db2.gz WUAHPEABQFOIIG-SSDVNMTOSA-N 0 0 583.357 4.982 40 30 KJEBRN CCOc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCC(=O)Nc1ccccc1OC ZINC000409018658 1066302781 /nfs/dbraw/zinc/30/27/81/1066302781.db2.gz HYVNEYLXNCBTKI-FJEPWZHXSA-N 0 0 532.622 4.644 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1Br ZINC000409019330 1066782653 /nfs/dbraw/zinc/78/26/53/1066782653.db2.gz YTOXODPIUZSLSR-RCCKNPSSSA-N 0 0 619.335 4.609 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Br ZINC000409021345 1066781386 /nfs/dbraw/zinc/78/13/86/1066781386.db2.gz CMDVRZGADAQLQL-WQRHYEAKSA-N 0 0 549.219 4.616 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409021489 1066781330 /nfs/dbraw/zinc/78/13/30/1066781330.db2.gz KBXMIGOEILUSHT-FSJBWODESA-N 0 0 530.968 4.639 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1I ZINC000409021683 1066780894 /nfs/dbraw/zinc/78/08/94/1066780894.db2.gz TXADDSNCXFOINJ-MDWZMJQESA-N 0 0 555.175 4.905 40 30 KJEBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409021944 1066780861 /nfs/dbraw/zinc/78/08/61/1066780861.db2.gz AUZVDINMGCPJQP-YDZHTSKRSA-N 0 0 513.623 4.746 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409022239 1066780355 /nfs/dbraw/zinc/78/03/55/1066780355.db2.gz KLAOVOQSOBHOAL-FSJBWODESA-N 0 0 622.419 4.590 40 30 KJEBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3ccccc3C#N)C2=O)cc1 ZINC000409022516 1066779842 /nfs/dbraw/zinc/77/98/42/1066779842.db2.gz ACMMZLXNWQZWKV-YDZHTSKRSA-N 0 0 545.393 4.740 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409022561 1066779830 /nfs/dbraw/zinc/77/98/30/1066779830.db2.gz BAWVPNNKUKFUCB-FSJBWODESA-N 0 0 575.419 4.748 40 30 KJEBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000409023023 1066779415 /nfs/dbraw/zinc/77/94/15/1066779415.db2.gz BDQIQZUGLUGZKY-CVKSISIWSA-N 0 0 503.562 4.710 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409024708 1066777449 /nfs/dbraw/zinc/77/74/49/1066777449.db2.gz UZMCPYDUMJKDIR-PCLIKHOPSA-N 0 0 511.578 4.843 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cc(Br)ccc1OC)C(C(=O)OCC)=C(CCC)N=2 ZINC000409029399 1066796346 /nfs/dbraw/zinc/79/63/46/1066796346.db2.gz ALQRQCGXUMHUII-MKWGYRPRSA-N 0 0 597.531 4.914 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cc(Br)ccc1OC)C(C(=O)OCC)=C(CCC)N=2 ZINC000409029400 1066305426 /nfs/dbraw/zinc/30/54/26/1066305426.db2.gz ALQRQCGXUMHUII-OCEWKHMESA-N 0 0 597.531 4.914 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409029532 1066796477 /nfs/dbraw/zinc/79/64/77/1066796477.db2.gz BJHMADSZEUWYNJ-RAWKODRKSA-N 0 0 566.679 4.751 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409029534 1066796332 /nfs/dbraw/zinc/79/63/32/1066796332.db2.gz BJHMADSZEUWYNJ-XGLKJEJJSA-N 0 0 566.679 4.751 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4C#N)cc3Br)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409029566 1066796037 /nfs/dbraw/zinc/79/60/37/1066796037.db2.gz BOYINOXAKWVNOF-MPFQUICJSA-N 0 0 776.662 4.971 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4C#N)cc3Br)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409029569 1066795981 /nfs/dbraw/zinc/79/59/81/1066795981.db2.gz BOYINOXAKWVNOF-PJHFUMONSA-N 0 0 776.662 4.971 40 30 KJEBRN C=CCOc1cc(Br)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409029623 1066796064 /nfs/dbraw/zinc/79/60/64/1066796064.db2.gz BYYQPSIDAPMKMS-UPWSPCOFSA-N 0 0 657.583 4.930 40 30 KJEBRN C=CCOc1cc(Br)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409029625 1066795988 /nfs/dbraw/zinc/79/59/88/1066795988.db2.gz BYYQPSIDAPMKMS-ZJTZAHLKSA-N 0 0 657.583 4.930 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409029839 1066795964 /nfs/dbraw/zinc/79/59/64/1066795964.db2.gz CONWEPMWITXMCP-PKYOQBLNSA-N 0 0 592.714 4.558 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409029840 1066306468 /nfs/dbraw/zinc/30/64/68/1066306468.db2.gz CONWEPMWITXMCP-USDTVRPUSA-N 0 0 592.714 4.558 40 30 KJEBRN C=CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409029855 1066795522 /nfs/dbraw/zinc/79/55/22/1066795522.db2.gz BSZQGZLUOVRWKE-NTWBUQQASA-N 0 0 510.615 4.516 40 30 KJEBRN C=CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409029856 1066306301 /nfs/dbraw/zinc/30/63/01/1066306301.db2.gz BSZQGZLUOVRWKE-XKGHIZKOSA-N 0 0 510.615 4.516 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000409029888 1066795555 /nfs/dbraw/zinc/79/55/55/1066795555.db2.gz CUZYTHJHMHTEBE-JAYSWQADSA-N 0 0 672.554 4.830 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000409029890 1066795509 /nfs/dbraw/zinc/79/55/09/1066795509.db2.gz CUZYTHJHMHTEBE-KEQCBNTKSA-N 0 0 672.554 4.830 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409029927 1066795583 /nfs/dbraw/zinc/79/55/83/1066795583.db2.gz DDNWDPNGSMRXDB-CJIXEESDSA-N 0 0 844.462 4.523 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409029928 1066795482 /nfs/dbraw/zinc/79/54/82/1066795482.db2.gz DDNWDPNGSMRXDB-ZDZYTSRMSA-N 0 0 844.462 4.523 40 30 KJEBRN C=CCOc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc(I)cc1OC ZINC000409030043 1066307080 /nfs/dbraw/zinc/30/70/80/1066307080.db2.gz BWNOCDGKHXUZMU-HCGXMYGOSA-N 0 0 500.152 4.579 40 30 KJEBRN N#CCOc1c(I)cc(I)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409030259 1066795116 /nfs/dbraw/zinc/79/51/16/1066795116.db2.gz CRPYBWJPYZYRJH-MUDSWDHVSA-N 0 0 594.994 4.512 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1I ZINC000409030271 1066306830 /nfs/dbraw/zinc/30/68/30/1066306830.db2.gz FBDUMVXFQPSCMQ-FBHQFGEZSA-N 0 0 665.347 4.730 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1I ZINC000409030273 1066306813 /nfs/dbraw/zinc/30/68/13/1066306813.db2.gz FBDUMVXFQPSCMQ-PZHBDVNGSA-N 0 0 665.347 4.730 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)cc(OC)c3OCc3ccc(C#N)cc3)sc2=N1 ZINC000409030298 1066794795 /nfs/dbraw/zinc/79/47/95/1066794795.db2.gz FFBZOLPYTOJYMO-JBDHCHCMSA-N 0 0 691.547 4.862 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)cc(OC)c3OCc3ccc(C#N)cc3)sc2=N1 ZINC000409030300 1066794699 /nfs/dbraw/zinc/79/46/99/1066794699.db2.gz FFBZOLPYTOJYMO-PIXWUVMMSA-N 0 0 691.547 4.862 40 30 KJEBRN CC(=O)Oc1c(I)cc(I)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409030510 1066794826 /nfs/dbraw/zinc/79/48/26/1066794826.db2.gz GAEVLPBMVUSMKM-LKNXVUQUSA-N 0 0 597.994 4.535 40 30 KJEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000409030831 1066794372 /nfs/dbraw/zinc/79/43/72/1066794372.db2.gz ICGUXYLDJWPHCE-HRIDGTDGSA-N 0 0 571.699 4.735 40 30 KJEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000409030834 1066306846 /nfs/dbraw/zinc/30/68/46/1066306846.db2.gz ICGUXYLDJWPHCE-NULZLWRNSA-N 0 0 571.699 4.735 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409030835 1066794303 /nfs/dbraw/zinc/79/43/03/1066794303.db2.gz FRLQEWDPFBFASE-FUFNRSNVSA-N 0 0 716.594 4.609 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409030838 1066794340 /nfs/dbraw/zinc/79/43/40/1066794340.db2.gz FRLQEWDPFBFASE-PRLWALMFSA-N 0 0 716.594 4.609 40 30 KJEBRN C#CCOc1c(I)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1I ZINC000409030965 1066307473 /nfs/dbraw/zinc/30/74/73/1066307473.db2.gz FXEKUXGZRFHBPQ-OUBWWKSTSA-N 0 0 594.006 4.622 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031024 1066793847 /nfs/dbraw/zinc/79/38/47/1066793847.db2.gz GARHNYQICVFZDF-CFPUELQSSA-N 0 0 746.636 4.962 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031028 1066793888 /nfs/dbraw/zinc/79/38/88/1066793888.db2.gz GARHNYQICVFZDF-KDDCWKTLSA-N 0 0 746.636 4.962 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031400 1066793503 /nfs/dbraw/zinc/79/35/03/1066793503.db2.gz ALPLKNDYZZBRSL-GHLYMGRZSA-N 0 0 823.662 4.813 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031401 1066793367 /nfs/dbraw/zinc/79/33/67/1066793367.db2.gz ALPLKNDYZZBRSL-MLCIDIQUSA-N 0 0 823.662 4.813 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409031440 1066793925 /nfs/dbraw/zinc/79/39/25/1066793925.db2.gz AQZNBGYZBSKXPZ-ASZHOJRSSA-N 0 0 844.462 4.523 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409031442 1066793821 /nfs/dbraw/zinc/79/38/21/1066793821.db2.gz AQZNBGYZBSKXPZ-RNECYNAXSA-N 0 0 844.462 4.523 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409031655 1066793077 /nfs/dbraw/zinc/79/30/77/1066793077.db2.gz JWSBAVMUWPZFDZ-IMEWXKHHSA-N 0 0 712.347 4.572 40 30 KJEBRN C=CCOc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409031657 1066792925 /nfs/dbraw/zinc/79/29/25/1066792925.db2.gz JWSBAVMUWPZFDZ-WVWKGNOCSA-N 0 0 712.347 4.572 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409031712 1066793405 /nfs/dbraw/zinc/79/34/05/1066793405.db2.gz KLPAABWCQMCHQW-GVMLUORFSA-N 0 0 706.986 4.866 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409031713 1066307344 /nfs/dbraw/zinc/30/73/44/1066307344.db2.gz KLPAABWCQMCHQW-KMBIYUNPSA-N 0 0 706.986 4.866 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)sc2=N1 ZINC000409031764 1066793102 /nfs/dbraw/zinc/79/31/02/1066793102.db2.gz AZKUTVHLXAUXPP-LCQSEVKBSA-N 0 0 570.070 4.902 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)sc2=N1 ZINC000409031765 1066792981 /nfs/dbraw/zinc/79/29/81/1066792981.db2.gz AZKUTVHLXAUXPP-UQDCTOEPSA-N 0 0 570.070 4.902 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409031820 1066793065 /nfs/dbraw/zinc/79/30/65/1066793065.db2.gz BMMXXSUHCZQDIY-CUJVHFRDSA-N 0 0 727.792 4.965 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409031821 1066792881 /nfs/dbraw/zinc/79/28/81/1066792881.db2.gz BMMXXSUHCZQDIY-ZGGSADGGSA-N 0 0 727.792 4.965 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409032096 1066792631 /nfs/dbraw/zinc/79/26/31/1066792631.db2.gz IVAADSWEKDDCBP-QARYAGPDSA-N 0 0 798.437 4.815 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409032098 1066307357 /nfs/dbraw/zinc/30/73/57/1066307357.db2.gz IVAADSWEKDDCBP-ZSJKCPIUSA-N 0 0 798.437 4.815 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4C#N)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032160 1066792524 /nfs/dbraw/zinc/79/25/24/1066792524.db2.gz KYYCWUJIIRGNAS-PANBRXNZSA-N 0 0 791.633 4.870 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4C#N)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032161 1066792656 /nfs/dbraw/zinc/79/26/56/1066792656.db2.gz KYYCWUJIIRGNAS-XXNQQEORSA-N 0 0 791.633 4.870 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032210 1066792211 /nfs/dbraw/zinc/79/22/11/1066792211.db2.gz LQKGWLMMYHDKCV-GHLYMGRZSA-N 0 0 776.662 4.971 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032211 1066792122 /nfs/dbraw/zinc/79/21/22/1066792122.db2.gz LQKGWLMMYHDKCV-MLCIDIQUSA-N 0 0 776.662 4.971 40 30 KJEBRN C=CCOc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409032310 1066792184 /nfs/dbraw/zinc/79/21/84/1066792184.db2.gz CLWQCJCCQPXRIO-IMEWXKHHSA-N 0 0 618.347 4.888 40 30 KJEBRN C=CCOc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409032311 1066792700 /nfs/dbraw/zinc/79/27/00/1066792700.db2.gz CLWQCJCCQPXRIO-WVWKGNOCSA-N 0 0 618.347 4.888 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032344 1066791775 /nfs/dbraw/zinc/79/17/75/1066791775.db2.gz CUYPNHNIXGGNJR-CFPUELQSSA-N 0 0 776.662 4.971 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032346 1066791757 /nfs/dbraw/zinc/79/17/57/1066791757.db2.gz CUYPNHNIXGGNJR-KDDCWKTLSA-N 0 0 776.662 4.971 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409032355 1066307936 /nfs/dbraw/zinc/30/79/36/1066307936.db2.gz ITRVXMJSHZEWDU-QARYAGPDSA-N 0 0 751.437 4.973 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409032357 1066792164 /nfs/dbraw/zinc/79/21/64/1066792164.db2.gz ITRVXMJSHZEWDU-ZSJKCPIUSA-N 0 0 751.437 4.973 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)ccc1OCC ZINC000409032443 1066792220 /nfs/dbraw/zinc/79/22/20/1066792220.db2.gz IZJGPSZIDSCVMX-PKYOQBLNSA-N 0 0 576.715 4.721 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)ccc1OCC ZINC000409032447 1066792195 /nfs/dbraw/zinc/79/21/95/1066792195.db2.gz IZJGPSZIDSCVMX-USDTVRPUSA-N 0 0 576.715 4.721 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000409032571 1066791710 /nfs/dbraw/zinc/79/17/10/1066791710.db2.gz CMLNASXNESJKGQ-CJIXEESDSA-N 0 0 661.560 4.620 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000409032574 1066307753 /nfs/dbraw/zinc/30/77/53/1066307753.db2.gz CMLNASXNESJKGQ-ZDZYTSRMSA-N 0 0 661.560 4.620 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OCC ZINC000409032687 1066307683 /nfs/dbraw/zinc/30/76/83/1066307683.db2.gz MLSGWAJCUREABU-AQTBWJFISA-N 0 0 520.392 4.859 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Cl)c(OCc4ccc(C#N)cc4)c(OC)c3)sc2=N1 ZINC000409032750 1066791742 /nfs/dbraw/zinc/79/17/42/1066791742.db2.gz NDZOTFOMRLLVJC-LCQSEVKBSA-N 0 0 600.096 4.911 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Cl)c(OCc4ccc(C#N)cc4)c(OC)c3)sc2=N1 ZINC000409032751 1066791840 /nfs/dbraw/zinc/79/18/40/1066791840.db2.gz NDZOTFOMRLLVJC-UQDCTOEPSA-N 0 0 600.096 4.911 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032775 1066791324 /nfs/dbraw/zinc/79/13/24/1066791324.db2.gz DGUJQNVHCGBREC-GHLYMGRZSA-N 0 0 823.662 4.813 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032776 1066791281 /nfs/dbraw/zinc/79/12/81/1066791281.db2.gz DGUJQNVHCGBREC-MLCIDIQUSA-N 0 0 823.662 4.813 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032884 1066791303 /nfs/dbraw/zinc/79/13/03/1066791303.db2.gz JRXGEAHXJJVVDS-JLHDDXNDSA-N 0 0 597.693 4.650 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032886 1066791370 /nfs/dbraw/zinc/79/13/70/1066791370.db2.gz JRXGEAHXJJVVDS-PYCBVSLESA-N 0 0 597.693 4.650 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032983 1066791310 /nfs/dbraw/zinc/79/13/10/1066791310.db2.gz KNUWVPMHMPLECN-FWWOIACNSA-N 0 0 746.636 4.962 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032987 1066791317 /nfs/dbraw/zinc/79/13/17/1066791317.db2.gz KNUWVPMHMPLECN-PNUVFATHSA-N 0 0 746.636 4.962 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032995 1066791405 /nfs/dbraw/zinc/79/14/05/1066791405.db2.gz KBWPXBOPSWEJLX-QBXSFHPBSA-N 0 0 690.778 4.623 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032999 1066791336 /nfs/dbraw/zinc/79/13/36/1066791336.db2.gz KBWPXBOPSWEJLX-XCHCAXAGSA-N 0 0 690.778 4.623 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC ZINC000409033041 1066307953 /nfs/dbraw/zinc/30/79/53/1066307953.db2.gz DGRLICUBGRIHPK-ONAMSPKSSA-N 0 0 513.204 4.504 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)sc2=N1 ZINC000409033246 1066790919 /nfs/dbraw/zinc/79/09/19/1066790919.db2.gz OGXOYKICIAQNBP-FUFNRSNVSA-N 0 0 600.096 4.911 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)sc2=N1 ZINC000409033247 1066791012 /nfs/dbraw/zinc/79/10/12/1066791012.db2.gz OGXOYKICIAQNBP-PRLWALMFSA-N 0 0 600.096 4.911 40 30 KJEBRN C=CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409033317 1066308379 /nfs/dbraw/zinc/30/83/79/1066308379.db2.gz LJASRWGMYLUHFO-QPJBPQEWSA-N 0 0 583.106 4.812 40 30 KJEBRN C=CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409033319 1066790848 /nfs/dbraw/zinc/79/08/48/1066790848.db2.gz LJASRWGMYLUHFO-QTTRZTASSA-N 0 0 583.106 4.812 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409033349 1066790927 /nfs/dbraw/zinc/79/09/27/1066790927.db2.gz LARWDJZJGGTOAE-ASZHOJRSSA-N 0 0 797.462 4.681 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409033352 1066790622 /nfs/dbraw/zinc/79/06/22/1066790622.db2.gz LARWDJZJGGTOAE-RNECYNAXSA-N 0 0 797.462 4.681 40 30 KJEBRN C#CCOc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)cc1OC ZINC000409033421 1066790595 /nfs/dbraw/zinc/79/05/95/1066790595.db2.gz FGIAJTXSAFJKAH-GHXNOFRVSA-N 0 0 562.232 4.813 40 30 KJEBRN COc1cc(I)cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OC(C)C ZINC000409033442 1066790958 /nfs/dbraw/zinc/79/09/58/1066790958.db2.gz LJCDNEZXLUAHTR-TXNBCWFRSA-N 0 0 502.168 4.801 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)c1 ZINC000409033532 1066790227 /nfs/dbraw/zinc/79/02/27/1066790227.db2.gz FLDQXISQOOQHKS-MKWGYRPRSA-N 0 0 597.531 4.914 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)c1 ZINC000409033535 1066790586 /nfs/dbraw/zinc/79/05/86/1066790586.db2.gz FLDQXISQOOQHKS-OCEWKHMESA-N 0 0 597.531 4.914 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)sc2=N1 ZINC000409033636 1066790591 /nfs/dbraw/zinc/79/05/91/1066790591.db2.gz FYVRWTJJZVRHDJ-OBDCIHEFSA-N 0 0 558.663 4.673 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)sc2=N1 ZINC000409033638 1066790578 /nfs/dbraw/zinc/79/05/78/1066790578.db2.gz FYVRWTJJZVRHDJ-SJXDCSIJSA-N 0 0 558.663 4.673 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409033691 1066790303 /nfs/dbraw/zinc/79/03/03/1066790303.db2.gz OUMVRQRBEDVTQW-MFCBUNOESA-N 0 0 674.557 4.764 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409033692 1066790248 /nfs/dbraw/zinc/79/02/48/1066790248.db2.gz OUMVRQRBEDVTQW-SUAMDDGLSA-N 0 0 674.557 4.764 40 30 KJEBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCC#N ZINC000409033741 1066790220 /nfs/dbraw/zinc/79/02/20/1066790220.db2.gz PHCVPPDCPLODBT-BJMVGYQFSA-N 0 0 516.220 4.862 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409033977 1066789922 /nfs/dbraw/zinc/78/99/22/1066789922.db2.gz GQIXIUUQHXSIQE-QPJBPQEWSA-N 0 0 583.106 4.814 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409033981 1066789768 /nfs/dbraw/zinc/78/97/68/1066789768.db2.gz GQIXIUUQHXSIQE-QTTRZTASSA-N 0 0 583.106 4.814 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409034116 1066308249 /nfs/dbraw/zinc/30/82/49/1066308249.db2.gz NEGDDPVYURLANI-MFCBUNOESA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409034119 1066308430 /nfs/dbraw/zinc/30/84/30/1066308430.db2.gz NEGDDPVYURLANI-SUAMDDGLSA-N 0 0 627.557 4.921 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cn(CC#N)c4ccccc34)sc2=N1 ZINC000409034139 1066789277 /nfs/dbraw/zinc/78/92/77/1066789277.db2.gz GTLDLTVBJBQQHG-CRCYZHLCSA-N 0 0 575.090 4.719 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cn(CC#N)c4ccccc34)sc2=N1 ZINC000409034140 1066789229 /nfs/dbraw/zinc/78/92/29/1066789229.db2.gz GTLDLTVBJBQQHG-FQKMCRJQSA-N 0 0 575.090 4.719 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=S)N2C)cc1OCC ZINC000409034150 1066308326 /nfs/dbraw/zinc/30/83/26/1066308326.db2.gz GXDRONTZAXYWSZ-ZHZULCJRSA-N 0 0 562.429 4.705 40 30 KJEBRN C#CCn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)c2cccc(C)c21 ZINC000409034219 1066789351 /nfs/dbraw/zinc/78/93/51/1066789351.db2.gz MVPQAGZVIRYHNU-FQWZWQHVSA-N 0 0 537.685 4.736 40 30 KJEBRN C#CCn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)c2cccc(C)c21 ZINC000409034222 1066789901 /nfs/dbraw/zinc/78/99/01/1066789901.db2.gz MVPQAGZVIRYHNU-LRUGRNCASA-N 0 0 537.685 4.736 40 30 KJEBRN C#CCOc1c(Cl)cc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409034472 1066789409 /nfs/dbraw/zinc/78/94/09/1066789409.db2.gz NOGKQROSDFQMIN-JAYSWQADSA-N 0 0 615.535 4.913 40 30 KJEBRN C#CCOc1c(Cl)cc(Cl)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409034477 1066789222 /nfs/dbraw/zinc/78/92/22/1066789222.db2.gz NOGKQROSDFQMIN-KEQCBNTKSA-N 0 0 615.535 4.913 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034600 1066788727 /nfs/dbraw/zinc/78/87/27/1066788727.db2.gz OGYFSPHAVLDWBC-FLGOMVIPSA-N 0 0 714.866 4.968 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034604 1066788799 /nfs/dbraw/zinc/78/87/99/1066788799.db2.gz OGYFSPHAVLDWBC-PGNBASISSA-N 0 0 714.866 4.968 40 30 KJEBRN COc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc(I)c1OC(C)C ZINC000409034699 1066788411 /nfs/dbraw/zinc/78/84/11/1066788411.db2.gz NVFJAFBULXLIPH-TXNBCWFRSA-N 0 0 502.168 4.801 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C#N)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034945 1066788343 /nfs/dbraw/zinc/78/83/43/1066788343.db2.gz INPVUNZMEVRFTI-PANBRXNZSA-N 0 0 791.633 4.870 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409034950 1066788461 /nfs/dbraw/zinc/78/84/61/1066788461.db2.gz OTYHMSGUDMSWSI-CUJVHFRDSA-N 0 0 757.818 4.973 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C#N)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034951 1066788367 /nfs/dbraw/zinc/78/83/67/1066788367.db2.gz INPVUNZMEVRFTI-XXNQQEORSA-N 0 0 791.633 4.870 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409034956 1066788276 /nfs/dbraw/zinc/78/82/76/1066788276.db2.gz OTYHMSGUDMSWSI-ZGGSADGGSA-N 0 0 757.818 4.973 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034988 1066788430 /nfs/dbraw/zinc/78/84/30/1066788430.db2.gz IQBSAFMZPWYQAZ-FWWOIACNSA-N 0 0 702.185 4.853 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034997 1066788243 /nfs/dbraw/zinc/78/82/43/1066788243.db2.gz IQBSAFMZPWYQAZ-PNUVFATHSA-N 0 0 702.185 4.853 40 30 KJEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000409035034 1066787951 /nfs/dbraw/zinc/78/79/51/1066787951.db2.gz OXLJTUHTMPLJHK-RGFRMHDHSA-N 0 0 595.117 4.651 40 30 KJEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000409035039 1066787959 /nfs/dbraw/zinc/78/79/59/1066787959.db2.gz OXLJTUHTMPLJHK-XQNWCSQWSA-N 0 0 595.117 4.651 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409035193 1066787899 /nfs/dbraw/zinc/78/78/99/1066787899.db2.gz JDNSFIBZZRULDX-FUFNRSNVSA-N 0 0 625.143 4.658 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409035195 1066787965 /nfs/dbraw/zinc/78/79/65/1066787965.db2.gz JDNSFIBZZRULDX-PRLWALMFSA-N 0 0 625.143 4.658 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409035366 1066309950 /nfs/dbraw/zinc/30/99/50/1066309950.db2.gz SLDRAWSVCANQLX-IMEWXKHHSA-N 0 0 665.347 4.730 40 30 KJEBRN C=CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409035369 1066787931 /nfs/dbraw/zinc/78/79/31/1066787931.db2.gz SLDRAWSVCANQLX-WVWKGNOCSA-N 0 0 665.347 4.730 40 30 KJEBRN CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(I)c1OCc1ccccc1C#N ZINC000409035424 1066787557 /nfs/dbraw/zinc/78/75/57/1066787557.db2.gz SPYLFWYVWYOMLS-ODLFYWEKSA-N 0 0 547.418 4.560 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035485 1066787544 /nfs/dbraw/zinc/78/75/44/1066787544.db2.gz PTKNBBQMMNLQSG-PLQXQRLBSA-N 0 0 752.425 4.864 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035488 1066787582 /nfs/dbraw/zinc/78/75/82/1066787582.db2.gz PTKNBBQMMNLQSG-VVNKCDPRSA-N 0 0 752.425 4.864 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)sc2=N1 ZINC000409035518 1066787516 /nfs/dbraw/zinc/78/75/16/1066787516.db2.gz SWDLAPLUDVPPIB-FUFNRSNVSA-N 0 0 691.547 4.862 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)sc2=N1 ZINC000409035521 1066787607 /nfs/dbraw/zinc/78/76/07/1066787607.db2.gz SWDLAPLUDVPPIB-PRLWALMFSA-N 0 0 691.547 4.862 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035542 1066787229 /nfs/dbraw/zinc/78/72/29/1066787229.db2.gz TUOPCNOELZBUPI-MFCBUNOESA-N 0 0 626.131 4.549 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409035545 1066787202 /nfs/dbraw/zinc/78/72/02/1066787202.db2.gz TUOPCNOELZBUPI-SUAMDDGLSA-N 0 0 626.131 4.549 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035546 1066787184 /nfs/dbraw/zinc/78/71/84/1066787184.db2.gz JGQPIDWYTLQJOK-GHLYMGRZSA-N 0 0 776.662 4.971 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035549 1066787168 /nfs/dbraw/zinc/78/71/68/1066787168.db2.gz JGQPIDWYTLQJOK-MLCIDIQUSA-N 0 0 776.662 4.971 40 30 KJEBRN CCOC(=O)COc1c(I)cc(I)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409035597 1066787199 /nfs/dbraw/zinc/78/71/99/1066787199.db2.gz QGTSBAPTOVCELV-ZXKDJJQISA-N 0 0 642.047 4.552 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000409035619 1066309993 /nfs/dbraw/zinc/30/99/93/1066309993.db2.gz QJZRPMPGBJJBGX-MKWGYRPRSA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000409035621 1066787188 /nfs/dbraw/zinc/78/71/88/1066787188.db2.gz QJZRPMPGBJJBGX-OCEWKHMESA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409035657 1066787135 /nfs/dbraw/zinc/78/71/35/1066787135.db2.gz JYVWAMXXXGKPAT-ASZHOJRSSA-N 0 0 750.462 4.839 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc([N+](=O)[O-])cc1OC ZINC000409035658 1066787223 /nfs/dbraw/zinc/78/72/23/1066787223.db2.gz PUCVDFVZCLQGAT-QARYAGPDSA-N 0 0 628.103 4.722 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc([N+](=O)[O-])cc1OC ZINC000409035659 1066787172 /nfs/dbraw/zinc/78/71/72/1066787172.db2.gz PUCVDFVZCLQGAT-ZSJKCPIUSA-N 0 0 628.103 4.722 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409035665 1066787549 /nfs/dbraw/zinc/78/75/49/1066787549.db2.gz PWDWPSBRMOVKEK-CJIXEESDSA-N 0 0 706.011 4.730 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409035666 1066787479 /nfs/dbraw/zinc/78/74/79/1066787479.db2.gz PWDWPSBRMOVKEK-ZDZYTSRMSA-N 0 0 706.011 4.730 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409035746 1066310426 /nfs/dbraw/zinc/31/04/26/1066310426.db2.gz QOVHMRFMXLNMLA-MKWGYRPRSA-N 0 0 597.531 4.913 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409035747 1066787170 /nfs/dbraw/zinc/78/71/70/1066787170.db2.gz QOVHMRFMXLNMLA-OCEWKHMESA-N 0 0 597.531 4.913 40 30 KJEBRN CC(=O)Oc1c(Br)cc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409035775 1066787159 /nfs/dbraw/zinc/78/71/59/1066787159.db2.gz KDXQAPPVLONDPE-LKNXVUQUSA-N 0 0 503.994 4.851 40 30 KJEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000409035815 1066310356 /nfs/dbraw/zinc/31/03/56/1066310356.db2.gz UFVLEJRXJPLPTH-CRCYZHLCSA-N 0 0 704.583 4.772 40 30 KJEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000409035820 1066787210 /nfs/dbraw/zinc/78/72/10/1066787210.db2.gz UFVLEJRXJPLPTH-FQKMCRJQSA-N 0 0 704.583 4.772 40 30 KJEBRN C=CCOc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409036017 1066310206 /nfs/dbraw/zinc/31/02/06/1066310206.db2.gz JYVWAMXXXGKPAT-RNECYNAXSA-N 0 0 750.462 4.839 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036024 1066786676 /nfs/dbraw/zinc/78/66/76/1066786676.db2.gz VCUSJEAXQFGFCG-GHLYMGRZSA-N 0 0 732.211 4.861 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c(OCC#N)ccc5ccccc54)c(=O)n32)cc1 ZINC000409036026 1066786878 /nfs/dbraw/zinc/78/68/78/1066786878.db2.gz KXXXJPXTGXXVBC-NNAGEYCMSA-N 0 0 567.667 4.641 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036028 1066786816 /nfs/dbraw/zinc/78/68/16/1066786816.db2.gz VCUSJEAXQFGFCG-MLCIDIQUSA-N 0 0 732.211 4.861 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c(OCC#N)ccc5ccccc54)c(=O)n32)cc1 ZINC000409036030 1066786714 /nfs/dbraw/zinc/78/67/14/1066786714.db2.gz KXXXJPXTGXXVBC-PQRKSKNISA-N 0 0 567.667 4.641 40 30 KJEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 ZINC000409036183 1066786395 /nfs/dbraw/zinc/78/63/95/1066786395.db2.gz AJNICICMRMWPTF-RGFRMHDHSA-N 0 0 541.673 4.726 40 30 KJEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 ZINC000409036184 1066786449 /nfs/dbraw/zinc/78/64/49/1066786449.db2.gz AJNICICMRMWPTF-XQNWCSQWSA-N 0 0 541.673 4.726 40 30 KJEBRN C#CCSc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)c2ccccc12 ZINC000409036192 1066786302 /nfs/dbraw/zinc/78/63/02/1066786302.db2.gz AMDJAOVGFMMTQO-HPFVHPJRSA-N 0 0 524.667 4.677 40 30 KJEBRN C#CCSc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)c2ccccc12 ZINC000409036193 1066310324 /nfs/dbraw/zinc/31/03/24/1066310324.db2.gz AMDJAOVGFMMTQO-WHNPURCTSA-N 0 0 524.667 4.677 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC#N)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409036341 1066786356 /nfs/dbraw/zinc/78/63/56/1066786356.db2.gz VTDFHLYNHLOPGP-PLQXQRLBSA-N 0 0 799.425 4.706 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC#N)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409036345 1066786456 /nfs/dbraw/zinc/78/64/56/1066786456.db2.gz VTDFHLYNHLOPGP-VVNKCDPRSA-N 0 0 799.425 4.706 40 30 KJEBRN COCCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2O)C2=C1CCCC2=O ZINC000409036510 1066786037 /nfs/dbraw/zinc/78/60/37/1066786037.db2.gz RNEFRGQFZXNWJM-UHFFFAOYSA-N 0 0 525.237 4.977 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409036655 1066786018 /nfs/dbraw/zinc/78/60/18/1066786018.db2.gz LENVIKVGVKDKOD-MFCBUNOESA-N 0 0 613.132 4.821 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409036657 1066310285 /nfs/dbraw/zinc/31/02/85/1066310285.db2.gz LENVIKVGVKDKOD-SUAMDDGLSA-N 0 0 613.132 4.821 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409036734 1066310304 /nfs/dbraw/zinc/31/03/04/1066310304.db2.gz LWRQSCFTULFIGI-JAYSWQADSA-N 0 0 751.437 4.973 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409036735 1066785551 /nfs/dbraw/zinc/78/55/51/1066785551.db2.gz LWRQSCFTULFIGI-KEQCBNTKSA-N 0 0 751.437 4.973 40 30 KJEBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCC#N ZINC000409036736 1066785502 /nfs/dbraw/zinc/78/55/02/1066785502.db2.gz LWWISKNABSYIFA-BJMVGYQFSA-N 0 0 563.220 4.704 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC ZINC000409036828 1066785430 /nfs/dbraw/zinc/78/54/30/1066785430.db2.gz BSEAKYOIOFLBNR-IZZDOVSWSA-N 0 0 515.232 4.971 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409036838 1066785351 /nfs/dbraw/zinc/78/53/51/1066785351.db2.gz MFGWSKWHPISMBN-CRCYZHLCSA-N 0 0 704.583 4.772 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409036841 1066785985 /nfs/dbraw/zinc/78/59/85/1066785985.db2.gz MFGWSKWHPISMBN-FQKMCRJQSA-N 0 0 704.583 4.772 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cn(CC#N)c4ccccc34)sc2=N1 ZINC000409036842 1066310185 /nfs/dbraw/zinc/31/01/85/1066310185.db2.gz RSHAYUNFJOEOSU-CRCYZHLCSA-N 0 0 619.541 4.828 40 30 KJEBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cn(CC#N)c4ccccc34)sc2=N1 ZINC000409036851 1066785940 /nfs/dbraw/zinc/78/59/40/1066785940.db2.gz RSHAYUNFJOEOSU-FQKMCRJQSA-N 0 0 619.541 4.828 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000409036977 1066785318 /nfs/dbraw/zinc/78/53/18/1066785318.db2.gz MOGZPQRCONYWHJ-QARYAGPDSA-N 0 0 615.535 4.913 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000409036980 1066310798 /nfs/dbraw/zinc/31/07/98/1066310798.db2.gz MOGZPQRCONYWHJ-ZSJKCPIUSA-N 0 0 615.535 4.913 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=S)N2C)cc1OCC ZINC000409037056 1066785041 /nfs/dbraw/zinc/78/50/41/1066785041.db2.gz SFLSQDAHPBNNDE-ZHZULCJRSA-N 0 0 515.429 4.863 40 30 KJEBRN COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCC#N ZINC000409037111 1066784902 /nfs/dbraw/zinc/78/49/02/1066784902.db2.gz SLMTYMWGXXCEFW-WDZFZDKYSA-N 0 0 563.220 4.704 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037179 1066784381 /nfs/dbraw/zinc/78/43/81/1066784381.db2.gz XWHDEOYBOUMTKT-GHLYMGRZSA-N 0 0 776.662 4.971 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037181 1066784958 /nfs/dbraw/zinc/78/49/58/1066784958.db2.gz XWHDEOYBOUMTKT-MLCIDIQUSA-N 0 0 776.662 4.971 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037271 1066784922 /nfs/dbraw/zinc/78/49/22/1066784922.db2.gz TTWLADBSCRIVMK-QBXSFHPBSA-N 0 0 711.793 4.598 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037274 1066785051 /nfs/dbraw/zinc/78/50/51/1066785051.db2.gz TTWLADBSCRIVMK-XCHCAXAGSA-N 0 0 711.793 4.598 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409037409 1066799059 /nfs/dbraw/zinc/79/90/59/1066799059.db2.gz CFZVZVRUKZWGSJ-TXNBCWFRSA-N 0 0 594.006 4.622 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1[N+](=O)[O-] ZINC000409037496 1066798957 /nfs/dbraw/zinc/79/89/57/1066798957.db2.gz SPEJFQYEJYCSNF-YHYXMXQVSA-N 0 0 530.203 4.871 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409037518 1066798944 /nfs/dbraw/zinc/79/89/44/1066798944.db2.gz SQQRSGCIQWBKFH-JAYSWQADSA-N 0 0 798.437 4.815 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409037521 1066798987 /nfs/dbraw/zinc/79/89/87/1066798987.db2.gz SQQRSGCIQWBKFH-KEQCBNTKSA-N 0 0 798.437 4.815 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409037564 1066798997 /nfs/dbraw/zinc/79/89/97/1066798997.db2.gz CZTUACDGXKIZKQ-GVMLUORFSA-N 0 0 751.437 4.975 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409037567 1066799023 /nfs/dbraw/zinc/79/90/23/1066799023.db2.gz CZTUACDGXKIZKQ-KMBIYUNPSA-N 0 0 751.437 4.975 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037657 1066798550 /nfs/dbraw/zinc/79/85/50/1066798550.db2.gz YETKCEWZASWOJR-MFCBUNOESA-N 0 0 670.582 4.658 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037661 1066310777 /nfs/dbraw/zinc/31/07/77/1066310777.db2.gz YETKCEWZASWOJR-SUAMDDGLSA-N 0 0 670.582 4.658 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC ZINC000409037662 1066798495 /nfs/dbraw/zinc/79/84/95/1066798495.db2.gz UFCKJADGAQJCFE-IZZDOVSWSA-N 0 0 562.232 4.813 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1 ZINC000409037763 1066798172 /nfs/dbraw/zinc/79/81/72/1066798172.db2.gz ZASCGECXPSLJJT-MKWGYRPRSA-N 0 0 553.080 4.805 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1 ZINC000409037765 1066798065 /nfs/dbraw/zinc/79/80/65/1066798065.db2.gz ZASCGECXPSLJJT-OCEWKHMESA-N 0 0 553.080 4.805 40 30 KJEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000409037840 1066798660 /nfs/dbraw/zinc/79/86/60/1066798660.db2.gz NYBLBWUWDDZBPE-RGFRMHDHSA-N 0 0 639.568 4.760 40 30 KJEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000409037842 1066798436 /nfs/dbraw/zinc/79/84/36/1066798436.db2.gz NYBLBWUWDDZBPE-XQNWCSQWSA-N 0 0 639.568 4.760 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1OCC ZINC000409037882 1066308730 /nfs/dbraw/zinc/30/87/30/1066308730.db2.gz UNEXJKZCLIZBBE-PKYOQBLNSA-N 0 0 606.741 4.730 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1OCC ZINC000409037885 1066797664 /nfs/dbraw/zinc/79/76/64/1066797664.db2.gz UNEXJKZCLIZBBE-USDTVRPUSA-N 0 0 606.741 4.730 40 30 KJEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCC#N)c(I)c1 ZINC000409037941 1066798077 /nfs/dbraw/zinc/79/80/77/1066798077.db2.gz UXLNFSHCZPWBMB-UXBLZVDNSA-N 0 0 533.194 4.695 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038161 1066797704 /nfs/dbraw/zinc/79/77/04/1066797704.db2.gz UVPXNEPUZXDACY-PLQXQRLBSA-N 0 0 616.523 4.803 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038171 1066308864 /nfs/dbraw/zinc/30/88/64/1066308864.db2.gz UVPXNEPUZXDACY-VVNKCDPRSA-N 0 0 616.523 4.803 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038252 1066797610 /nfs/dbraw/zinc/79/76/10/1066797610.db2.gz VAZPLCQLVCVVSC-CFPUELQSSA-N 0 0 732.211 4.861 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038256 1066797539 /nfs/dbraw/zinc/79/75/39/1066797539.db2.gz VAZPLCQLVCVVSC-KDDCWKTLSA-N 0 0 732.211 4.861 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OC ZINC000409038273 1066308618 /nfs/dbraw/zinc/30/86/18/1066308618.db2.gz FCADBKOBMYUHCN-PKYOQBLNSA-N 0 0 606.741 4.730 40 30 KJEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OC ZINC000409038276 1066797729 /nfs/dbraw/zinc/79/77/29/1066797729.db2.gz FCADBKOBMYUHCN-USDTVRPUSA-N 0 0 606.741 4.730 40 30 KJEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409038335 1066812202 /nfs/dbraw/zinc/81/22/02/1066812202.db2.gz OIMATCIJYTYAKA-IMEWXKHHSA-N 0 0 529.445 4.670 40 30 KJEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409038336 1066812138 /nfs/dbraw/zinc/81/21/38/1066812138.db2.gz OIMATCIJYTYAKA-WVWKGNOCSA-N 0 0 529.445 4.670 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409038625 1066811707 /nfs/dbraw/zinc/81/17/07/1066811707.db2.gz PRGXGSVEQZDVSK-FUFNRSNVSA-N 0 0 669.594 4.767 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409038627 1066811672 /nfs/dbraw/zinc/81/16/72/1066811672.db2.gz PRGXGSVEQZDVSK-PRLWALMFSA-N 0 0 669.594 4.767 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1OCC ZINC000409038663 1066811761 /nfs/dbraw/zinc/81/17/61/1066811761.db2.gz PZGFGXZFTAIVJD-GOOXQAOHSA-N 0 0 583.504 4.524 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1OCC ZINC000409038664 1066811726 /nfs/dbraw/zinc/81/17/26/1066811726.db2.gz PZGFGXZFTAIVJD-KZVLXBEFSA-N 0 0 583.504 4.524 40 30 KJEBRN COc1c(I)cc(I)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409038826 1066309446 /nfs/dbraw/zinc/30/94/46/1066309446.db2.gz FRZVATTZFJIUQY-IPBDZQFASA-N 0 0 569.984 4.618 40 30 KJEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409038896 1066309200 /nfs/dbraw/zinc/30/92/00/1066309200.db2.gz PUEGKAVWRHPGLS-TXNBCWFRSA-N 0 0 500.006 4.938 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038906 1066810697 /nfs/dbraw/zinc/81/06/97/1066810697.db2.gz FWHLIAGGBDYOFC-BDYBYDPESA-N 0 0 704.805 4.932 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038910 1066811165 /nfs/dbraw/zinc/81/11/65/1066811165.db2.gz FWHLIAGGBDYOFC-ONUQRGFXSA-N 0 0 704.805 4.932 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1 ZINC000409039065 1066309130 /nfs/dbraw/zinc/30/91/30/1066309130.db2.gz QHLZZJGJOKDMKJ-MKWGYRPRSA-N 0 0 597.531 4.914 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1 ZINC000409039066 1066309269 /nfs/dbraw/zinc/30/92/69/1066309269.db2.gz QHLZZJGJOKDMKJ-OCEWKHMESA-N 0 0 597.531 4.914 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409039318 1066309256 /nfs/dbraw/zinc/30/92/56/1066309256.db2.gz CMJPZRLLJVOCDX-HYARGMPZSA-N 0 0 526.567 4.900 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)Nc3ccc(C)cc3)cc2Br)C1=O ZINC000409039599 1066810262 /nfs/dbraw/zinc/81/02/62/1066810262.db2.gz CSPANEXZFKNDJR-CIAFOILYSA-N 0 0 529.412 4.843 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039607 1066810274 /nfs/dbraw/zinc/81/02/74/1066810274.db2.gz WZWASGRJMDWDKY-GHLYMGRZSA-N 0 0 823.662 4.813 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039611 1066810177 /nfs/dbraw/zinc/81/01/77/1066810177.db2.gz WZWASGRJMDWDKY-MLCIDIQUSA-N 0 0 823.662 4.813 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409039668 1066809661 /nfs/dbraw/zinc/80/96/61/1066809661.db2.gz RUOHGOIPYIXJHJ-QPJBPQEWSA-N 0 0 627.557 4.921 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)C)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409039671 1066809642 /nfs/dbraw/zinc/80/96/42/1066809642.db2.gz RUOHGOIPYIXJHJ-QTTRZTASSA-N 0 0 627.557 4.921 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCC#N)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039812 1066809708 /nfs/dbraw/zinc/80/97/08/1066809708.db2.gz SEXMUBFOCYUJIP-ITIZVALFSA-N 0 0 616.523 4.803 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039814 1066308748 /nfs/dbraw/zinc/30/87/48/1066308748.db2.gz SEXMUBFOCYUJIP-YXDQGSNCSA-N 0 0 616.523 4.803 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039850 1066809760 /nfs/dbraw/zinc/80/97/60/1066809760.db2.gz WYZJXQSRWRTYFU-CFPUELQSSA-N 0 0 793.636 4.804 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039852 1066809629 /nfs/dbraw/zinc/80/96/29/1066809629.db2.gz WYZJXQSRWRTYFU-KDDCWKTLSA-N 0 0 793.636 4.804 40 30 KJEBRN C=CCOc1c(I)cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC ZINC000409039897 1066809672 /nfs/dbraw/zinc/80/96/72/1066809672.db2.gz XISBZTIPBPYLRU-KTZMUZOWSA-N 0 0 514.179 4.969 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br ZINC000409039972 1066809234 /nfs/dbraw/zinc/80/92/34/1066809234.db2.gz RWJIJRUUQFYJCQ-MKWGYRPRSA-N 0 0 597.531 4.913 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br ZINC000409039973 1066809116 /nfs/dbraw/zinc/80/91/16/1066809116.db2.gz RWJIJRUUQFYJCQ-OCEWKHMESA-N 0 0 597.531 4.913 40 30 KJEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409040051 1066809737 /nfs/dbraw/zinc/80/97/37/1066809737.db2.gz SGWHDYSZZHFFMU-ASZHOJRSSA-N 0 0 661.560 4.620 40 30 KJEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409040055 1066809813 /nfs/dbraw/zinc/80/98/13/1066809813.db2.gz SGWHDYSZZHFFMU-RNECYNAXSA-N 0 0 661.560 4.620 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000409040142 1066808751 /nfs/dbraw/zinc/80/87/51/1066808751.db2.gz HKNQUUQVTFEVNY-ABBNRAPFSA-N 0 0 595.117 4.650 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000409040145 1066309218 /nfs/dbraw/zinc/30/92/18/1066309218.db2.gz HKNQUUQVTFEVNY-CSJROMOCSA-N 0 0 595.117 4.650 40 30 KJEBRN CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)N(C)C1=S ZINC000409040172 1066809138 /nfs/dbraw/zinc/80/91/38/1066809138.db2.gz XWSCNFUBBFHPOR-MFOYZWKCSA-N 0 0 521.234 4.692 40 30 KJEBRN N#CCOc1c(I)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1I ZINC000409040177 1066809321 /nfs/dbraw/zinc/80/93/21/1066809321.db2.gz SLUOJIPNSHLKQD-FPQMYIDKSA-N 0 0 594.994 4.512 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc([N+](=O)[O-])cc1OC ZINC000409040186 1066809165 /nfs/dbraw/zinc/80/91/65/1066809165.db2.gz SMNNEOWQVLXBQG-QARYAGPDSA-N 0 0 672.554 4.831 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc([N+](=O)[O-])cc1OC ZINC000409040189 1066809256 /nfs/dbraw/zinc/80/92/56/1066809256.db2.gz SMNNEOWQVLXBQG-ZSJKCPIUSA-N 0 0 672.554 4.831 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1Cl ZINC000409040202 1066809140 /nfs/dbraw/zinc/80/91/40/1066809140.db2.gz SNZFTUXIPANKLG-FBHQFGEZSA-N 0 0 529.445 4.670 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1Cl ZINC000409040205 1066311006 /nfs/dbraw/zinc/31/10/06/1066311006.db2.gz SNZFTUXIPANKLG-PZHBDVNGSA-N 0 0 529.445 4.670 40 30 KJEBRN COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409040275 1066808640 /nfs/dbraw/zinc/80/86/40/1066808640.db2.gz GEMCFWKIFBVTQQ-ZMOGYAJESA-N 0 0 531.306 4.976 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1I ZINC000409040392 1066808722 /nfs/dbraw/zinc/80/87/22/1066808722.db2.gz HZCBIKWDYIHFDL-ZRJGMHBZSA-N 0 0 642.047 4.552 40 30 KJEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(I)c1OCC(F)(F)F ZINC000409040577 1066311343 /nfs/dbraw/zinc/31/13/43/1066311343.db2.gz SUAWMUHCNYGJMR-UJOWUYHQSA-N 0 0 542.111 4.955 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4ccccc4C#N)c(I)c3)sc2=N1 ZINC000409040579 1066808283 /nfs/dbraw/zinc/80/82/83/1066808283.db2.gz SUCMQWGUOZYJPZ-FUFNRSNVSA-N 0 0 661.521 4.854 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4ccccc4C#N)c(I)c3)sc2=N1 ZINC000409040581 1066808157 /nfs/dbraw/zinc/80/81/57/1066808157.db2.gz SUCMQWGUOZYJPZ-PRLWALMFSA-N 0 0 661.521 4.854 40 30 KJEBRN C#CCOc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000409040637 1066808183 /nfs/dbraw/zinc/80/81/83/1066808183.db2.gz HGRVHZJOKGOFMN-UHFFFAOYSA-N 0 0 505.206 4.925 40 30 KJEBRN C#CCOc1c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)cc1OC ZINC000409040649 1066808733 /nfs/dbraw/zinc/80/87/33/1066808733.db2.gz TVVCUIALWNWBQO-GHXNOFRVSA-N 0 0 515.232 4.971 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041237 1066807210 /nfs/dbraw/zinc/80/72/10/1066807210.db2.gz UHZADJKRJIZQCB-PLQXQRLBSA-N 0 0 660.974 4.912 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041243 1066807118 /nfs/dbraw/zinc/80/71/18/1066807118.db2.gz UHZADJKRJIZQCB-VVNKCDPRSA-N 0 0 660.974 4.912 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)cc(OC)c3OCc3ccccc3C#N)sc2=N1 ZINC000409041252 1066807313 /nfs/dbraw/zinc/80/73/13/1066807313.db2.gz UHZYQLWMINYFDE-JBDHCHCMSA-N 0 0 691.547 4.862 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)cc(OC)c3OCc3ccccc3C#N)sc2=N1 ZINC000409041255 1066807303 /nfs/dbraw/zinc/80/73/03/1066807303.db2.gz UHZYQLWMINYFDE-PIXWUVMMSA-N 0 0 691.547 4.862 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1I ZINC000409041391 1066311247 /nfs/dbraw/zinc/31/12/47/1066311247.db2.gz VMHXELXIIXISBK-FBHQFGEZSA-N 0 0 712.347 4.572 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1I ZINC000409041392 1066311442 /nfs/dbraw/zinc/31/14/42/1066311442.db2.gz VMHXELXIIXISBK-PZHBDVNGSA-N 0 0 712.347 4.572 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041421 1066807167 /nfs/dbraw/zinc/80/71/67/1066807167.db2.gz VUPUJMMWUVYWTO-ITIZVALFSA-N 0 0 799.425 4.706 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041422 1066807236 /nfs/dbraw/zinc/80/72/36/1066807236.db2.gz VUPUJMMWUVYWTO-YXDQGSNCSA-N 0 0 799.425 4.706 40 30 KJEBRN COc1c(I)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1I ZINC000409041565 1066806609 /nfs/dbraw/zinc/80/66/09/1066806609.db2.gz WHPCIEULSMKIDW-IGLQUIOVSA-N 0 0 569.984 4.618 40 30 KJEBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)C1=O ZINC000409041568 1066806630 /nfs/dbraw/zinc/80/66/30/1066806630.db2.gz KAMDRWIODSLSNU-RGVLZGJSSA-N 0 0 500.960 4.789 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000409041656 1066807249 /nfs/dbraw/zinc/80/72/49/1066807249.db2.gz KJZPVSMNNPNGJL-DEDYPNTBSA-N 0 0 529.412 4.843 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)c1 ZINC000409041834 1066806674 /nfs/dbraw/zinc/80/66/74/1066806674.db2.gz VVSHTHZDXAKRIP-MKWGYRPRSA-N 0 0 553.080 4.805 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)c1 ZINC000409041836 1066806595 /nfs/dbraw/zinc/80/65/95/1066806595.db2.gz VVSHTHZDXAKRIP-OCEWKHMESA-N 0 0 553.080 4.805 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=S)N2C)cc1OC ZINC000409041875 1066806661 /nfs/dbraw/zinc/80/66/61/1066806661.db2.gz WBXLJAZRIFVVET-UYRXBGFRSA-N 0 0 550.418 4.868 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cc(Cl)ccc1OC)C(C(=O)OCC)=C(CCC)N=2 ZINC000409041987 1066806125 /nfs/dbraw/zinc/80/61/25/1066806125.db2.gz WRJOOKYWMKEMRR-MKWGYRPRSA-N 0 0 553.080 4.805 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cc(Cl)ccc1OC)C(C(=O)OCC)=C(CCC)N=2 ZINC000409041989 1066806108 /nfs/dbraw/zinc/80/61/08/1066806108.db2.gz WRJOOKYWMKEMRR-OCEWKHMESA-N 0 0 553.080 4.805 40 30 KJEBRN C#CCOc1c(I)cc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409042076 1066311214 /nfs/dbraw/zinc/31/12/14/1066311214.db2.gz BGWCWBMSPYNTCY-TXNBCWFRSA-N 0 0 547.006 4.780 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C#N)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042105 1066806231 /nfs/dbraw/zinc/80/62/31/1066806231.db2.gz BJERGDJBULUECJ-ACNFRRSXSA-N 0 0 711.793 4.598 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C#N)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042107 1066806587 /nfs/dbraw/zinc/80/65/87/1066806587.db2.gz BJERGDJBULUECJ-QXMHJZDTSA-N 0 0 711.793 4.598 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000409042131 1066311555 /nfs/dbraw/zinc/31/15/55/1066311555.db2.gz BLMAWQZSEPLOMJ-IAOUMNOZSA-N 0 0 562.688 4.549 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OCC ZINC000409042133 1066806192 /nfs/dbraw/zinc/80/61/92/1066806192.db2.gz BLMAWQZSEPLOMJ-RYOBIWAXSA-N 0 0 562.688 4.549 40 30 KJEBRN CCOc1c(I)cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000409042283 1066805651 /nfs/dbraw/zinc/80/56/51/1066805651.db2.gz MEBIQNOADCBJBD-FWXBDEBKSA-N 0 0 578.406 4.925 40 30 KJEBRN CCOc1c(I)cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000409042287 1066805731 /nfs/dbraw/zinc/80/57/31/1066805731.db2.gz MEBIQNOADCBJBD-JHUPEGBYSA-N 0 0 578.406 4.925 40 30 KJEBRN CCOc1c(I)cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000409042292 1066805624 /nfs/dbraw/zinc/80/56/24/1066805624.db2.gz MEBIQNOADCBJBD-ZIDZTJELSA-N 0 0 578.406 4.925 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)c(OCc4ccc(C#N)cc4)c(OC)c3)sc2=N1 ZINC000409042591 1066805280 /nfs/dbraw/zinc/80/52/80/1066805280.db2.gz YMKIVJYYDCQDRX-LCQSEVKBSA-N 0 0 691.547 4.862 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)c(OCc4ccc(C#N)cc4)c(OC)c3)sc2=N1 ZINC000409042593 1066805094 /nfs/dbraw/zinc/80/50/94/1066805094.db2.gz YMKIVJYYDCQDRX-UQDCTOEPSA-N 0 0 691.547 4.862 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042656 1066805127 /nfs/dbraw/zinc/80/51/27/1066805127.db2.gz BZZJZWKPYCHENY-FWWOIACNSA-N 0 0 702.185 4.853 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042659 1066805205 /nfs/dbraw/zinc/80/52/05/1066805205.db2.gz BZZJZWKPYCHENY-PNUVFATHSA-N 0 0 702.185 4.853 40 30 KJEBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5C#N)o4)c(=O)n32)cc1 ZINC000409042784 1066805069 /nfs/dbraw/zinc/80/50/69/1066805069.db2.gz XSSKYXMTTQOGCL-LCQSEVKBSA-N 0 0 553.640 4.717 40 30 KJEBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5C#N)o4)c(=O)n32)cc1 ZINC000409042787 1066805137 /nfs/dbraw/zinc/80/51/37/1066805137.db2.gz XSSKYXMTTQOGCL-UQDCTOEPSA-N 0 0 553.640 4.717 40 30 KJEBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCC#N ZINC000409042899 1066805255 /nfs/dbraw/zinc/80/52/55/1066805255.db2.gz LJDOOAWSSZRHHP-BJMVGYQFSA-N 0 0 516.220 4.862 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OCC ZINC000409042972 1066311955 /nfs/dbraw/zinc/31/19/55/1066311955.db2.gz LZYSQYHJLUQRSW-YBEGLDIGSA-N 0 0 501.411 4.559 40 30 KJEBRN CCOc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc(I)c1OCC ZINC000409043015 1066804672 /nfs/dbraw/zinc/80/46/72/1066804672.db2.gz YXJASERUWHBKTM-HCGXMYGOSA-N 0 0 502.168 4.803 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409043198 1066804686 /nfs/dbraw/zinc/80/46/86/1066804686.db2.gz YCTNDTPJMGFOMG-CFPUELQSSA-N 0 0 823.662 4.813 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409043199 1066804515 /nfs/dbraw/zinc/80/45/15/1066804515.db2.gz YCTNDTPJMGFOMG-KDDCWKTLSA-N 0 0 823.662 4.813 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409043279 1066804016 /nfs/dbraw/zinc/80/40/16/1066804016.db2.gz YQKBXWRPJSTFFT-QPJBPQEWSA-N 0 0 627.557 4.923 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409043281 1066804111 /nfs/dbraw/zinc/80/41/11/1066804111.db2.gz YQKBXWRPJSTFFT-QTTRZTASSA-N 0 0 627.557 4.923 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)Nc3ccccc3)cc2Br)C1=O ZINC000409043509 1066804148 /nfs/dbraw/zinc/80/41/48/1066804148.db2.gz RHQYNNYAPUFUBT-UDWIEESQSA-N 0 0 515.385 4.535 40 30 KJEBRN C#CCOc1c(Br)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Br ZINC000409044302 1066802879 /nfs/dbraw/zinc/80/28/79/1066802879.db2.gz BSLLOYLSUKVQSQ-UHFFFAOYSA-N 0 0 505.206 4.925 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Cl)ccc3OCc3ccccc3C#N)sc2=N1 ZINC000409044683 1066802924 /nfs/dbraw/zinc/80/29/24/1066802924.db2.gz HIQUSHSVPVZWHU-LCQSEVKBSA-N 0 0 570.070 4.902 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Cl)ccc3OCc3ccccc3C#N)sc2=N1 ZINC000409044686 1066802798 /nfs/dbraw/zinc/80/27/98/1066802798.db2.gz HIQUSHSVPVZWHU-UQDCTOEPSA-N 0 0 570.070 4.902 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3)c(OCC)c2)C1=O ZINC000409044977 1066802179 /nfs/dbraw/zinc/80/21/79/1066802179.db2.gz FAFMJRZTBGOFQF-CPNJWEJPSA-N 0 0 519.360 4.938 40 30 KJEBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409044990 1066802262 /nfs/dbraw/zinc/80/22/62/1066802262.db2.gz WYGYKKRZYIGETM-GIJQJNRQSA-N 0 0 674.254 4.946 40 30 KJEBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1ccc(C#N)cc1 ZINC000409045225 1066801460 /nfs/dbraw/zinc/80/14/60/1066801460.db2.gz IBDJWEHDFHEIBE-JLHDDXNDSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1ccc(C#N)cc1 ZINC000409045227 1066801492 /nfs/dbraw/zinc/80/14/92/1066801492.db2.gz IBDJWEHDFHEIBE-PYCBVSLESA-N 0 0 579.678 4.648 40 30 KJEBRN COc1c(Br)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1I ZINC000409045238 1066801363 /nfs/dbraw/zinc/80/13/63/1066801363.db2.gz ICXFCDYFSOQSOO-IGLQUIOVSA-N 0 0 522.984 4.776 40 30 KJEBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)C1=O ZINC000409045336 1066801404 /nfs/dbraw/zinc/80/14/04/1066801404.db2.gz GHESRGLOAWYRNP-RGVLZGJSSA-N 0 0 545.411 4.898 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409045437 1066801420 /nfs/dbraw/zinc/80/14/20/1066801420.db2.gz PNPKGTFTMXVEGQ-ACNFRRSXSA-N 0 0 690.778 4.623 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409045438 1066801471 /nfs/dbraw/zinc/80/14/71/1066801471.db2.gz PNPKGTFTMXVEGQ-QXMHJZDTSA-N 0 0 690.778 4.623 40 30 KJEBRN N#CCOc1c(Br)cc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409045444 1066312758 /nfs/dbraw/zinc/31/27/58/1066312758.db2.gz PNULTXXVYYXUCW-MUDSWDHVSA-N 0 0 500.994 4.828 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC ZINC000409045525 1066799453 /nfs/dbraw/zinc/79/94/53/1066799453.db2.gz PWBPXHUWYRGWTH-IZZDOVSWSA-N 0 0 515.232 4.971 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)sc2=N1 ZINC000409045949 1066800993 /nfs/dbraw/zinc/80/09/93/1066800993.db2.gz QHAZCZARFWWOOM-ITNPZBTBSA-N 0 0 558.663 4.673 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)sc2=N1 ZINC000409045950 1066801011 /nfs/dbraw/zinc/80/10/11/1066801011.db2.gz QHAZCZARFWWOOM-UAMLYEQYSA-N 0 0 558.663 4.673 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)C1=O ZINC000409046211 1066800227 /nfs/dbraw/zinc/80/02/27/1066800227.db2.gz JORWSSWBTGEMSY-XDHOZWIPSA-N 0 0 505.333 4.548 40 30 KJEBRN COc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(I)c1OC ZINC000409046325 1066800419 /nfs/dbraw/zinc/80/04/19/1066800419.db2.gz KBWAAAOLCLLRSX-CFADGJLPSA-N 0 0 564.379 4.535 40 30 KJEBRN COc1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(I)c1OC ZINC000409046327 1066800326 /nfs/dbraw/zinc/80/03/26/1066800326.db2.gz KBWAAAOLCLLRSX-MTCHKFKRSA-N 0 0 564.379 4.535 40 30 KJEBRN COc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(I)c1OC ZINC000409046330 1066800285 /nfs/dbraw/zinc/80/02/85/1066800285.db2.gz KBWAAAOLCLLRSX-YFLNJTSXSA-N 0 0 564.379 4.535 40 30 KJEBRN C#CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I ZINC000409046442 1066313194 /nfs/dbraw/zinc/31/31/94/1066313194.db2.gz RIDDHFPLPAAISK-YRNVUSSQSA-N 0 0 532.206 4.805 40 30 KJEBRN C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409046523 1066312059 /nfs/dbraw/zinc/31/20/59/1066312059.db2.gz LBPXNTYITAJCOE-OVCLIPMQSA-N 0 0 552.606 4.852 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409046606 1066799898 /nfs/dbraw/zinc/79/98/98/1066799898.db2.gz RTKKJLXSBLOFIC-GVMLUORFSA-N 0 0 615.535 4.915 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000409046607 1066800273 /nfs/dbraw/zinc/80/02/73/1066800273.db2.gz RTKKJLXSBLOFIC-KMBIYUNPSA-N 0 0 615.535 4.915 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000409046648 1066311811 /nfs/dbraw/zinc/31/18/11/1066311811.db2.gz KXAJSHBFYYOESS-VGOFMYFVSA-N 0 0 552.606 4.852 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409046923 1066799772 /nfs/dbraw/zinc/79/97/72/1066799772.db2.gz LLVBUORCMZQXMD-FWWOIACNSA-N 0 0 746.636 4.962 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409046925 1066799915 /nfs/dbraw/zinc/79/99/15/1066799915.db2.gz LLVBUORCMZQXMD-PNUVFATHSA-N 0 0 746.636 4.962 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409047227 1066799419 /nfs/dbraw/zinc/79/94/19/1066799419.db2.gz NLHHRLFUXJBEKG-FYJGNVAPSA-N 0 0 512.540 4.510 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409047256 1066799335 /nfs/dbraw/zinc/79/93/35/1066799335.db2.gz MAQWVLIBDLAERV-ZXKDJJQISA-N 0 0 548.047 4.867 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)Nc3ccc(F)cc3)cc2Br)C1=O ZINC000409047281 1066313818 /nfs/dbraw/zinc/31/38/18/1066313818.db2.gz MDBFPFGTSRMMFH-RGVLZGJSSA-N 0 0 533.375 4.674 40 30 KJEBRN C=CCOc1c(I)cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1OC ZINC000409047521 1066313833 /nfs/dbraw/zinc/31/38/33/1066313833.db2.gz UQDIVCGIKXQXRB-HCGXMYGOSA-N 0 0 500.152 4.579 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409047588 1066313565 /nfs/dbraw/zinc/31/35/65/1066313565.db2.gz OTHKGVLRLSRMAD-WOJGMQOQSA-N 0 0 503.330 4.614 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1I ZINC000409047797 1066822474 /nfs/dbraw/zinc/82/24/74/1066822474.db2.gz UWMCRRGCGXXNKZ-ZRJGMHBZSA-N 0 0 595.047 4.710 40 30 KJEBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409047898 1066822485 /nfs/dbraw/zinc/82/24/85/1066822485.db2.gz PYJAVMCYGYTMMR-VXLYETTFSA-N 0 0 531.384 4.508 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000409048290 1066313899 /nfs/dbraw/zinc/31/38/99/1066313899.db2.gz SFVUYBTYVCNJFO-XDHOZWIPSA-N 0 0 533.375 4.674 40 30 KJEBRN C#CCn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)c2cc(C)ccc21 ZINC000409048473 1066821546 /nfs/dbraw/zinc/82/15/46/1066821546.db2.gz WTMCYGKSWFIEHL-PKYOQBLNSA-N 0 0 537.685 4.736 40 30 KJEBRN C#CCn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)c2cc(C)ccc21 ZINC000409048476 1066821570 /nfs/dbraw/zinc/82/15/70/1066821570.db2.gz WTMCYGKSWFIEHL-USDTVRPUSA-N 0 0 537.685 4.736 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C#N)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048847 1066813357 /nfs/dbraw/zinc/81/33/57/1066813357.db2.gz PFISZOGXOAIPTR-GHLYMGRZSA-N 0 0 746.636 4.962 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C#N)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409048848 1066813333 /nfs/dbraw/zinc/81/33/33/1066813333.db2.gz PFISZOGXOAIPTR-MLCIDIQUSA-N 0 0 746.636 4.962 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000409048900 1066313704 /nfs/dbraw/zinc/31/37/04/1066313704.db2.gz UYFQGVVWPHYTJB-LDADJPATSA-N 0 0 505.333 4.548 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3c(C)n(Cc4ccccc4C#N)c4ccccc34)sc2=N1 ZINC000409049104 1066821056 /nfs/dbraw/zinc/82/10/56/1066821056.db2.gz PYJKZWZEQQSYQI-MRWVFDTMSA-N 0 0 572.690 4.981 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3c(C)n(Cc4ccccc4C#N)c4ccccc34)sc2=N1 ZINC000409049105 1066821121 /nfs/dbraw/zinc/82/11/21/1066821121.db2.gz PYJKZWZEQQSYQI-NBQDTTAVSA-N 0 0 572.690 4.981 40 30 KJEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000409049111 1066821097 /nfs/dbraw/zinc/82/10/97/1066821097.db2.gz QAHDNAZPDCRGMF-CRCYZHLCSA-N 0 0 657.583 4.930 40 30 KJEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000409049112 1066821127 /nfs/dbraw/zinc/82/11/27/1066821127.db2.gz QAHDNAZPDCRGMF-FQKMCRJQSA-N 0 0 657.583 4.930 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409049115 1066821143 /nfs/dbraw/zinc/82/11/43/1066821143.db2.gz QCBJPEHCCBUSEH-CJIXEESDSA-N 0 0 797.462 4.681 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409049116 1066313510 /nfs/dbraw/zinc/31/35/10/1066313510.db2.gz QCBJPEHCCBUSEH-ZDZYTSRMSA-N 0 0 797.462 4.681 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409049259 1066821142 /nfs/dbraw/zinc/82/11/42/1066821142.db2.gz YOWHXOWJAQJQHI-BDYBYDPESA-N 0 0 704.805 4.932 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409049260 1066821074 /nfs/dbraw/zinc/82/10/74/1066821074.db2.gz YOWHXOWJAQJQHI-ONUQRGFXSA-N 0 0 704.805 4.932 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409049385 1066820506 /nfs/dbraw/zinc/82/05/06/1066820506.db2.gz QOWFQPKUGGDAJP-MFCBUNOESA-N 0 0 657.583 4.930 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409049387 1066820421 /nfs/dbraw/zinc/82/04/21/1066820421.db2.gz QOWFQPKUGGDAJP-SUAMDDGLSA-N 0 0 657.583 4.930 40 30 KJEBRN COC(=O)c1cccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)c1 ZINC000409049555 1066813370 /nfs/dbraw/zinc/81/33/70/1066813370.db2.gz WMCNLBJBZRQAEM-HRLVQISFSA-N 0 0 502.526 4.959 40 30 KJEBRN COC(=O)c1cccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)c1 ZINC000409049556 1066819947 /nfs/dbraw/zinc/81/99/47/1066819947.db2.gz WMCNLBJBZRQAEM-LKULFIKXSA-N 0 0 502.526 4.959 40 30 KJEBRN COC(=O)c1cccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)c1 ZINC000409049557 195496453 /nfs/dbraw/zinc/49/64/53/195496453.db2.gz WMCNLBJBZRQAEM-PRCJZZLJSA-N 0 0 502.526 4.959 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)C1=O ZINC000409049639 1066314316 /nfs/dbraw/zinc/31/43/16/1066314316.db2.gz XMFGPQAECZBNRR-WOJGMQOQSA-N 0 0 523.323 4.687 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(I)c1OC ZINC000409049995 1066819337 /nfs/dbraw/zinc/81/93/37/1066819337.db2.gz ZGTXXHSMIDKFIN-FWXBDEBKSA-N 0 0 578.406 4.925 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(I)c1OC ZINC000409049998 1066819348 /nfs/dbraw/zinc/81/93/48/1066819348.db2.gz ZGTXXHSMIDKFIN-JHUPEGBYSA-N 0 0 578.406 4.925 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(I)c1OC ZINC000409050000 195498105 /nfs/dbraw/zinc/49/81/05/195498105.db2.gz ZGTXXHSMIDKFIN-ZIDZTJELSA-N 0 0 578.406 4.925 40 30 KJEBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1ccccc1C#N ZINC000409050358 1066819216 /nfs/dbraw/zinc/81/92/16/1066819216.db2.gz UYJMIQQCQVHFSQ-JLKMOJGBSA-N 0 0 579.678 4.648 40 30 KJEBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1ccccc1C#N ZINC000409050359 195499354 /nfs/dbraw/zinc/49/93/54/195499354.db2.gz UYJMIQQCQVHFSQ-UNDLXJOSSA-N 0 0 579.678 4.648 40 30 KJEBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3c(C)n(Cc4ccc(C#N)cc4)c4ccccc34)sc2=N1 ZINC000409050442 1066818811 /nfs/dbraw/zinc/81/88/11/1066818811.db2.gz VROPRYXJENAGQW-MRWVFDTMSA-N 0 0 572.690 4.981 40 30 KJEBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3c(C)n(Cc4ccc(C#N)cc4)c4ccccc34)sc2=N1 ZINC000409050443 1066818685 /nfs/dbraw/zinc/81/86/85/1066818685.db2.gz VROPRYXJENAGQW-NBQDTTAVSA-N 0 0 572.690 4.981 40 30 KJEBRN COc1c(I)cc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409050594 195500166 /nfs/dbraw/zinc/50/01/66/195500166.db2.gz XOAINCRZCVRKAN-IPBDZQFASA-N 0 0 522.984 4.776 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409050644 1066812700 /nfs/dbraw/zinc/81/27/00/1066812700.db2.gz YBZVGTFVCDFPAG-ASZHOJRSSA-N 0 0 750.462 4.839 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409050645 1066812864 /nfs/dbraw/zinc/81/28/64/1066812864.db2.gz YBZVGTFVCDFPAG-RNECYNAXSA-N 0 0 750.462 4.839 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409050740 195500704 /nfs/dbraw/zinc/50/07/04/195500704.db2.gz ZDQXYNZXMZAHQO-HYARGMPZSA-N 0 0 526.567 4.900 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(NC(=O)c3ccccc3C)=C(C(=O)OCC)C2=O)cc1OCC ZINC000409050970 1066314266 /nfs/dbraw/zinc/31/42/66/1066314266.db2.gz FPDCORVFSGCVIJ-QNGOZBTKSA-N 0 0 617.461 4.872 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Br)ccc2OCC#N)C1=O ZINC000409050975 195501199 /nfs/dbraw/zinc/50/11/99/195501199.db2.gz FREOPUSLKTWZIE-PDGQHHTCSA-N 0 0 547.814 4.866 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(Br)cc(OCC)c2O)C1=O ZINC000409050992 1066818761 /nfs/dbraw/zinc/81/87/61/1066818761.db2.gz GIOQMYCNZZGPJF-WQRHYEAKSA-N 0 0 532.412 4.723 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(NC(=O)c3ccccc3)=C(C(=O)OCC)C2=O)cc1OCC ZINC000409051002 1066818779 /nfs/dbraw/zinc/81/87/79/1066818779.db2.gz GPFIAQVVJPVDAE-HKWRFOASSA-N 0 0 556.434 4.721 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(NC(=O)c2ccccc2C)=C(C(=O)OCC)C1=O ZINC000409051030 1066818769 /nfs/dbraw/zinc/81/87/69/1066818769.db2.gz HACMRRSRYFJFMM-ZHZULCJRSA-N 0 0 526.408 4.631 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=C2\SC(NC(=O)c3ccccc3)=C(C(=O)OCC)C2=O)cc1Cl ZINC000409051219 1066818658 /nfs/dbraw/zinc/81/86/58/1066818658.db2.gz JIUDILYDCJISPA-AQTBWJFISA-N 0 0 502.375 4.867 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=C2\SC(NC(=O)c3ccccc3C)=C(C(=O)OCC)C2=O)cc1OC ZINC000409051230 1066818831 /nfs/dbraw/zinc/81/88/31/1066818831.db2.gz JMCNYSYOTYKOKM-ZHZULCJRSA-N 0 0 511.983 4.531 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(NC(=O)c3ccccc3C)=C(C(=O)OCC)C2=O)cc1OC ZINC000409051332 1066314222 /nfs/dbraw/zinc/31/42/22/1066314222.db2.gz KWLXZNULAACEMA-ZHZULCJRSA-N 0 0 556.434 4.640 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OCC ZINC000409051346 1066818749 /nfs/dbraw/zinc/81/87/49/1066818749.db2.gz CKUOCCLZFHEHMJ-HKWRFOASSA-N 0 0 549.386 4.817 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(OCC)c(OC)cc2C)C1=O ZINC000409051366 1066818814 /nfs/dbraw/zinc/81/88/14/1066818814.db2.gz LGPHORSIMQEORI-MOSHPQCFSA-N 0 0 501.988 4.917 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2ccc(O)c(I)c2)C1=O ZINC000409051440 1066818722 /nfs/dbraw/zinc/81/87/22/1066818722.db2.gz ABDNTLADKNRRRX-YBEGLDIGSA-N 0 0 555.777 4.512 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Br)ccc2OC)C1=O ZINC000409051529 1066818706 /nfs/dbraw/zinc/81/87/06/1066818706.db2.gz DTSFTUKNXHVRMF-BOPFTXTBSA-N 0 0 522.804 4.973 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(Br)ccc2OC)C1=O ZINC000409051562 195502361 /nfs/dbraw/zinc/50/23/61/195502361.db2.gz BGBHGUIDROXMGZ-PDGQHHTCSA-N 0 0 502.386 4.628 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(Br)c(OCC)c(OC)c2)C1=O ZINC000409051572 1066818740 /nfs/dbraw/zinc/81/87/40/1066818740.db2.gz BIAFVZDLMIBIIV-AQTBWJFISA-N 0 0 532.412 4.718 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2ccc(OCC)c(OCC)c2)C1=O ZINC000409051577 1066818785 /nfs/dbraw/zinc/81/87/85/1066818785.db2.gz FBVMFJDFUJEAGF-ZHZULCJRSA-N 0 0 501.988 4.999 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(Br)ccc2OCC#N)C1=O ZINC000409051663 1066818297 /nfs/dbraw/zinc/81/82/97/1066818297.db2.gz BYIBLASIFPRQCU-UYRXBGFRSA-N 0 0 527.396 4.521 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2ccc(OCC)cc2OCC)C1=O ZINC000409051697 195502918 /nfs/dbraw/zinc/50/29/18/195502918.db2.gz CBGHZFXYSZGOKU-MOSHPQCFSA-N 0 0 501.988 4.999 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=C2\SC(NC(=O)c3ccccc3Cl)=C(C(=O)OCC)C2=O)cc1OC ZINC000409051701 1066818356 /nfs/dbraw/zinc/81/83/56/1066818356.db2.gz FQOLBQYRCWWFTM-UYRXBGFRSA-N 0 0 532.401 4.876 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(NC(=O)c3ccccc3Cl)=C(C(=O)OCC)C2=O)cc1OC ZINC000409051777 1066818310 /nfs/dbraw/zinc/81/83/10/1066818310.db2.gz COMDWRLQYGCCDU-UYRXBGFRSA-N 0 0 576.852 4.985 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(OC)c(OC)cc2Br)C1=O ZINC000409051898 1066818252 /nfs/dbraw/zinc/81/82/52/1066818252.db2.gz OHWUQBWHHHAOFQ-ODLFYWEKSA-N 0 0 532.412 4.636 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(I)c(OCC)c(OCC)c2)C1=O ZINC000409051993 195503594 /nfs/dbraw/zinc/50/35/94/195503594.db2.gz HMDQWBVZOXIYJY-RGEXLXHISA-N 0 0 593.439 4.950 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Br)c(OC)cc2OC)C1=O ZINC000409052091 1066818244 /nfs/dbraw/zinc/81/82/44/1066818244.db2.gz QHCORSIYBKYELX-ZDLGFXPLSA-N 0 0 552.830 4.981 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(OC)c(OCC(=O)OC)cc2Br)C1=O ZINC000409052161 1066818233 /nfs/dbraw/zinc/81/82/33/1066818233.db2.gz QNUDREZXUIRKFI-GRSHGNNSSA-N 0 0 610.866 4.524 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(I)c(OCC)c(OC)c2)C1=O ZINC000409052305 1066818303 /nfs/dbraw/zinc/81/83/03/1066818303.db2.gz JGLNQGMADWFQOC-AQTBWJFISA-N 0 0 579.412 4.560 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1OC ZINC000409052333 1066817843 /nfs/dbraw/zinc/81/78/43/1066817843.db2.gz RXHDZNBGYWVBMX-UYRXBGFRSA-N 0 0 506.349 4.724 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(NC(=O)c3ccccc3)=C(C(=O)OCC)C2=O)cc1OC ZINC000409052354 1066817795 /nfs/dbraw/zinc/81/77/95/1066817795.db2.gz JSSYACNOKMNGQE-RGEXLXHISA-N 0 0 591.423 4.726 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2\SC(NC(=O)c3ccccc3Cl)=C(C(=O)OCC)C2=O)cc1OC ZINC000409052439 1066818338 /nfs/dbraw/zinc/81/83/38/1066818338.db2.gz SLPMZLKBWNQKRV-UNOMPAQXSA-N 0 0 671.893 4.757 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O ZINC000409052537 1066817694 /nfs/dbraw/zinc/81/76/94/1066817694.db2.gz IKALUVHGZRVJOS-BOPFTXTBSA-N 0 0 552.830 4.981 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(OC)c(Br)c2)C1=O ZINC000409052560 1066817786 /nfs/dbraw/zinc/81/77/86/1066817786.db2.gz UZHOJYNGVVSUSV-PDGQHHTCSA-N 0 0 502.386 4.628 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(I)c(O)c(OCC)c2)C1=O ZINC000409052739 1066817720 /nfs/dbraw/zinc/81/77/20/1066817720.db2.gz JJOMPIKBMQKRJZ-PDGQHHTCSA-N 0 0 579.412 4.565 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(I)c(O)c(OC)c2)C1=O ZINC000409052877 1066817757 /nfs/dbraw/zinc/81/77/57/1066817757.db2.gz IWEDQSXZBVIDRR-YBEGLDIGSA-N 0 0 585.803 4.520 40 30 KJEBRN C#CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3Cl)=C(C(=O)OCC)C2=O)cc1OCC ZINC000409053272 1066313317 /nfs/dbraw/zinc/31/33/17/1066313317.db2.gz NXEFWMQLAUIJPT-QNGOZBTKSA-N 0 0 511.983 4.612 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(Br)c(O)c(OCC)c2)C1=O ZINC000409053297 1066817136 /nfs/dbraw/zinc/81/71/36/1066817136.db2.gz OBUPPYNFBMAJOE-PDGQHHTCSA-N 0 0 532.412 4.723 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(OCC)c(OC)cc2Br)C1=O ZINC000409053339 1066313738 /nfs/dbraw/zinc/31/37/38/1066313738.db2.gz OQKLQNBPTRSZMY-UNOMPAQXSA-N 0 0 532.412 4.718 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Cl)c(O)c(OCC)c2)C1=O ZINC000409053512 1066817244 /nfs/dbraw/zinc/81/72/44/1066817244.db2.gz YYWANSJTOZOKNS-BOPFTXTBSA-N 0 0 508.379 4.959 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(OC)c(OC)cc2Br)C1=O ZINC000409053518 1066817238 /nfs/dbraw/zinc/81/72/38/1066817238.db2.gz KOXRPSQFXYDEFO-ZDLGFXPLSA-N 0 0 552.830 4.981 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(Br)cc(Cl)c2OC)C1=O ZINC000409053545 1066817307 /nfs/dbraw/zinc/81/73/07/1066817307.db2.gz ZJBCTBUQNNGUOU-YBEGLDIGSA-N 0 0 522.804 4.973 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(I)c(OC)c(OCC)c2)C1=O ZINC000409053727 1066817198 /nfs/dbraw/zinc/81/71/98/1066817198.db2.gz OTYBNHQQFJZVDQ-UYRXBGFRSA-N 0 0 593.439 4.868 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(I)c(O)c(OCC)c2)C1=O ZINC000409053861 1066315332 /nfs/dbraw/zinc/31/53/32/1066315332.db2.gz RDABOPCHVJOTCX-BOPFTXTBSA-N 0 0 599.830 4.910 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(I)c(OC)c(OCC)c2)C1=O ZINC000409053896 1066817288 /nfs/dbraw/zinc/81/72/88/1066817288.db2.gz RSKXHKCLWVXMRU-AQTBWJFISA-N 0 0 579.412 4.560 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(NC(=O)c3ccccc3)=C(C(=O)OCC)C2=O)cc1OCC ZINC000409053983 1066816817 /nfs/dbraw/zinc/81/68/17/1066816817.db2.gz PKLUTCNYVKPUQF-HKWRFOASSA-N 0 0 603.434 4.563 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2\SC(NC(=O)c3ccccc3Cl)=C(C(=O)OCC)C2=O)cc1Cl ZINC000409054011 1066816883 /nfs/dbraw/zinc/81/68/83/1066816883.db2.gz LLMAFMBQRDJLJM-UNOMPAQXSA-N 0 0 550.416 4.797 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(Br)c(OC)cc2OC)C1=O ZINC000409054030 1066817283 /nfs/dbraw/zinc/81/72/83/1066817283.db2.gz QDLBKPQDDWJUHU-ODLFYWEKSA-N 0 0 532.412 4.636 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(Br)c(OC)c(OCC)c2)C1=O ZINC000409054041 1066817209 /nfs/dbraw/zinc/81/72/09/1066817209.db2.gz QKMJHUFWUWOJMS-AQTBWJFISA-N 0 0 532.412 4.718 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O ZINC000409054176 1066816851 /nfs/dbraw/zinc/81/68/51/1066816851.db2.gz RYNRIRKBEGDEKI-PDGQHHTCSA-N 0 0 532.412 4.636 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC(=O)OC)cc1Cl ZINC000409054184 1066816831 /nfs/dbraw/zinc/81/68/31/1066816831.db2.gz HXZXGURHXHTJGI-WQRHYEAKSA-N 0 0 509.798 4.806 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000409054241 1066816779 /nfs/dbraw/zinc/81/67/79/1066816779.db2.gz TUVPNRMQCMWZQE-JCMHNJIXSA-N 0 0 517.563 4.864 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\SC(NC(=O)c3ccccc3)=C(C(=O)OCC)C2=O)cc1OC ZINC000409054257 1066816869 /nfs/dbraw/zinc/81/68/69/1066816869.db2.gz TZELJVBWXZTKNH-RGEXLXHISA-N 0 0 544.423 4.884 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(OC)c(O)cc2Br)C1=O ZINC000409054577 1066816203 /nfs/dbraw/zinc/81/62/03/1066816203.db2.gz SRUNCJIHYRSZOR-MFOYZWKCSA-N 0 0 538.803 4.678 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O ZINC000409054653 1066816827 /nfs/dbraw/zinc/81/68/27/1066816827.db2.gz VAOYLRDGNMUZNF-IUXPMGMMSA-N 0 0 536.787 4.693 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(I)c(OCC)c(OC)c2)C1=O ZINC000409054809 1066816146 /nfs/dbraw/zinc/81/61/46/1066816146.db2.gz VMGVSRCBSSDBME-UYRXBGFRSA-N 0 0 593.439 4.868 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(OC)c(OCC)cc2Br)C1=O ZINC000409054861 1066816288 /nfs/dbraw/zinc/81/62/88/1066816288.db2.gz WBLMIRAVSSAROR-UNOMPAQXSA-N 0 0 532.412 4.718 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1OCC ZINC000409054950 1066816214 /nfs/dbraw/zinc/81/62/14/1066816214.db2.gz WREFRXWQABKXFI-ZHZULCJRSA-N 0 0 567.376 4.956 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Br)ccc2O)C1=O ZINC000409055004 1066816130 /nfs/dbraw/zinc/81/61/30/1066816130.db2.gz OYMLUGONZBYFFQ-YBEGLDIGSA-N 0 0 508.777 4.670 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409055172 1066815720 /nfs/dbraw/zinc/81/57/20/1066815720.db2.gz KEVPNQWOHVXUKG-INJWXVQMSA-N 0 0 616.765 4.773 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409055175 1066815744 /nfs/dbraw/zinc/81/57/44/1066815744.db2.gz KEVPNQWOHVXUKG-ZCWBPALNSA-N 0 0 616.765 4.773 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O ZINC000409055234 1066815716 /nfs/dbraw/zinc/81/57/16/1066815716.db2.gz XUASHFLNRLEDMX-JLPGSUDCSA-N 0 0 510.571 4.999 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409055245 1066816102 /nfs/dbraw/zinc/81/61/02/1066816102.db2.gz DKRHYNBOTFZZEY-GKTKDVHMSA-N 0 0 616.765 4.773 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409055249 1066816162 /nfs/dbraw/zinc/81/61/62/1066816162.db2.gz DKRHYNBOTFZZEY-WQNUKSJVSA-N 0 0 616.765 4.773 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(Br)ccc2OCC)C1=O ZINC000409055362 1066815737 /nfs/dbraw/zinc/81/57/37/1066815737.db2.gz ZBVIRLVJNHPPJC-AQTBWJFISA-N 0 0 502.386 4.709 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O ZINC000409055387 1066815687 /nfs/dbraw/zinc/81/56/87/1066815687.db2.gz XYTXSCMIKQVTRO-ZDLGFXPLSA-N 0 0 508.379 4.872 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2ccc(OC)c(Br)c2)C1=O ZINC000409055530 1066316218 /nfs/dbraw/zinc/31/62/18/1066316218.db2.gz ZEDCEZTUSVQIHZ-BOPFTXTBSA-N 0 0 522.804 4.973 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409055578 1066815681 /nfs/dbraw/zinc/81/56/81/1066815681.db2.gz CMJJTHFGYNZMBF-LXYLXTGBSA-N 0 0 586.739 4.764 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409055587 1066815730 /nfs/dbraw/zinc/81/57/30/1066815730.db2.gz CMJJTHFGYNZMBF-XGLZOBASSA-N 0 0 586.739 4.764 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(OCC)c(O)cc2Br)C1=O ZINC000409055635 1066315853 /nfs/dbraw/zinc/31/58/53/1066315853.db2.gz ZYMOYOHSJCHMEL-ODLFYWEKSA-N 0 0 532.412 4.723 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OCC ZINC000409055668 1066815667 /nfs/dbraw/zinc/81/56/67/1066815667.db2.gz CYFVOQICOLCOKQ-UYRXBGFRSA-N 0 0 535.359 4.951 40 30 KJEBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C#N)c(I)c1 ZINC000409056066 1066815128 /nfs/dbraw/zinc/81/51/28/1066815128.db2.gz DTICTQPOVGWPMZ-OYKKKHCWSA-N 0 0 639.471 4.898 40 30 KJEBRN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3C#N)N(CC(=O)OC)C2=S)cc1 ZINC000409056122 1066814987 /nfs/dbraw/zinc/81/49/87/1066814987.db2.gz GJCVBILVCIENTH-XYGWBWBKSA-N 0 0 511.603 4.847 40 30 KJEBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 ZINC000409056172 1066814488 /nfs/dbraw/zinc/81/44/88/1066814488.db2.gz GLHUYOPQDRDTJK-QRVIBDJDSA-N 0 0 548.020 4.947 40 30 KJEBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)C1=O ZINC000409056211 1066814498 /nfs/dbraw/zinc/81/44/98/1066814498.db2.gz LCZWXSSTRPZAPZ-RGVLZGJSSA-N 0 0 592.411 4.740 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(I)cc(I)c2OC)C1=O ZINC000409056645 1066813953 /nfs/dbraw/zinc/81/39/53/1066813953.db2.gz SLQLSMWFYJEIIG-YBEGLDIGSA-N 0 0 661.255 4.766 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc1OCC ZINC000409056802 1066813927 /nfs/dbraw/zinc/81/39/27/1066813927.db2.gz IIZOEEONEPPWEA-STZFKDTASA-N 0 0 557.466 4.570 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409056815 1066814008 /nfs/dbraw/zinc/81/40/08/1066814008.db2.gz IZNMKOMIMWIQDX-LXYLXTGBSA-N 0 0 586.739 4.764 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409056817 1066813819 /nfs/dbraw/zinc/81/38/19/1066813819.db2.gz IZNMKOMIMWIQDX-XGLZOBASSA-N 0 0 586.739 4.764 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc1OC ZINC000409057704 1066825077 /nfs/dbraw/zinc/82/50/77/1066825077.db2.gz KRNVEARJGHTAEP-MOSHPQCFSA-N 0 0 545.455 4.733 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000409057885 1066824654 /nfs/dbraw/zinc/82/46/54/1066824654.db2.gz WYTTXQYZAAZWCE-JAYSWQADSA-N 0 0 556.713 4.756 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000409057918 1066824628 /nfs/dbraw/zinc/82/46/28/1066824628.db2.gz WYTTXQYZAAZWCE-KEQCBNTKSA-N 0 0 556.713 4.756 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409058144 1066315002 /nfs/dbraw/zinc/31/50/02/1066315002.db2.gz RQBNLNSRVWSTBY-XDHOZWIPSA-N 0 0 564.357 4.847 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409058512 1066824090 /nfs/dbraw/zinc/82/40/90/1066824090.db2.gz NOBKXXQANFDGRA-JBDHCHCMSA-N 0 0 599.782 4.822 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409058516 1066823963 /nfs/dbraw/zinc/82/39/63/1066823963.db2.gz NOBKXXQANFDGRA-PIXWUVMMSA-N 0 0 599.782 4.822 40 30 KJEBRN COC(=O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)cc1 ZINC000409058682 1066824078 /nfs/dbraw/zinc/82/40/78/1066824078.db2.gz SNRJNVGGWJKEMZ-HRLVQISFSA-N 0 0 502.526 4.959 40 30 KJEBRN COC(=O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)cc1 ZINC000409058685 1066824019 /nfs/dbraw/zinc/82/40/19/1066824019.db2.gz SNRJNVGGWJKEMZ-LKULFIKXSA-N 0 0 502.526 4.959 40 30 KJEBRN COC(=O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)cc1 ZINC000409058690 1066824148 /nfs/dbraw/zinc/82/41/48/1066824148.db2.gz SNRJNVGGWJKEMZ-PRCJZZLJSA-N 0 0 502.526 4.959 40 30 KJEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409058750 1066824011 /nfs/dbraw/zinc/82/40/11/1066824011.db2.gz SVFAQIDCQUNPFM-XDHOZWIPSA-N 0 0 564.357 4.847 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc1OCC ZINC000409058801 1066824137 /nfs/dbraw/zinc/82/41/37/1066824137.db2.gz LHIXKCQGRRMIRK-STZFKDTASA-N 0 0 606.482 4.965 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Br)c(O)c(OC)c2)C1=O ZINC000409058863 1066824030 /nfs/dbraw/zinc/82/40/30/1066824030.db2.gz UGSPSMXUQMFAGH-YBEGLDIGSA-N 0 0 538.803 4.678 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(CC)cc2)C(=S)N1CC(=O)OC ZINC000409059466 1066203181 /nfs/dbraw/zinc/20/31/81/1066203181.db2.gz RJDKBFIPFCFJON-ZHZULCJRSA-N 0 0 515.429 4.724 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC(=O)OC)cc1OC ZINC000409059579 1066823134 /nfs/dbraw/zinc/82/31/34/1066823134.db2.gz QUNJZGKNKUGNTN-WQRHYEAKSA-N 0 0 507.395 4.714 40 30 KJEBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2C#N)c(OC)c1 ZINC000409059775 1066833893 /nfs/dbraw/zinc/83/38/93/1066833893.db2.gz OHIRCLZMKCCKAR-CFRMEGHHSA-N 0 0 669.497 4.907 40 30 KJEBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C1=O ZINC000409060274 1066832788 /nfs/dbraw/zinc/83/27/88/1066832788.db2.gz ZCSPFIALIBRANQ-AWQFTUOYSA-N 0 0 531.384 4.508 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)cc1OCC ZINC000409060502 1066315209 /nfs/dbraw/zinc/31/52/09/1066315209.db2.gz WSLGFMJQJAGPRQ-MOSHPQCFSA-N 0 0 561.454 4.569 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC(=O)OC)cc1OC ZINC000409060565 1066832835 /nfs/dbraw/zinc/83/28/35/1066832835.db2.gz UPMRAXAOZJZKCG-WQRHYEAKSA-N 0 0 598.846 4.666 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC(=O)OC)cc1OCC ZINC000409060869 1066832374 /nfs/dbraw/zinc/83/23/74/1066832374.db2.gz WUDUNHHDBYKGAS-UNOMPAQXSA-N 0 0 563.857 4.661 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=S)N1CC(=O)OC ZINC000409061099 1066832331 /nfs/dbraw/zinc/83/23/31/1066832331.db2.gz VEAPSIGVZUBABX-PDGQHHTCSA-N 0 0 521.820 4.815 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)cc1Br ZINC000409061102 1066317300 /nfs/dbraw/zinc/31/73/00/1066317300.db2.gz VGIRGOLOFQDSHW-UNOMPAQXSA-N 0 0 596.297 4.933 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc1OC ZINC000409061229 1066832279 /nfs/dbraw/zinc/83/22/79/1066832279.db2.gz YGIGVWQMCHJAJF-MOSHPQCFSA-N 0 0 592.455 4.575 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC(=O)OC)cc1OC ZINC000409061451 1066831738 /nfs/dbraw/zinc/83/17/38/1066831738.db2.gz XDUHEKZWNZGJRO-WQRHYEAKSA-N 0 0 551.846 4.824 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409061583 1066831817 /nfs/dbraw/zinc/83/18/17/1066831817.db2.gz GADHCENJFRNHBO-DJTCXORXSA-N 0 0 574.703 4.895 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409061584 1066831856 /nfs/dbraw/zinc/83/18/56/1066831856.db2.gz GADHCENJFRNHBO-LNXFQTKESA-N 0 0 574.703 4.895 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000409062046 1066831260 /nfs/dbraw/zinc/83/12/60/1066831260.db2.gz MOUBGRKKKQELJQ-INJWXVQMSA-N 0 0 616.765 4.773 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000409062047 1066831366 /nfs/dbraw/zinc/83/13/66/1066831366.db2.gz MOUBGRKKKQELJQ-ZCWBPALNSA-N 0 0 616.765 4.773 40 30 KJEBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C#N)c(Cl)c1 ZINC000409062344 1066830768 /nfs/dbraw/zinc/83/07/68/1066830768.db2.gz SHZWNMDSJIDFRX-OYKKKHCWSA-N 0 0 548.020 4.947 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409062345 1066830634 /nfs/dbraw/zinc/83/06/34/1066830634.db2.gz SICGDIQOZFTCAS-GKTKDVHMSA-N 0 0 646.791 4.782 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409062346 1066830735 /nfs/dbraw/zinc/83/07/35/1066830735.db2.gz SICGDIQOZFTCAS-WQNUKSJVSA-N 0 0 646.791 4.782 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000409062388 1066830795 /nfs/dbraw/zinc/83/07/95/1066830795.db2.gz SWQWNYDYWXSZEU-SEXPAEGTSA-N 0 0 562.742 4.817 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000409062389 1066830745 /nfs/dbraw/zinc/83/07/45/1066830745.db2.gz SWQWNYDYWXSZEU-XOBACGFXSA-N 0 0 562.742 4.817 40 30 KJEBRN CCN(CC)c1ccc(CN=Nc2nc(C)cc(COC)c2C#N)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409062822 1066830241 /nfs/dbraw/zinc/83/02/41/1066830241.db2.gz BIVAVKGYEYVZPD-OKCVXOCRSA-N 0 0 545.600 4.626 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3ccccc3)NC2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409063243 1066830331 /nfs/dbraw/zinc/83/03/31/1066830331.db2.gz JICMHJZZVDLMJL-LPYMAVHISA-N 0 0 504.524 4.513 40 30 KJEBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2C#N)c(OC)c1 ZINC000409063680 1066829828 /nfs/dbraw/zinc/82/98/28/1066829828.db2.gz AYDGSXABXWNBAV-CFRMEGHHSA-N 0 0 578.046 4.955 40 30 KJEBRN CCN(CC)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409064259 1066829042 /nfs/dbraw/zinc/82/90/42/1066829042.db2.gz ORDOADKXDSCBEI-WGOQTCKBSA-N 0 0 506.519 4.813 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000409064426 1066829064 /nfs/dbraw/zinc/82/90/64/1066829064.db2.gz PLPYFXWADROEGY-YDZHTSKRSA-N 0 0 534.550 4.521 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409064634 1066828521 /nfs/dbraw/zinc/82/85/21/1066828521.db2.gz IMIAYHAFOQGFMV-LGJNPRDNSA-N 0 0 575.363 4.765 40 30 KJEBRN CCOC(=O)COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1I ZINC000409064733 1066828531 /nfs/dbraw/zinc/82/85/31/1066828531.db2.gz DXQFWPXCSWREOX-NUGSKGIGSA-N 0 0 537.232 4.606 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409065058 1066825470 /nfs/dbraw/zinc/82/54/70/1066825470.db2.gz GXLLKAFTAHBXDI-XDHOZWIPSA-N 0 0 564.401 4.848 40 30 KJEBRN COC(=O)COc1c(I)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1I ZINC000409065364 1066316754 /nfs/dbraw/zinc/31/67/54/1066316754.db2.gz KYZTXDBSEXEPPG-HCGXMYGOSA-N 0 0 649.101 4.821 40 30 KJEBRN CCN(CC)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409065480 1066827207 /nfs/dbraw/zinc/82/72/07/1066827207.db2.gz SPIHEQIOGHBDSX-CVKSISIWSA-N 0 0 551.516 4.721 40 30 KJEBRN CCCOc1c(I)cc(CN=Nc2nc(C)cc(COC)c2C#N)cc1OCC ZINC000409065840 1066316615 /nfs/dbraw/zinc/31/66/15/1066316615.db2.gz URXLZBKAXOOZBM-MSXFZWOLSA-N 0 0 508.360 4.646 40 30 KJEBRN C=CCc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000409065879 1066827390 /nfs/dbraw/zinc/82/73/90/1066827390.db2.gz KWXOAKUJOHFYQA-UHFFFAOYSA-N 0 0 519.619 4.892 40 30 KJEBRN CCN(CC)c1ccc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409065919 1066826796 /nfs/dbraw/zinc/82/67/96/1066826796.db2.gz VFUKGYDIXCGQEQ-ACXHZZMFSA-N 0 0 574.663 4.991 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000409066878 1066316462 /nfs/dbraw/zinc/31/64/62/1066316462.db2.gz MWIOQDRYOBABNO-DHRITJCHSA-N 0 0 514.336 4.615 40 30 KJEBRN CCN(CC)c1ccc(CN=Nc2ncc(F)c(N3CCOCC3)n2)c(OCc2ccc(I)cc2)c1 ZINC000409066941 1066825982 /nfs/dbraw/zinc/82/59/82/1066825982.db2.gz IAHWUZMUIQEJCO-UHBFCERESA-N 0 0 604.468 4.928 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409067039 1066316406 /nfs/dbraw/zinc/31/64/06/1066316406.db2.gz OTLUWGOLSVYBDW-FOKLQQMPSA-N 0 0 502.281 4.694 40 30 KJEBRN CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)ccc1OCc1ccccc1C#N ZINC000409067066 1066826197 /nfs/dbraw/zinc/82/61/97/1066826197.db2.gz JBJDYOYJNISNTH-MYYYXRDXSA-N 0 0 557.628 4.692 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/SC(=O)N(CC)C2=O)cc1I ZINC000409067541 1066845573 /nfs/dbraw/zinc/84/55/73/1066845573.db2.gz RFOLXDAMISVQKT-XYOKQWHBSA-N 0 0 541.148 4.517 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1cccc(C)c1 ZINC000409068382 1066317164 /nfs/dbraw/zinc/31/71/64/1066317164.db2.gz RARXBQUDZJALCD-WYMPLXKRSA-N 0 0 518.311 4.936 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccccc1 ZINC000409068639 1066843997 /nfs/dbraw/zinc/84/39/97/1066843997.db2.gz HLGFSRLRBGTETP-UHFFFAOYSA-N 0 0 507.608 4.896 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)Nc3ccccc3)cc2Br)C1=O ZINC000409068758 1066844342 /nfs/dbraw/zinc/84/43/42/1066844342.db2.gz HVYIZZZGWDVLMZ-YBFXNURJSA-N 0 0 503.374 4.698 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O ZINC000409068769 1066844282 /nfs/dbraw/zinc/84/42/82/1066844282.db2.gz VHSJMEOXRKPMRL-LDADJPATSA-N 0 0 550.374 4.540 40 30 KJEBRN O=C1CCCC2=C1C(c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C1=C(CCCC1=O)N2 ZINC000409068887 1066844228 /nfs/dbraw/zinc/84/42/28/1066844228.db2.gz JZXMRHXEYPDOIK-UHFFFAOYSA-N 0 0 528.424 4.918 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409069067 1066843601 /nfs/dbraw/zinc/84/36/01/1066843601.db2.gz VUAVKWJLDNHCLQ-MNUWJXFPSA-N 0 0 545.411 4.896 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409069069 1066843562 /nfs/dbraw/zinc/84/35/62/1066843562.db2.gz VUAVKWJLDNHCLQ-YVJZOELXSA-N 0 0 545.411 4.896 40 30 KJEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OCC(=O)OC ZINC000409070366 1066842342 /nfs/dbraw/zinc/84/23/42/1066842342.db2.gz FRTNBNRRNPHEHH-PGGKNCGUSA-N 0 0 520.258 4.773 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1I ZINC000409070621 1066841870 /nfs/dbraw/zinc/84/18/70/1066841870.db2.gz CVOIAXKAVJSKAW-CXUHLZMHSA-N 0 0 604.569 4.659 40 30 KJEBRN O=C1CCCC2=C1C(c1ccc(OS(=O)(=O)c3ccccc3)c(Br)c1)C1=C(CCCC1=O)N2 ZINC000409070740 1066841866 /nfs/dbraw/zinc/84/18/66/1066841866.db2.gz GQCCCYBLBPNNSF-UHFFFAOYSA-N 0 0 528.424 4.918 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc1Cl ZINC000409070884 1066841239 /nfs/dbraw/zinc/84/12/39/1066841239.db2.gz NNYQOBCWLYRIBV-MOSHPQCFSA-N 0 0 503.407 4.715 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409071005 1066841045 /nfs/dbraw/zinc/84/10/45/1066841045.db2.gz ZWJBXKPGIRVKCB-NWGMWSOJSA-N 0 0 512.540 4.509 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409071015 1066841109 /nfs/dbraw/zinc/84/11/09/1066841109.db2.gz ZWJBXKPGIRVKCB-PCXKXAPESA-N 0 0 512.540 4.509 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1F ZINC000409071176 1066318486 /nfs/dbraw/zinc/31/84/86/1066318486.db2.gz ILJUSIVYSGIMKK-BHGWPJFGSA-N 0 0 522.274 4.767 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071225 1066840697 /nfs/dbraw/zinc/84/06/97/1066840697.db2.gz ISEFOOHWXBEHGE-NWGMWSOJSA-N 0 0 512.540 4.509 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071227 1066840527 /nfs/dbraw/zinc/84/05/27/1066840527.db2.gz ISEFOOHWXBEHGE-PCXKXAPESA-N 0 0 512.540 4.509 40 30 KJEBRN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409071293 1066841229 /nfs/dbraw/zinc/84/12/29/1066841229.db2.gz JEPFPLGIXSNOLZ-UHFFFAOYSA-N 0 0 513.999 4.817 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071658 1066840524 /nfs/dbraw/zinc/84/05/24/1066840524.db2.gz HVFWNJIKIMPAKN-CAUNFOBBSA-N 0 0 526.567 4.899 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071661 1066840648 /nfs/dbraw/zinc/84/06/48/1066840648.db2.gz HVFWNJIKIMPAKN-SITPEIFSSA-N 0 0 526.567 4.899 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc1OC ZINC000409071716 1066318597 /nfs/dbraw/zinc/31/85/97/1066318597.db2.gz PFRSOQGFRXYRHO-MOSHPQCFSA-N 0 0 501.004 4.623 40 30 KJEBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409071730 1066840597 /nfs/dbraw/zinc/84/05/97/1066840597.db2.gz PGAZVAONJZVUSQ-MYYYXRDXSA-N 0 0 541.629 4.856 40 30 KJEBRN C=CCOc1c(I)cc(C=NN2C(=S)N=NC2c2ccccc2)cc1OCC ZINC000409071750 1066839976 /nfs/dbraw/zinc/83/99/76/1066839976.db2.gz PJRVJAJGHXXZRZ-LPYMAVHISA-N 0 0 506.369 4.684 40 30 KJEBRN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409072288 1066840201 /nfs/dbraw/zinc/84/02/01/1066840201.db2.gz BOPRETGNUFCASW-UHFFFAOYSA-N 0 0 605.450 4.769 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1I ZINC000409074023 1066837849 /nfs/dbraw/zinc/83/78/49/1066837849.db2.gz RJDXMVPXSMYMLA-HCBMXOAHSA-N 0 0 619.119 4.698 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409074259 1066837915 /nfs/dbraw/zinc/83/79/15/1066837915.db2.gz POFAFLNKZAEYEU-RPPGKUMJSA-N 0 0 579.326 4.596 40 30 KJEBRN CCN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)C2=C1CCCC2=O ZINC000409074481 1066833872 /nfs/dbraw/zinc/83/38/72/1066833872.db2.gz ZVYPZOVPUGNZIS-UHFFFAOYSA-N 0 0 507.608 4.896 40 30 KJEBRN COc1c(I)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1I ZINC000409074535 1066317337 /nfs/dbraw/zinc/31/73/37/1066317337.db2.gz MTKDWPQGOFCSNQ-AERZKKPOSA-N 0 0 547.056 4.764 40 30 KJEBRN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409074780 1066837412 /nfs/dbraw/zinc/83/74/12/1066837412.db2.gz RLULBZYAANLPRV-UHFFFAOYSA-N 0 0 513.999 4.817 40 30 KJEBRN COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409075027 1066836557 /nfs/dbraw/zinc/83/65/57/1066836557.db2.gz WXFOETXTFPUHFL-UHFFFAOYSA-N 0 0 507.608 4.815 40 30 KJEBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409075126 1066836707 /nfs/dbraw/zinc/83/67/07/1066836707.db2.gz UVLXIYFXGQLQHQ-BEAUZRKQSA-N 0 0 674.254 4.944 40 30 KJEBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409075127 1066836547 /nfs/dbraw/zinc/83/65/47/1066836547.db2.gz UVLXIYFXGQLQHQ-KBSHCFNASA-N 0 0 674.254 4.944 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC(=O)OC)cc1OCC ZINC000409075200 1066836589 /nfs/dbraw/zinc/83/65/89/1066836589.db2.gz XHRZJOHGUPFJNM-UNOMPAQXSA-N 0 0 610.857 4.503 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409075407 1066836039 /nfs/dbraw/zinc/83/60/39/1066836039.db2.gz YILRXHMKFYGPET-UHFFFAOYSA-N 0 0 507.608 4.862 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409075476 1066836132 /nfs/dbraw/zinc/83/61/32/1066836132.db2.gz VZAOZTYVNYJYND-WYMPLXKRSA-N 0 0 563.308 4.926 40 30 KJEBRN COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409075478 1066836181 /nfs/dbraw/zinc/83/61/81/1066836181.db2.gz WASWKWRAMSEVEU-LPYMAVHISA-N 0 0 538.319 4.726 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2Br)C1=O ZINC000409076243 1066317897 /nfs/dbraw/zinc/31/78/97/1066317897.db2.gz AAGWBVZPQPZYSA-NDENLUEZSA-N 0 0 546.439 4.994 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409076252 1066835590 /nfs/dbraw/zinc/83/55/90/1066835590.db2.gz ABANOXVVHFUNDT-NDENLUEZSA-N 0 0 588.423 4.700 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(NC(=O)CCC)=C(C(=O)OCC)C2=O)cc1OCC ZINC000409076292 1066835065 /nfs/dbraw/zinc/83/50/65/1066835065.db2.gz AJCFZZNCANRASR-LGMDPLHJSA-N 0 0 571.433 4.603 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409076435 1066835069 /nfs/dbraw/zinc/83/50/69/1066835069.db2.gz BBVPHARXDYFZPL-JAYSWQADSA-N 0 0 604.482 4.701 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409076437 1066834983 /nfs/dbraw/zinc/83/49/83/1066834983.db2.gz BBVPHARXDYFZPL-KEQCBNTKSA-N 0 0 604.482 4.701 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409076588 1066835003 /nfs/dbraw/zinc/83/50/03/1066835003.db2.gz AUMSVGOEUWQKNP-MGSPXPDISA-N 0 0 648.373 4.897 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409076589 1066317750 /nfs/dbraw/zinc/31/77/50/1066317750.db2.gz AUMSVGOEUWQKNP-XPCGLTFESA-N 0 0 648.373 4.897 40 30 KJEBRN CCCN1C(=O)C(=Cc2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)NC1=S ZINC000409076621 1066835102 /nfs/dbraw/zinc/83/51/02/1066835102.db2.gz BGBSPGRNLCAZQO-ODLFYWEKSA-N 0 0 547.418 4.608 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OCC ZINC000409076848 1066834949 /nfs/dbraw/zinc/83/49/49/1066834949.db2.gz CMWZCHVXFLVRGZ-AQTBWJFISA-N 0 0 526.440 4.987 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409076955 1066834276 /nfs/dbraw/zinc/83/42/76/1066834276.db2.gz CPZLMXTVJLDMRT-BKUYFWCQSA-N 0 0 505.552 4.556 40 30 KJEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(COc3ccccc3[N+](=O)[O-])o1)C1c3ccccc3C2c2ccccc21 ZINC000409077023 1066834505 /nfs/dbraw/zinc/83/45/05/1066834505.db2.gz CNYRQLMSIURGJQ-ATFIRJAYSA-N 0 0 519.513 4.993 40 30 KJEBRN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(COc3ccccc3[N+](=O)[O-])o1)C1c3ccccc3C2c2ccccc21 ZINC000409077024 1066317814 /nfs/dbraw/zinc/31/78/14/1066317814.db2.gz CNYRQLMSIURGJQ-GYKMNYAOSA-N 0 0 519.513 4.993 40 30 KJEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(COc3ccccc3[N+](=O)[O-])o1)C1c3ccccc3C2c2ccccc21 ZINC000409077025 1066834335 /nfs/dbraw/zinc/83/43/35/1066834335.db2.gz CNYRQLMSIURGJQ-MMKWDCOCSA-N 0 0 519.513 4.993 40 30 KJEBRN COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409077141 1066834351 /nfs/dbraw/zinc/83/43/51/1066834351.db2.gz DBWQVBRDFFMKPV-MTJSOVHGSA-N 0 0 557.388 4.976 40 30 KJEBRN CC1=NOC(=O)/C1=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409077238 1066318073 /nfs/dbraw/zinc/31/80/73/1066318073.db2.gz DHJKBKCELODWOQ-NVNXTCNLSA-N 0 0 515.179 4.604 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000409077736 1066848803 /nfs/dbraw/zinc/84/88/03/1066848803.db2.gz GQHKNTLAFRBGRD-ACJNQYEBSA-N 0 0 614.123 4.947 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000409077738 1066317797 /nfs/dbraw/zinc/31/77/97/1066317797.db2.gz GQHKNTLAFRBGRD-HSUOJCLFSA-N 0 0 614.123 4.947 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000409077818 1066848810 /nfs/dbraw/zinc/84/88/10/1066848810.db2.gz GWXNZZPDSBLRJS-MOSHPQCFSA-N 0 0 501.988 4.885 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409078127 1066848184 /nfs/dbraw/zinc/84/81/84/1066848184.db2.gz GRQDTHJWLFIIJR-NDENLUEZSA-N 0 0 526.998 4.757 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccccc2OCc2ccc(Br)cc2)C1=O ZINC000409078175 1066848234 /nfs/dbraw/zinc/84/82/34/1066848234.db2.gz GVNUILORGBOTMZ-UYRXBGFRSA-N 0 0 516.413 4.986 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409078386 1066848245 /nfs/dbraw/zinc/84/82/45/1066848245.db2.gz CBJSBPJFZRTDOA-UNOMPAQXSA-N 0 0 516.959 4.785 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1I ZINC000409078550 1066320508 /nfs/dbraw/zinc/32/05/08/1066320508.db2.gz IPKJIKBHDJZXBB-CDCQXCROSA-N 0 0 613.280 4.841 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1I ZINC000409078551 1066847573 /nfs/dbraw/zinc/84/75/73/1066847573.db2.gz IPKJIKBHDJZXBB-ZENNRRHLSA-N 0 0 613.280 4.841 40 30 KJEBRN N#Cc1ccccc1COc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1I ZINC000409078753 1066847680 /nfs/dbraw/zinc/84/76/80/1066847680.db2.gz IBKSVJDDSSCGJN-BKUYFWCQSA-N 0 0 527.362 4.967 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OC ZINC000409078759 1066847700 /nfs/dbraw/zinc/84/77/00/1066847700.db2.gz CVZPLOYXWVCIEK-ATVHPVEESA-N 0 0 512.413 4.597 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1=O ZINC000409078925 1066320296 /nfs/dbraw/zinc/32/02/96/1066320296.db2.gz JEFXWXSTLBZXNA-MOSHPQCFSA-N 0 0 546.439 4.994 40 30 KJEBRN CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cc(OCC)c(OCC)cc2Br)S1 ZINC000409078973 1066847130 /nfs/dbraw/zinc/84/71/30/1066847130.db2.gz JUVHEMLLOFGMOK-BOPFTXTBSA-N 0 0 512.422 4.594 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409079021 1066847721 /nfs/dbraw/zinc/84/77/21/1066847721.db2.gz KGQNXMQDPPMFKN-GVMLUORFSA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409079023 1066847543 /nfs/dbraw/zinc/84/75/43/1066847543.db2.gz KGQNXMQDPPMFKN-KMBIYUNPSA-N 0 0 613.530 4.533 40 30 KJEBRN CC1=NOC(=O)/C1=C\c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1 ZINC000409079377 1066847104 /nfs/dbraw/zinc/84/71/04/1066847104.db2.gz FPDWMWRVNZMMMX-AUWJEWJLSA-N 0 0 515.179 4.604 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000409079848 1066846626 /nfs/dbraw/zinc/84/66/26/1066846626.db2.gz GPEHMKJBNXGRTH-JUNLCRQGSA-N 0 0 581.694 4.846 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OCC ZINC000409079849 1066846354 /nfs/dbraw/zinc/84/63/54/1066846354.db2.gz GPEHMKJBNXGRTH-RMNLPTLGSA-N 0 0 581.694 4.846 40 30 KJEBRN CC1=NOC(=O)/C1=C\c1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409079931 1066846494 /nfs/dbraw/zinc/84/64/94/1066846494.db2.gz GYICFUYYZQMJBJ-MLPAPPSSSA-N 0 0 535.597 4.949 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cc(OC)c(OCC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000409079959 1066846292 /nfs/dbraw/zinc/84/62/92/1066846292.db2.gz HBMJRZJCUWSHKD-JAYSWQADSA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cc(OC)c(OCC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000409079962 1066846410 /nfs/dbraw/zinc/84/64/10/1066846410.db2.gz HBMJRZJCUWSHKD-KEQCBNTKSA-N 0 0 613.530 4.533 40 30 KJEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(I)cc1)C1c3ccccc3C2c2ccccc21 ZINC000409080223 1066845864 /nfs/dbraw/zinc/84/58/64/1066845864.db2.gz MFXPARUEFQUBQZ-FQFCRJGYSA-N 0 0 504.327 4.517 40 30 KJEBRN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(I)cc1)C1c3ccccc3C2c2ccccc21 ZINC000409080227 1066845854 /nfs/dbraw/zinc/84/58/54/1066845854.db2.gz MFXPARUEFQUBQZ-MPSNRTQHSA-N 0 0 504.327 4.517 40 30 KJEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(I)cc1)C1c3ccccc3C2c2ccccc21 ZINC000409080228 1066845960 /nfs/dbraw/zinc/84/59/60/1066845960.db2.gz MFXPARUEFQUBQZ-VJKRPUOMSA-N 0 0 504.327 4.517 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409080368 1066845822 /nfs/dbraw/zinc/84/58/22/1066845822.db2.gz NIZMIPRCCMVPHQ-UNOMPAQXSA-N 0 0 638.436 4.745 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409080821 1066845379 /nfs/dbraw/zinc/84/53/79/1066845379.db2.gz OLGJHOQJKUPLFU-IAOUMNOZSA-N 0 0 614.521 4.657 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409080822 1066845301 /nfs/dbraw/zinc/84/53/01/1066845301.db2.gz OLGJHOQJKUPLFU-RYOBIWAXSA-N 0 0 614.521 4.657 40 30 KJEBRN CCOc1cc(/C=N/NC(N)=S)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409080914 1066319366 /nfs/dbraw/zinc/31/93/66/1066319366.db2.gz OGSNKBNCUCCKHZ-WYMPLXKRSA-N 0 0 505.381 4.589 40 30 KJEBRN CC1=NOC(=O)/C1=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409081025 1066856074 /nfs/dbraw/zinc/85/60/74/1066856074.db2.gz PBZAVIOUAIQTCA-AUWJEWJLSA-N 0 0 535.597 4.949 40 30 KJEBRN NC(=S)N/N=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000409081280 1066855427 /nfs/dbraw/zinc/85/54/27/1066855427.db2.gz KGGQNVNBHZNAOZ-AUEPDCJTSA-N 0 0 587.224 4.795 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000409081301 1066319068 /nfs/dbraw/zinc/31/90/68/1066319068.db2.gz PKSDJYFDLDHNCT-PDGQHHTCSA-N 0 0 503.418 4.814 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409081448 1066855547 /nfs/dbraw/zinc/85/55/47/1066855547.db2.gz OHKJKHZBRLUARR-DJTCXORXSA-N 0 0 767.436 4.593 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C1=O ZINC000409081500 1066855558 /nfs/dbraw/zinc/85/55/58/1066855558.db2.gz PRLPDTFRXKTZPW-NHDPSOOVSA-N 0 0 571.449 4.866 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409081744 1066854754 /nfs/dbraw/zinc/85/47/54/1066854754.db2.gz OHKJKHZBRLUARR-LNXFQTKESA-N 0 0 767.436 4.593 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\SC(NC(=O)CCC)=C(C(=O)OCC)C2=O)cc1OCC ZINC000409081882 1066319748 /nfs/dbraw/zinc/31/97/48/1066319748.db2.gz IEKBJOFOPIHIKR-LGMDPLHJSA-N 0 0 524.433 4.760 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409082182 1066854964 /nfs/dbraw/zinc/85/49/64/1066854964.db2.gz POPUDQMSMHCLOT-UNOMPAQXSA-N 0 0 516.959 4.785 40 30 KJEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cccc(I)c1)C1c3ccccc3C2c2ccccc21 ZINC000409082709 1066853507 /nfs/dbraw/zinc/85/35/07/1066853507.db2.gz TXLISKBOBADPAN-FQFCRJGYSA-N 0 0 504.327 4.517 40 30 KJEBRN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cccc(I)c1)C1c3ccccc3C2c2ccccc21 ZINC000409082714 1066853574 /nfs/dbraw/zinc/85/35/74/1066853574.db2.gz TXLISKBOBADPAN-MPSNRTQHSA-N 0 0 504.327 4.517 40 30 KJEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(I)c1)C1c3ccccc3C2c2ccccc21 ZINC000409082719 1066853561 /nfs/dbraw/zinc/85/35/61/1066853561.db2.gz TXLISKBOBADPAN-VJKRPUOMSA-N 0 0 504.327 4.517 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409082741 1066853548 /nfs/dbraw/zinc/85/35/48/1066853548.db2.gz NABLJTXGXDLIRL-DJTCXORXSA-N 0 0 675.985 4.642 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409082744 1066853757 /nfs/dbraw/zinc/85/37/57/1066853757.db2.gz NABLJTXGXDLIRL-LNXFQTKESA-N 0 0 675.985 4.642 40 30 KJEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409082989 1066853728 /nfs/dbraw/zinc/85/37/28/1066853728.db2.gz UKNDREVXPMUEIS-UNOMPAQXSA-N 0 0 575.380 4.720 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409083117 1066319938 /nfs/dbraw/zinc/31/99/38/1066319938.db2.gz KNXWARKNIVNNHL-UNOMPAQXSA-N 0 0 591.436 4.903 40 30 KJEBRN CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cc(Br)c(OCC)cc2OCC)S1 ZINC000409083124 1066853495 /nfs/dbraw/zinc/85/34/95/1066853495.db2.gz NNKIIOHDPURYEK-BOPFTXTBSA-N 0 0 512.422 4.594 40 30 KJEBRN CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)S1 ZINC000409083140 1066853476 /nfs/dbraw/zinc/85/34/76/1066853476.db2.gz NOVQGBOBNQCXGP-HMAPJEAMSA-N 0 0 519.579 4.946 40 30 KJEBRN CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)S1 ZINC000409083566 1066852924 /nfs/dbraw/zinc/85/29/24/1066852924.db2.gz LBDXGUBJKCPXNV-HAHDFKILSA-N 0 0 520.607 4.884 40 30 KJEBRN CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cc(Br)cc(Br)c2OC)S1 ZINC000409083826 1066852969 /nfs/dbraw/zinc/85/29/69/1066852969.db2.gz VUBRLEVLMKOBEJ-JYRVWZFOSA-N 0 0 533.238 4.568 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(Br)c1O ZINC000409083967 1066852285 /nfs/dbraw/zinc/85/22/85/1066852285.db2.gz WOEAJIKAEQXBRG-CFADGJLPSA-N 0 0 517.379 4.780 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(Br)c1O ZINC000409083975 1066852341 /nfs/dbraw/zinc/85/23/41/1066852341.db2.gz WOEAJIKAEQXBRG-MTCHKFKRSA-N 0 0 517.379 4.780 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(Br)c1O ZINC000409083982 1066852365 /nfs/dbraw/zinc/85/23/65/1066852365.db2.gz WOEAJIKAEQXBRG-YFLNJTSXSA-N 0 0 517.379 4.780 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O ZINC000409084326 1066851868 /nfs/dbraw/zinc/85/18/68/1066851868.db2.gz CPFVJVUNGZQAIB-LDADJPATSA-N 0 0 503.374 4.698 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\SC(NC(=O)CC)=C(C(=O)OCC)C2=O)cc1Br ZINC000409084619 1066320527 /nfs/dbraw/zinc/32/05/27/1066320527.db2.gz MMAOHSMPDKOVOQ-UVTDQMKNSA-N 0 0 545.249 4.734 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1I ZINC000409084627 1066851852 /nfs/dbraw/zinc/85/18/52/1066851852.db2.gz XRQPTWCKANVAMB-WJDWOHSUSA-N 0 0 594.256 4.851 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409085191 1066851131 /nfs/dbraw/zinc/85/11/31/1066851131.db2.gz NVVJYRRMNCSSLT-NDENLUEZSA-N 0 0 541.423 4.857 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409085602 1066851185 /nfs/dbraw/zinc/85/11/85/1066851185.db2.gz BZZIKTRCNKTLPS-OUPPTFFXSA-N 0 0 645.785 4.995 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409085603 1066851123 /nfs/dbraw/zinc/85/11/23/1066851123.db2.gz BZZIKTRCNKTLPS-ZTLWMONSSA-N 0 0 645.785 4.995 40 30 KJEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409085889 1066851137 /nfs/dbraw/zinc/85/11/37/1066851137.db2.gz OWDMZLHASBNLLR-BWMNNAECSA-N 0 0 505.825 4.917 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409086031 1066851207 /nfs/dbraw/zinc/85/12/07/1066851207.db2.gz UJVFQBANPAJMBU-JAYSWQADSA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409086035 1066851161 /nfs/dbraw/zinc/85/11/61/1066851161.db2.gz UJVFQBANPAJMBU-KEQCBNTKSA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1OC ZINC000409086158 1066320010 /nfs/dbraw/zinc/32/00/10/1066320010.db2.gz FZRAKSRUWZHAHI-MOSHPQCFSA-N 0 0 594.427 4.938 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409086184 1066850643 /nfs/dbraw/zinc/85/06/43/1066850643.db2.gz GHDBPUFYUNFXMU-PCLIKHOPSA-N 0 0 511.578 4.843 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000409086275 1066850734 /nfs/dbraw/zinc/85/07/34/1066850734.db2.gz YWJXMPIHJMJNKO-MOSHPQCFSA-N 0 0 501.988 4.885 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OCC ZINC000409086476 1066850670 /nfs/dbraw/zinc/85/06/70/1066850670.db2.gz ZSCWZLJLMCOJLB-ATVHPVEESA-N 0 0 512.413 4.645 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409086712 1066849980 /nfs/dbraw/zinc/84/99/80/1066849980.db2.gz WKNOZZBFQNUWAX-UNOMPAQXSA-N 0 0 561.410 4.894 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000409087409 1066870439 /nfs/dbraw/zinc/87/04/39/1066870439.db2.gz CJVYUYXBVUQIBS-UYRXBGFRSA-N 0 0 546.439 4.994 40 30 KJEBRN CCOc1cc(/C=N/NC(N)=S)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409088086 1066869910 /nfs/dbraw/zinc/86/99/10/1066869910.db2.gz FBSBGZXXIYJHLD-GZIVZEMBSA-N 0 0 524.211 4.743 40 30 KJEBRN CN1CCN(c2ccc(/C=N/c3sc4c(c3C(=O)NCc3ccco3)CCCC4)cc2[N+](=O)[O-])CC1 ZINC000409088361 1066869925 /nfs/dbraw/zinc/86/99/25/1066869925.db2.gz XFZPOKOGJFYRTH-LQKURTRISA-N 0 0 507.616 4.561 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409088965 1066868739 /nfs/dbraw/zinc/86/87/39/1066868739.db2.gz LGDAVDBKIUHRAF-GEYGMGCISA-N 0 0 652.773 4.580 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409088968 1066868746 /nfs/dbraw/zinc/86/87/46/1066868746.db2.gz LGDAVDBKIUHRAF-VNOBABJFSA-N 0 0 652.773 4.580 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)C1=O ZINC000409089055 1066868686 /nfs/dbraw/zinc/86/86/86/1066868686.db2.gz LPMUTSYSJMVVLG-CPNJWEJPSA-N 0 0 564.401 4.930 40 30 KJEBRN COc1cc(OC)c(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Br ZINC000409089286 1066868191 /nfs/dbraw/zinc/86/81/91/1066868191.db2.gz ZTMOJXWTVWCJTI-DSTAISPBSA-N 0 0 517.379 4.692 40 30 KJEBRN COc1cc(OC)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Br ZINC000409089287 1066868248 /nfs/dbraw/zinc/86/82/48/1066868248.db2.gz ZTMOJXWTVWCJTI-HMCYSDTQSA-N 0 0 517.379 4.692 40 30 KJEBRN COc1cc(OC)c(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Br ZINC000409089288 1066868131 /nfs/dbraw/zinc/86/81/31/1066868131.db2.gz ZTMOJXWTVWCJTI-ZGPJVUARSA-N 0 0 517.379 4.692 40 30 KJEBRN CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)S1 ZINC000409089356 1066321377 /nfs/dbraw/zinc/32/13/77/1066321377.db2.gz IAYBXGZKTVVKLL-VBKFSLOCSA-N 0 0 512.422 4.594 40 30 KJEBRN CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)CC1 ZINC000409089420 1066867551 /nfs/dbraw/zinc/86/75/51/1066867551.db2.gz IJIUXMJVHXBSKS-LQKURTRISA-N 0 0 507.616 4.561 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409089447 1066868234 /nfs/dbraw/zinc/86/82/34/1066868234.db2.gz MKZCSACAUOIYMT-JGTYQCAFSA-N 0 0 678.399 4.905 40 30 KJEBRN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409089451 1066868175 /nfs/dbraw/zinc/86/81/75/1066868175.db2.gz MKZCSACAUOIYMT-LYRGBEMXSA-N 0 0 678.399 4.905 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1cc(OC)c(OCC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000409089565 1066867469 /nfs/dbraw/zinc/86/74/69/1066867469.db2.gz JCAYXJYROAKNAY-DJTCXORXSA-N 0 0 690.410 4.743 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1cc(OC)c(OCC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000409089572 1066867435 /nfs/dbraw/zinc/86/74/35/1066867435.db2.gz JCAYXJYROAKNAY-LNXFQTKESA-N 0 0 690.410 4.743 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409089995 1066867404 /nfs/dbraw/zinc/86/74/04/1066867404.db2.gz PPUSZJVANSLWMH-GSTVVXAASA-N 0 0 622.747 4.571 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409089997 1066867412 /nfs/dbraw/zinc/86/74/12/1066867412.db2.gz PPUSZJVANSLWMH-SAGCDJCOSA-N 0 0 622.747 4.571 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OCC ZINC000409090184 1066866907 /nfs/dbraw/zinc/86/69/07/1066866907.db2.gz MCBWYBQNGQCRFZ-FMNVXAMXSA-N 0 0 531.437 4.635 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OCC ZINC000409090185 1066321359 /nfs/dbraw/zinc/32/13/59/1066321359.db2.gz MCBWYBQNGQCRFZ-RQNDZEIBSA-N 0 0 531.437 4.635 40 30 KJEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409090188 1066866998 /nfs/dbraw/zinc/86/69/98/1066866998.db2.gz MDEDCLQRZAUWRC-UNOMPAQXSA-N 0 0 528.380 4.878 40 30 KJEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409090277 1066321575 /nfs/dbraw/zinc/32/15/75/1066321575.db2.gz LXSFNPKJCAZDHP-PDGQHHTCSA-N 0 0 514.353 4.570 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409090336 1066866938 /nfs/dbraw/zinc/86/69/38/1066866938.db2.gz MJIXHUOPXWWFNR-UNOMPAQXSA-N 0 0 546.985 4.794 40 30 KJEBRN Fc1ccccc1COc1c(I)cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc1I ZINC000409090355 1066866956 /nfs/dbraw/zinc/86/69/56/1066866956.db2.gz MNGGVOBXTRIWHA-IPBVOBEMSA-N 0 0 677.231 4.826 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)c1 ZINC000409090436 1066866467 /nfs/dbraw/zinc/86/64/67/1066866467.db2.gz PLWFZRQJQNPXBG-PVPFEYIBSA-N 0 0 567.711 4.830 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)c1 ZINC000409090439 1066866381 /nfs/dbraw/zinc/86/63/81/1066866381.db2.gz PLWFZRQJQNPXBG-WYQLEPPDSA-N 0 0 567.711 4.830 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(NC(=O)CCC)=C(C(=O)OCC)C2=O)cc1I ZINC000409090455 1066866437 /nfs/dbraw/zinc/86/64/37/1066866437.db2.gz POBFJBVRBWQKTH-PTNGSMBKSA-N 0 0 653.276 4.808 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000409090541 1066866422 /nfs/dbraw/zinc/86/64/22/1066866422.db2.gz NTUIIZVSIZYXKJ-IAOUMNOZSA-N 0 0 691.547 4.508 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000409090543 1066866370 /nfs/dbraw/zinc/86/63/70/1066866370.db2.gz NTUIIZVSIZYXKJ-RYOBIWAXSA-N 0 0 691.547 4.508 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409090699 1066866453 /nfs/dbraw/zinc/86/64/53/1066866453.db2.gz NLKAPCQKRMBDTP-UNOMPAQXSA-N 0 0 561.410 4.894 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409090849 1066866485 /nfs/dbraw/zinc/86/64/85/1066866485.db2.gz QRNOSOGABQHHAR-AQIZGWBQSA-N 0 0 645.959 4.634 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409090851 1066866405 /nfs/dbraw/zinc/86/64/05/1066866405.db2.gz QRNOSOGABQHHAR-ZDGAQAAHSA-N 0 0 645.959 4.634 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409090866 1066321505 /nfs/dbraw/zinc/32/15/05/1066321505.db2.gz QWMHHASRTDQKHK-UNOMPAQXSA-N 0 0 561.410 4.894 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000409090894 1066865791 /nfs/dbraw/zinc/86/57/91/1066865791.db2.gz RFMHYEOJWGWBOF-IAOUMNOZSA-N 0 0 600.096 4.557 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000409090895 1066865692 /nfs/dbraw/zinc/86/56/92/1066865692.db2.gz RFMHYEOJWGWBOF-RYOBIWAXSA-N 0 0 600.096 4.557 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409090947 1066865670 /nfs/dbraw/zinc/86/56/70/1066865670.db2.gz RUMAECDDLVSVCS-ZVBGSRNCSA-N 0 0 545.411 4.896 40 30 KJEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(OCC#N)ccc5ccccc54)c(=O)n32)cc1 ZINC000409091234 1066865320 /nfs/dbraw/zinc/86/53/20/1066865320.db2.gz RWYJIUSHMHJFGY-CXABMRDKSA-N 0 0 586.673 4.938 40 30 KJEBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(OCC#N)ccc5ccccc54)c(=O)n32)cc1 ZINC000409091235 1066865210 /nfs/dbraw/zinc/86/52/10/1066865210.db2.gz RWYJIUSHMHJFGY-GJKZIJEQSA-N 0 0 586.673 4.938 40 30 KJEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409091278 1066865289 /nfs/dbraw/zinc/86/52/89/1066865289.db2.gz PDCQBSSKSVHENJ-UYRXBGFRSA-N 0 0 575.380 4.802 40 30 KJEBRN CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409091303 1066865188 /nfs/dbraw/zinc/86/51/88/1066865188.db2.gz PGAZKEHVBKICOD-NVNXTCNLSA-N 0 0 500.754 4.585 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409091442 1066865298 /nfs/dbraw/zinc/86/52/98/1066865298.db2.gz ULVNZZJRZRXVOK-SVXDAGRPSA-N 0 0 589.721 4.744 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409091446 1066865283 /nfs/dbraw/zinc/86/52/83/1066865283.db2.gz ULVNZZJRZRXVOK-URFJJRPFSA-N 0 0 589.721 4.744 40 30 KJEBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)C1=O ZINC000409091482 1066864569 /nfs/dbraw/zinc/86/45/69/1066864569.db2.gz UTASJDKNYGOAPC-MEBUONCMSA-N 0 0 674.254 4.944 40 30 KJEBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)C1=O ZINC000409091484 1066864761 /nfs/dbraw/zinc/86/47/61/1066864761.db2.gz UTASJDKNYGOAPC-VGTRTNLYSA-N 0 0 674.254 4.944 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409091527 1066864668 /nfs/dbraw/zinc/86/46/68/1066864668.db2.gz QZBWICPLKMKMMA-LXYLXTGBSA-N 0 0 643.556 4.542 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409091529 1066864625 /nfs/dbraw/zinc/86/46/25/1066864625.db2.gz QZBWICPLKMKMMA-XGLZOBASSA-N 0 0 643.556 4.542 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409092012 1066863883 /nfs/dbraw/zinc/86/38/83/1066863883.db2.gz WVUBGCIISYHVSL-HXJASHHUSA-N 0 0 592.411 4.738 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409092013 1066864002 /nfs/dbraw/zinc/86/40/02/1066864002.db2.gz WVUBGCIISYHVSL-XLTHYULKSA-N 0 0 592.411 4.738 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409092025 1066864024 /nfs/dbraw/zinc/86/40/24/1066864024.db2.gz WYXBLWYUXJUYMN-DXUGRCAZSA-N 0 0 622.747 4.571 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409092027 1066863914 /nfs/dbraw/zinc/86/39/14/1066863914.db2.gz WYXBLWYUXJUYMN-KOHOJCOXSA-N 0 0 622.747 4.571 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000409092068 1066863920 /nfs/dbraw/zinc/86/39/20/1066863920.db2.gz SRMVKGPAOTUJKE-UYRXBGFRSA-N 0 0 516.413 4.986 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409092147 1066863925 /nfs/dbraw/zinc/86/39/25/1066863925.db2.gz VQIFSQKNKPGLFN-UNOMPAQXSA-N 0 0 561.410 4.894 40 30 KJEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409092263 1066864075 /nfs/dbraw/zinc/86/40/75/1066864075.db2.gz UUBQYXIQRZOPKT-UYRXBGFRSA-N 0 0 528.380 4.960 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409092386 1066320331 /nfs/dbraw/zinc/32/03/31/1066320331.db2.gz VGRJLRKTUNDZCA-NDENLUEZSA-N 0 0 618.449 4.708 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409092593 1066203612 /nfs/dbraw/zinc/20/36/12/1066203612.db2.gz VPQNZYVRJKPEEX-JBDHCHCMSA-N 0 0 657.583 4.932 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409092596 1066863613 /nfs/dbraw/zinc/86/36/13/1066863613.db2.gz VPQNZYVRJKPEEX-PIXWUVMMSA-N 0 0 657.583 4.932 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)c1 ZINC000409092717 1066863398 /nfs/dbraw/zinc/86/33/98/1066863398.db2.gz VZFMJPJXTJKUGS-JAYSWQADSA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409092719 1066863526 /nfs/dbraw/zinc/86/35/26/1066863526.db2.gz WIMOJUHQWSWVTI-UDWIEESQSA-N 0 0 501.402 4.872 40 30 KJEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)c1 ZINC000409092720 1066863598 /nfs/dbraw/zinc/86/35/98/1066863598.db2.gz VZFMJPJXTJKUGS-KEQCBNTKSA-N 0 0 613.530 4.533 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409092721 1066863515 /nfs/dbraw/zinc/86/35/15/1066863515.db2.gz WINCUAAMWFGITE-JGTYQCAFSA-N 0 0 648.373 4.897 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409092723 1066863556 /nfs/dbraw/zinc/86/35/56/1066863556.db2.gz WINCUAAMWFGITE-LYRGBEMXSA-N 0 0 648.373 4.897 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3ccc(I)cc3)cc2)C1=O ZINC000409092958 1066862823 /nfs/dbraw/zinc/86/28/23/1066862823.db2.gz YCUQNQKNQUKYMW-UYRXBGFRSA-N 0 0 563.413 4.828 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1I ZINC000409093142 1066862819 /nfs/dbraw/zinc/86/28/19/1066862819.db2.gz YEAFZHJANUUQBD-WJDWOHSUSA-N 0 0 578.188 4.686 40 30 KJEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000409093335 1066320587 /nfs/dbraw/zinc/32/05/87/1066320587.db2.gz YRTYJNWBUPQOFX-UYRXBGFRSA-N 0 0 516.413 4.986 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(I)cc1 ZINC000409093706 1066862248 /nfs/dbraw/zinc/86/22/48/1066862248.db2.gz BEVLMMXDFYBUPP-FSJBWODESA-N 0 0 504.284 4.628 40 30 KJEBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)c1 ZINC000409093811 1066862387 /nfs/dbraw/zinc/86/23/87/1066862387.db2.gz AIGPPPMZWWPXSU-YDZHTSKRSA-N 0 0 592.393 4.582 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409094072 1066862349 /nfs/dbraw/zinc/86/23/49/1066862349.db2.gz CXHHYKDUVSBGQP-WOJGMQOQSA-N 0 0 568.364 4.679 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409094269 1066861728 /nfs/dbraw/zinc/86/17/28/1066861728.db2.gz DBYNBZPBGFTHTQ-FOKLQQMPSA-N 0 0 575.419 4.748 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409094397 1066861219 /nfs/dbraw/zinc/86/12/19/1066861219.db2.gz CYKHZBCPRVCXJF-UDHMSBBDSA-N 0 0 615.759 4.987 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC ZINC000409094401 1066861207 /nfs/dbraw/zinc/86/12/07/1066861207.db2.gz CYKHZBCPRVCXJF-ZPMAPHDVSA-N 0 0 615.759 4.987 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409094431 1066861124 /nfs/dbraw/zinc/86/11/24/1066861124.db2.gz DSIMJDISQKKZLW-WOJGMQOQSA-N 0 0 521.364 4.837 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409094459 1066861228 /nfs/dbraw/zinc/86/12/28/1066861228.db2.gz FLJZQFDGJAPNPA-SXGWCWSVSA-N 0 0 510.715 4.615 40 30 KJEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(I)c1OCC(=O)OC ZINC000409094467 1066861149 /nfs/dbraw/zinc/86/11/49/1066861149.db2.gz DGTDPXBFHVFURD-PGGKNCGUSA-N 0 0 567.258 4.615 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1ccc(F)cc1 ZINC000409094522 1066861176 /nfs/dbraw/zinc/86/11/76/1066861176.db2.gz FKWGMXUINHNWGR-BHGWPJFGSA-N 0 0 522.274 4.767 40 30 KJEBRN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 ZINC000409094593 1066861115 /nfs/dbraw/zinc/86/11/15/1066861115.db2.gz FHIAKUMHJCJTRM-RAWKODRKSA-N 0 0 584.742 4.570 40 30 KJEBRN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 ZINC000409094594 1066861103 /nfs/dbraw/zinc/86/11/03/1066861103.db2.gz FHIAKUMHJCJTRM-XGLKJEJJSA-N 0 0 584.742 4.570 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409094973 1066860702 /nfs/dbraw/zinc/86/07/02/1066860702.db2.gz GQIHNJGEYMFVFJ-UDHMSBBDSA-N 0 0 615.759 4.987 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC ZINC000409094977 1066860766 /nfs/dbraw/zinc/86/07/66/1066860766.db2.gz GQIHNJGEYMFVFJ-ZPMAPHDVSA-N 0 0 615.759 4.987 40 30 KJEBRN CCOC(=O)COc1c(I)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409095006 1066860541 /nfs/dbraw/zinc/86/05/41/1066860541.db2.gz GULZOEUMZQNHKL-PGGKNCGUSA-N 0 0 567.258 4.615 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095164 1066859987 /nfs/dbraw/zinc/85/99/87/1066859987.db2.gz HCTLAUAYPFSSFY-QPJBPQEWSA-N 0 0 557.075 4.889 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095165 1066859933 /nfs/dbraw/zinc/85/99/33/1066859933.db2.gz HCTLAUAYPFSSFY-QTTRZTASSA-N 0 0 557.075 4.889 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409095443 1066859524 /nfs/dbraw/zinc/85/95/24/1066859524.db2.gz HXECFLKNUZNMIE-FOKLQQMPSA-N 0 0 502.281 4.694 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1 ZINC000409095505 1066859487 /nfs/dbraw/zinc/85/94/87/1066859487.db2.gz IDSWMQSLJOIGRX-FSJBWODESA-N 0 0 504.284 4.628 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000409095559 1066858899 /nfs/dbraw/zinc/85/88/99/1066858899.db2.gz DCFWKVDIILWNBR-RPPGKUMJSA-N 0 0 532.326 4.754 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409095560 1066858813 /nfs/dbraw/zinc/85/88/13/1066858813.db2.gz BMGHZPPSNWLSEU-CAUNFOBBSA-N 0 0 526.567 4.899 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409095565 1066859509 /nfs/dbraw/zinc/85/95/09/1066859509.db2.gz BMGHZPPSNWLSEU-SITPEIFSSA-N 0 0 526.567 4.899 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(I)c(OCC)c(I)c2)C1=O ZINC000409095607 1066859400 /nfs/dbraw/zinc/85/94/00/1066859400.db2.gz HVWIIROMZBCQQF-XYOKQWHBSA-N 0 0 541.148 4.517 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1I ZINC000409095765 1066858905 /nfs/dbraw/zinc/85/89/05/1066858905.db2.gz ITNRTZPPZWXLLB-OWXSRONMSA-N 0 0 769.443 4.886 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1I ZINC000409095768 1066858869 /nfs/dbraw/zinc/85/88/69/1066858869.db2.gz ITNRTZPPZWXLLB-ZMIGGIFCSA-N 0 0 769.443 4.886 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1OC ZINC000409095793 1066858831 /nfs/dbraw/zinc/85/88/31/1066858831.db2.gz JGPHPOYJWPANIH-DEDYPNTBSA-N 0 0 545.411 4.543 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)Nc3ccc(F)cc3)cc2Br)C1=O ZINC000409095998 1066858265 /nfs/dbraw/zinc/85/82/65/1066858265.db2.gz CDZJGJTWZAPHOW-VXLYETTFSA-N 0 0 521.364 4.837 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409096013 1066858196 /nfs/dbraw/zinc/85/81/96/1066858196.db2.gz JBPJZAZCVBIECM-ACJNQYEBSA-N 0 0 570.114 4.922 40 30 KJEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409096018 1066858319 /nfs/dbraw/zinc/85/83/19/1066858319.db2.gz JBPJZAZCVBIECM-HSUOJCLFSA-N 0 0 570.114 4.922 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409096119 1066858885 /nfs/dbraw/zinc/85/88/85/1066858885.db2.gz JNKHKWGMRPFOCN-LPYMAVHISA-N 0 0 526.567 4.899 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1OCC ZINC000409096696 1066857079 /nfs/dbraw/zinc/85/70/79/1066857079.db2.gz GKNXQBGZWJLLMW-KGENOOAVSA-N 0 0 559.438 4.934 40 30 KJEBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)c1 ZINC000409096722 1066856466 /nfs/dbraw/zinc/85/64/66/1066856466.db2.gz KVWCAGRPLKQXHP-YDZHTSKRSA-N 0 0 545.393 4.740 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409096786 1066856553 /nfs/dbraw/zinc/85/65/53/1066856553.db2.gz GPSFFELBNBFFMP-ASUJOLEISA-N 0 0 592.721 4.563 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409096793 1066856450 /nfs/dbraw/zinc/85/64/50/1066856450.db2.gz GPSFFELBNBFFMP-OGMUYLFESA-N 0 0 592.721 4.563 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409096897 1066856565 /nfs/dbraw/zinc/85/65/65/1066856565.db2.gz LLFGJECLXSTKCL-WYMPLXKRSA-N 0 0 563.308 4.926 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409096915 1066856530 /nfs/dbraw/zinc/85/65/30/1066856530.db2.gz LNZVWRAVTNMCCJ-NTWBUQQASA-N 0 0 566.123 4.721 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409096925 1066204297 /nfs/dbraw/zinc/20/42/97/1066204297.db2.gz LNZVWRAVTNMCCJ-XKGHIZKOSA-N 0 0 566.123 4.721 40 30 KJEBRN O=[N+]([O-])c1ccc(COc2ccc(CN=Nc3ncccc3[N+](=O)[O-])cc2I)cc1 ZINC000409097116 1066855957 /nfs/dbraw/zinc/85/59/57/1066855957.db2.gz HMKGXWVHGRALSP-SSDVNMTOSA-N 0 0 519.255 4.528 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br ZINC000409097186 1066856037 /nfs/dbraw/zinc/85/60/37/1066856037.db2.gz LRCRCKFZFLAVIH-WQRHYEAKSA-N 0 0 549.219 4.616 40 30 KJEBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000409097260 1066856087 /nfs/dbraw/zinc/85/60/87/1066856087.db2.gz IACWYOJHGSWARB-KEBDBYFISA-N 0 0 515.385 4.888 40 30 KJEBRN C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1Br ZINC000409097801 1066878239 /nfs/dbraw/zinc/87/82/39/1066878239.db2.gz OCFGICHNCLQBBE-DEDYPNTBSA-N 0 0 515.385 4.535 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409098174 1066877484 /nfs/dbraw/zinc/87/74/84/1066877484.db2.gz NXLMLPPIPQDTKQ-BFOKUZPWSA-N 0 0 721.617 4.891 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409098175 1066321918 /nfs/dbraw/zinc/32/19/18/1066321918.db2.gz NXLMLPPIPQDTKQ-CFEDROAVSA-N 0 0 721.617 4.891 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1I ZINC000409098213 1066322195 /nfs/dbraw/zinc/32/21/95/1066322195.db2.gz OSBSEJSLHOEOGC-GVMLUORFSA-N 0 0 799.469 4.895 40 30 KJEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1I ZINC000409098214 1066322154 /nfs/dbraw/zinc/32/21/54/1066322154.db2.gz OSBSEJSLHOEOGC-KMBIYUNPSA-N 0 0 799.469 4.895 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409098465 1066877534 /nfs/dbraw/zinc/87/75/34/1066877534.db2.gz LSRDDRGHCYTAKY-MFKUBSTISA-N 0 0 556.575 4.751 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409098765 1066877115 /nfs/dbraw/zinc/87/71/15/1066877115.db2.gz PFSJYNGLXZAAAU-BFOKUZPWSA-N 0 0 630.166 4.939 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409098767 1066877018 /nfs/dbraw/zinc/87/70/18/1066877018.db2.gz PFSJYNGLXZAAAU-CFEDROAVSA-N 0 0 630.166 4.939 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409098892 1066877025 /nfs/dbraw/zinc/87/70/25/1066877025.db2.gz REXZWJFLSGKQDL-PGGKNCGUSA-N 0 0 520.258 4.773 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1OCC ZINC000409098944 1066876482 /nfs/dbraw/zinc/87/64/82/1066876482.db2.gz MWFYHICOYZNPSH-KGENOOAVSA-N 0 0 514.987 4.824 40 30 KJEBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C1=O ZINC000409099155 1066876433 /nfs/dbraw/zinc/87/64/33/1066876433.db2.gz SGYYRMAEECJVAY-PCQWDSEFSA-N 0 0 531.384 4.506 40 30 KJEBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C1=O ZINC000409099160 1066876408 /nfs/dbraw/zinc/87/64/08/1066876408.db2.gz SGYYRMAEECJVAY-QOJWJBQSSA-N 0 0 531.384 4.506 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409099169 1066876453 /nfs/dbraw/zinc/87/64/53/1066876453.db2.gz QTLJIFXMLSNFQB-IAOUMNOZSA-N 0 0 571.102 4.813 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409099172 1066322683 /nfs/dbraw/zinc/32/26/83/1066322683.db2.gz QTLJIFXMLSNFQB-RYOBIWAXSA-N 0 0 571.102 4.813 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409099213 1066875828 /nfs/dbraw/zinc/87/58/28/1066875828.db2.gz QWPVGSTUKJSISP-FOKLQQMPSA-N 0 0 502.281 4.694 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409099396 1066875231 /nfs/dbraw/zinc/87/52/31/1066875231.db2.gz RZUNAWFWLNZJAR-DXUGRCAZSA-N 0 0 622.747 4.571 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409099397 1066875377 /nfs/dbraw/zinc/87/53/77/1066875377.db2.gz RZUNAWFWLNZJAR-KOHOJCOXSA-N 0 0 622.747 4.571 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409099470 1066875967 /nfs/dbraw/zinc/87/59/67/1066875967.db2.gz SSMMRLRURQZMDD-LGJNPRDNSA-N 0 0 528.363 4.923 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409099472 1066875883 /nfs/dbraw/zinc/87/58/83/1066875883.db2.gz SVDZRORDSMZBQH-HXJASHHUSA-N 0 0 545.411 4.896 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409099474 1066876008 /nfs/dbraw/zinc/87/60/08/1066876008.db2.gz SVDZRORDSMZBQH-XLTHYULKSA-N 0 0 545.411 4.896 40 30 KJEBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000409099476 1066875863 /nfs/dbraw/zinc/87/58/63/1066875863.db2.gz NRYYCKFYCOBNOJ-HAWPWTPLSA-N 0 0 666.800 4.970 40 30 KJEBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000409099479 1066876027 /nfs/dbraw/zinc/87/60/27/1066876027.db2.gz NRYYCKFYCOBNOJ-HWANIQDNSA-N 0 0 666.800 4.970 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409099496 1066875393 /nfs/dbraw/zinc/87/53/93/1066875393.db2.gz NTRARHVFBSXGDK-ASUJOLEISA-N 0 0 592.721 4.563 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409099498 1066875317 /nfs/dbraw/zinc/87/53/17/1066875317.db2.gz NTRARHVFBSXGDK-OGMUYLFESA-N 0 0 592.721 4.563 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409099516 1066875362 /nfs/dbraw/zinc/87/53/62/1066875362.db2.gz TXQMAWQFCVLDAM-DHRITJCHSA-N 0 0 514.336 4.615 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409099537 1066875370 /nfs/dbraw/zinc/87/53/70/1066875370.db2.gz UABYPJAWBXKTEV-LPYMAVHISA-N 0 0 526.567 4.899 40 30 KJEBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3ccccc3C#N)C2=O)c1 ZINC000409099577 1066875192 /nfs/dbraw/zinc/87/51/92/1066875192.db2.gz RCXBTSBJTUBQAI-YDZHTSKRSA-N 0 0 545.393 4.740 40 30 KJEBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000409099706 1066875385 /nfs/dbraw/zinc/87/53/85/1066875385.db2.gz SXJAVFVOQKIGHU-DUCIMOQJSA-N 0 0 636.774 4.962 40 30 KJEBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000409099708 1066875306 /nfs/dbraw/zinc/87/53/06/1066875306.db2.gz SXJAVFVOQKIGHU-XNMXCUJWSA-N 0 0 636.774 4.962 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409100326 1066874056 /nfs/dbraw/zinc/87/40/56/1066874056.db2.gz VFCNLLPMKMPNDS-ASUJOLEISA-N 0 0 592.721 4.563 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C#N)cc4)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409100328 1066874149 /nfs/dbraw/zinc/87/41/49/1066874149.db2.gz VFCNLLPMKMPNDS-OGMUYLFESA-N 0 0 592.721 4.563 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1c(OC)ccc3ccccc31)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409100360 1066874088 /nfs/dbraw/zinc/87/40/88/1066874088.db2.gz UTGPORCIOWHAPP-PVPFEYIBSA-N 0 0 567.711 4.830 40 30 KJEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1c(OC)ccc3ccccc31)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409100361 1066874044 /nfs/dbraw/zinc/87/40/44/1066874044.db2.gz UTGPORCIOWHAPP-WYQLEPPDSA-N 0 0 567.711 4.830 40 30 KJEBRN C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1OCC ZINC000409100383 1066874121 /nfs/dbraw/zinc/87/41/21/1066874121.db2.gz MZEFERIARIKUTA-JJIBRWJFSA-N 0 0 520.607 4.900 40 30 KJEBRN CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409100604 1066873235 /nfs/dbraw/zinc/87/32/35/1066873235.db2.gz QOHNFSJEEGHETL-VCHYOVAHSA-N 0 0 520.348 4.807 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409100690 1066873207 /nfs/dbraw/zinc/87/32/07/1066873207.db2.gz ROXOOYRCQFVEOD-SSDVNMTOSA-N 0 0 583.357 4.982 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409101024 1066323409 /nfs/dbraw/zinc/32/34/09/1066323409.db2.gz ONHPGMLJRVWXQK-RPPGKUMJSA-N 0 0 532.326 4.754 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409101082 1066323298 /nfs/dbraw/zinc/32/32/98/1066323298.db2.gz PLSMEHFBNWVGCR-FOKLQQMPSA-N 0 0 502.281 4.694 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409101201 1066872304 /nfs/dbraw/zinc/87/23/04/1066872304.db2.gz WIRNSOCXMVRQNL-ZMOGYAJESA-N 0 0 636.446 4.980 40 30 KJEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409101541 1066871764 /nfs/dbraw/zinc/87/17/64/1066871764.db2.gz YCXNVTJMAJOAPM-IEIVDPGYSA-N 0 0 609.748 4.676 40 30 KJEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409101543 1066871609 /nfs/dbraw/zinc/87/16/09/1066871609.db2.gz YCXNVTJMAJOAPM-LHMNITIUSA-N 0 0 609.748 4.676 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000409102168 1066870382 /nfs/dbraw/zinc/87/03/82/1066870382.db2.gz CWNQKLUAFYHDEN-LGJNPRDNSA-N 0 0 528.363 4.923 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409102562 1066886794 /nfs/dbraw/zinc/88/67/94/1066886794.db2.gz BDHQQPDDIAKXSJ-YBFXNURJSA-N 0 0 502.333 4.964 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1I ZINC000409102809 1066886764 /nfs/dbraw/zinc/88/67/64/1066886764.db2.gz UGTQTUHBEDODOO-XDHOZWIPSA-N 0 0 688.281 4.982 40 30 KJEBRN O=[N+]([O-])c1cccc(COc2ccc(CN=Nc3ncccc3[N+](=O)[O-])cc2I)c1 ZINC000409103083 1066886293 /nfs/dbraw/zinc/88/62/93/1066886293.db2.gz DFWRMRZUFJQGGO-SSDVNMTOSA-N 0 0 519.255 4.528 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409103145 1066885731 /nfs/dbraw/zinc/88/57/31/1066885731.db2.gz BAGRLISXGPBITL-PGGKNCGUSA-N 0 0 520.258 4.773 40 30 KJEBRN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 ZINC000409103511 1066885155 /nfs/dbraw/zinc/88/51/55/1066885155.db2.gz CAIOTRIDZNTAAO-ACJNQYEBSA-N 0 0 554.716 4.561 40 30 KJEBRN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 ZINC000409103513 1066885213 /nfs/dbraw/zinc/88/52/13/1066885213.db2.gz CAIOTRIDZNTAAO-HSUOJCLFSA-N 0 0 554.716 4.561 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409104010 1066885168 /nfs/dbraw/zinc/88/51/68/1066885168.db2.gz YBVXTCCKURQCMR-FSJBWODESA-N 0 0 530.968 4.639 40 30 KJEBRN C#CCOc1c(I)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409104045 1066321730 /nfs/dbraw/zinc/32/17/30/1066321730.db2.gz CXYYLWUNZWYBAS-AUEPDCJTSA-N 0 0 519.217 4.685 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409104096 1066884667 /nfs/dbraw/zinc/88/46/67/1066884667.db2.gz DKSHWSXTNOJCPP-CXUHLZMHSA-N 0 0 510.569 4.974 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409104282 1066884571 /nfs/dbraw/zinc/88/45/71/1066884571.db2.gz HFROAWXCJWQTLH-OWXSRONMSA-N 0 0 598.950 4.532 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409104284 1066884740 /nfs/dbraw/zinc/88/47/40/1066884740.db2.gz HFROAWXCJWQTLH-ZMIGGIFCSA-N 0 0 598.950 4.532 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409104407 1066884127 /nfs/dbraw/zinc/88/41/27/1066884127.db2.gz ZEGOMAMZIWSXAY-MFKUBSTISA-N 0 0 556.575 4.751 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409104518 1066322095 /nfs/dbraw/zinc/32/20/95/1066322095.db2.gz FPFFGWGNHSVCTD-BRJLIKDPSA-N 0 0 514.336 4.533 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1I ZINC000409104566 1066883745 /nfs/dbraw/zinc/88/37/45/1066883745.db2.gz FUTOHZOAVTWZRB-DEDYPNTBSA-N 0 0 564.401 4.930 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000409104586 1066883737 /nfs/dbraw/zinc/88/37/37/1066883737.db2.gz JWRRSFBERIPKSF-FWESEHMYSA-N 0 0 642.734 4.747 40 30 KJEBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409104587 1066883592 /nfs/dbraw/zinc/88/35/92/1066883592.db2.gz FXBCURMCRPXNJE-KEBDBYFISA-N 0 0 562.385 4.730 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000409104589 1066883674 /nfs/dbraw/zinc/88/36/74/1066883674.db2.gz JWRRSFBERIPKSF-OINPTKSXSA-N 0 0 642.734 4.747 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1cccc(F)c1 ZINC000409104733 1066883762 /nfs/dbraw/zinc/88/37/62/1066883762.db2.gz HSIKGUBEOQMYAI-BHGWPJFGSA-N 0 0 522.274 4.767 40 30 KJEBRN C=CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409104767 1066883113 /nfs/dbraw/zinc/88/31/13/1066883113.db2.gz FJLCCZNBWGETLD-YBFXNURJSA-N 0 0 532.359 4.973 40 30 KJEBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409105022 1066882676 /nfs/dbraw/zinc/88/26/76/1066882676.db2.gz HSUNWDOKIMCGBS-BUESGFEBSA-N 0 0 531.384 4.506 40 30 KJEBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409105023 1066882624 /nfs/dbraw/zinc/88/26/24/1066882624.db2.gz HSUNWDOKIMCGBS-UZPSYVQNSA-N 0 0 531.384 4.506 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409105034 1066882645 /nfs/dbraw/zinc/88/26/45/1066882645.db2.gz HYKOFJRSAYNBGP-HXJASHHUSA-N 0 0 500.960 4.787 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409105035 1066883089 /nfs/dbraw/zinc/88/30/89/1066883089.db2.gz HYKOFJRSAYNBGP-XLTHYULKSA-N 0 0 500.960 4.787 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1I ZINC000409105220 1066882604 /nfs/dbraw/zinc/88/26/04/1066882604.db2.gz JZSIPVFLXDCXQM-LICLKQGHSA-N 0 0 604.157 4.693 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409105413 1066881928 /nfs/dbraw/zinc/88/19/28/1066881928.db2.gz JBWXNRYUZFHVBF-PVPFEYIBSA-N 0 0 567.711 4.830 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409105415 1066882098 /nfs/dbraw/zinc/88/20/98/1066882098.db2.gz JBWXNRYUZFHVBF-WYQLEPPDSA-N 0 0 567.711 4.830 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409105450 1066882084 /nfs/dbraw/zinc/88/20/84/1066882084.db2.gz JQMHAJSXOPSLNK-ASSGYOTOSA-N 0 0 598.552 4.821 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409105451 1066881954 /nfs/dbraw/zinc/88/19/54/1066881954.db2.gz JQMHAJSXOPSLNK-OGRZUZBBSA-N 0 0 598.552 4.821 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409105989 1066881542 /nfs/dbraw/zinc/88/15/42/1066881542.db2.gz LYAUEYQFRANUAJ-CYGYJLBOSA-N 0 0 597.737 4.839 40 30 KJEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409105994 1066881457 /nfs/dbraw/zinc/88/14/57/1066881457.db2.gz LYAUEYQFRANUAJ-YOWYGEOISA-N 0 0 597.737 4.839 40 30 KJEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCC(=O)OC ZINC000409106100 1066880953 /nfs/dbraw/zinc/88/09/53/1066880953.db2.gz KUPXTOXMBWTCMW-PGGKNCGUSA-N 0 0 520.258 4.773 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409106130 1066881552 /nfs/dbraw/zinc/88/15/52/1066881552.db2.gz MMIATUZQVXXFRC-DXUGRCAZSA-N 0 0 622.747 4.571 40 30 KJEBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409106133 1066881598 /nfs/dbraw/zinc/88/15/98/1066881598.db2.gz MFHOLDJKIJIVPH-YDZHTSKRSA-N 0 0 513.623 4.746 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409106134 1066881641 /nfs/dbraw/zinc/88/16/41/1066881641.db2.gz MMIATUZQVXXFRC-KOHOJCOXSA-N 0 0 622.747 4.571 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409106257 1066881194 /nfs/dbraw/zinc/88/11/94/1066881194.db2.gz MYHIYGNGPSXGMS-OUPPTFFXSA-N 0 0 645.785 4.995 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C#N)cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409106258 1066880975 /nfs/dbraw/zinc/88/09/75/1066880975.db2.gz MYHIYGNGPSXGMS-ZTLWMONSSA-N 0 0 645.785 4.995 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409106332 1066881086 /nfs/dbraw/zinc/88/10/86/1066881086.db2.gz LHQSYBBWUHJNDO-ASUJOLEISA-N 0 0 592.721 4.563 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccccc1OC ZINC000409106334 1066881205 /nfs/dbraw/zinc/88/12/05/1066881205.db2.gz LHQSYBBWUHJNDO-OGMUYLFESA-N 0 0 592.721 4.563 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409106494 1066323861 /nfs/dbraw/zinc/32/38/61/1066323861.db2.gz NQVNBDNULOMKLK-FOKLQQMPSA-N 0 0 549.281 4.536 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000409106531 1066880308 /nfs/dbraw/zinc/88/03/08/1066880308.db2.gz NVIVPQZMKLDXEE-BRJLIKDPSA-N 0 0 514.336 4.533 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1 ZINC000409106583 1066880318 /nfs/dbraw/zinc/88/03/18/1066880318.db2.gz OCZLMOYDSCDKKL-WYMPLXKRSA-N 0 0 518.311 4.936 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1OCC ZINC000409106861 1066879803 /nfs/dbraw/zinc/87/98/03/1066879803.db2.gz NAZCOHWRRLLDGW-KGENOOAVSA-N 0 0 606.438 4.776 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409107181 1066879177 /nfs/dbraw/zinc/87/91/77/1066879177.db2.gz QSEMMRAYGVDLHJ-MFKUBSTISA-N 0 0 529.568 4.982 40 30 KJEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1C#N ZINC000409107339 1066887156 /nfs/dbraw/zinc/88/71/56/1066887156.db2.gz OVHSINRDCKXRHO-LGJNPRDNSA-N 0 0 543.321 4.890 40 30 KJEBRN COC(=O)COc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409107510 1066895305 /nfs/dbraw/zinc/89/53/05/1066895305.db2.gz WMJIDMKARSDRCJ-TXNBCWFRSA-N 0 0 511.092 4.623 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/SC(=O)N(CC=C)C2=O)cc1I ZINC000409107769 1066894864 /nfs/dbraw/zinc/89/48/64/1066894864.db2.gz QJNXHCUHNVDALH-UKTHLTGXSA-N 0 0 553.159 4.683 40 30 KJEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409107945 1066894903 /nfs/dbraw/zinc/89/49/03/1066894903.db2.gz YQLQLUHIFCEMQV-FOKLQQMPSA-N 0 0 549.281 4.536 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409108194 1066894418 /nfs/dbraw/zinc/89/44/18/1066894418.db2.gz VYIBKGNOTLRQQZ-FSJBWODESA-N 0 0 622.419 4.590 40 30 KJEBRN N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1I ZINC000409108314 1066894484 /nfs/dbraw/zinc/89/44/84/1066894484.db2.gz ZXRVRRBUMBMEAY-WSDLNYQXSA-N 0 0 553.331 4.974 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409108596 1066893869 /nfs/dbraw/zinc/89/38/69/1066893869.db2.gz VKSDOSLLTPHYOA-DXUGRCAZSA-N 0 0 622.747 4.571 40 30 KJEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409108598 1066893906 /nfs/dbraw/zinc/89/39/06/1066893906.db2.gz VKSDOSLLTPHYOA-KOHOJCOXSA-N 0 0 622.747 4.571 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409108959 1066893949 /nfs/dbraw/zinc/89/39/49/1066893949.db2.gz ZTULXXOHGVVFMZ-KEBDBYFISA-N 0 0 545.411 4.896 40 30 KJEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 ZINC000409109121 1066893376 /nfs/dbraw/zinc/89/33/76/1066893376.db2.gz YAXFFTYOIBIYFM-ABBNRAPFSA-N 0 0 545.108 4.898 40 30 KJEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 ZINC000409109122 1066893289 /nfs/dbraw/zinc/89/32/89/1066893289.db2.gz YAXFFTYOIBIYFM-CSJROMOCSA-N 0 0 545.108 4.898 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409110727 1066323162 /nfs/dbraw/zinc/32/31/62/1066323162.db2.gz YGPGKEGZFJLVDM-UHFFFAOYSA-N 0 0 542.455 4.507 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000409111183 1066892508 /nfs/dbraw/zinc/89/25/08/1066892508.db2.gz ARQMNTOJKWPZLR-UHFFFAOYSA-N 0 0 518.422 4.743 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409111297 1066892548 /nfs/dbraw/zinc/89/25/48/1066892548.db2.gz BKWPBQABBOGUPO-UHFFFAOYSA-N 0 0 512.031 4.707 40 30 KJEBRN C#CCOc1c(I)cc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1OCC ZINC000409112945 1066891011 /nfs/dbraw/zinc/89/10/11/1066891011.db2.gz CVUFJYGQOQPYTF-NRFANRHFSA-N 0 0 573.383 4.767 40 30 KJEBRN C#CCOc1c(I)cc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1OCC ZINC000409112948 1066890941 /nfs/dbraw/zinc/89/09/41/1066890941.db2.gz CVUFJYGQOQPYTF-OAQYLSRUSA-N 0 0 573.383 4.767 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409112956 1066890977 /nfs/dbraw/zinc/89/09/77/1066890977.db2.gz HGBWSBMDCJOFQA-UHFFFAOYSA-N 0 0 531.556 4.764 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\C(=O)Nc3ccccc32)cc1I ZINC000409113551 1066890399 /nfs/dbraw/zinc/89/03/99/1066890399.db2.gz HBDIUMIQJNRBSP-JYRVWZFOSA-N 0 0 529.115 4.953 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1OC ZINC000409114369 1066889776 /nfs/dbraw/zinc/88/97/76/1066889776.db2.gz JHRHEANYEMTDEU-FQEVSTJZSA-N 0 0 512.356 4.535 40 30 KJEBRN C#CCOc1c(Br)cc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1OC ZINC000409114376 1066890449 /nfs/dbraw/zinc/89/04/49/1066890449.db2.gz JHRHEANYEMTDEU-HXUWFJFHSA-N 0 0 512.356 4.535 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000409114418 1066889806 /nfs/dbraw/zinc/88/98/06/1066889806.db2.gz HMWPQWAWZHWZJZ-UHFFFAOYSA-N 0 0 572.481 4.598 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000409115911 1066888647 /nfs/dbraw/zinc/88/86/47/1066888647.db2.gz JRPSTFSEAUQTFF-UHFFFAOYSA-N 0 0 572.481 4.516 40 30 KJEBRN C=CCOc1c(I)cc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1OC ZINC000409116781 1066887773 /nfs/dbraw/zinc/88/77/73/1066887773.db2.gz LSAOSRRKBJZHSJ-FQEVSTJZSA-N 0 0 561.372 4.930 40 30 KJEBRN C=CCOc1c(I)cc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1OC ZINC000409116783 1066887874 /nfs/dbraw/zinc/88/78/74/1066887874.db2.gz LSAOSRRKBJZHSJ-HXUWFJFHSA-N 0 0 561.372 4.930 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409118349 1066898784 /nfs/dbraw/zinc/89/87/84/1066898784.db2.gz QBOOVNUOSOWUBF-FSJBWODESA-N 0 0 575.419 4.748 40 30 KJEBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409118846 1066898340 /nfs/dbraw/zinc/89/83/40/1066898340.db2.gz QFXZYRMKXKDJEF-KEBDBYFISA-N 0 0 515.385 4.888 40 30 KJEBRN C#CCOc1c(I)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1I ZINC000409119830 1066897924 /nfs/dbraw/zinc/89/79/24/1066897924.db2.gz TUNSWIDQPFZQBF-LIMNOBDPSA-N 0 0 571.078 4.768 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000409120628 1066324599 /nfs/dbraw/zinc/32/45/99/1066324599.db2.gz RHHUUUBPCNKECN-UHFFFAOYSA-N 0 0 539.679 4.557 40 30 KJEBRN C#CCOc1c(Br)cc([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1OCC ZINC000409121451 1066896917 /nfs/dbraw/zinc/89/69/17/1066896917.db2.gz WZRRLJUKHZFVOK-NRFANRHFSA-N 0 0 526.383 4.925 40 30 KJEBRN C#CCOc1c(Br)cc([C@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1OCC ZINC000409121453 1066896980 /nfs/dbraw/zinc/89/69/80/1066896980.db2.gz WZRRLJUKHZFVOK-OAQYLSRUSA-N 0 0 526.383 4.925 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000409122100 1066896358 /nfs/dbraw/zinc/89/63/58/1066896358.db2.gz ZAQTYZXHYJRCRY-UHFFFAOYSA-N 0 0 518.422 4.743 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409122371 1066896383 /nfs/dbraw/zinc/89/63/83/1066896383.db2.gz YTKYNVFMBROCSC-UHFFFAOYSA-N 0 0 512.031 4.707 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409122458 1066896479 /nfs/dbraw/zinc/89/64/79/1066896479.db2.gz YZRDRVLGMOQRGM-UHFFFAOYSA-N 0 0 542.455 4.507 40 30 KJEBRN C=CCN1C(=O)N/C(=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000409122673 1066896467 /nfs/dbraw/zinc/89/64/67/1066896467.db2.gz ATLZRBUXLBHMOR-YVLHZVERSA-N 0 0 524.742 4.611 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cn(CC(N)=O)c3c2cccc3CC)C1=O ZINC000409123093 1066895769 /nfs/dbraw/zinc/89/57/69/1066895769.db2.gz DWONOADGJZKOFX-HMAPJEAMSA-N 0 0 519.623 4.631 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F ZINC000409123097 1066895777 /nfs/dbraw/zinc/89/57/77/1066895777.db2.gz DSLLLCBNRHIASD-NRFANRHFSA-N 0 0 501.938 4.921 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F ZINC000409123099 1066325325 /nfs/dbraw/zinc/32/53/25/1066325325.db2.gz DSLLLCBNRHIASD-OAQYLSRUSA-N 0 0 501.938 4.921 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cn(CC(=O)NC3CC3)c3ccccc23)C1=O ZINC000409123105 1066895889 /nfs/dbraw/zinc/89/58/89/1066895889.db2.gz DXZDFTCZBNJKQU-IWIPYMOSSA-N 0 0 531.634 4.862 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409123250 1066895366 /nfs/dbraw/zinc/89/53/66/1066895366.db2.gz BAWOMKHYWOTCBE-UHFFFAOYSA-N 0 0 565.498 4.990 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(=O)NCCOC)c3ccc(Br)cc23)C1=O ZINC000409123319 1066325394 /nfs/dbraw/zinc/32/53/94/1066325394.db2.gz GDSYVRWITNIKIP-XKZIYDEJSA-N 0 0 584.492 4.710 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000409123460 1066325134 /nfs/dbraw/zinc/32/51/34/1066325134.db2.gz HCYFORNIIPGABV-LFVJCYFKSA-N 0 0 648.519 4.893 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)C1=O ZINC000409123826 1066325890 /nfs/dbraw/zinc/32/58/90/1066325890.db2.gz IFNVDVYFWFLCSF-GZTJUZNOSA-N 0 0 539.167 4.711 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O ZINC000409123886 1066902827 /nfs/dbraw/zinc/90/28/27/1066902827.db2.gz FMWHDQRTDBNFTK-JLPGSUDCSA-N 0 0 531.634 4.816 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cn(CC(=O)NCCOC)c3c2cccc3CC)C1=O ZINC000409124026 1066902325 /nfs/dbraw/zinc/90/23/25/1066902325.db2.gz JTMNNECYHMYCHF-JLPGSUDCSA-N 0 0 563.676 4.519 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1OCC ZINC000409124062 1066902460 /nfs/dbraw/zinc/90/24/60/1066902460.db2.gz JYOMEYCXPWOIMH-PDGQHHTCSA-N 0 0 519.804 4.914 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000409124100 1066902348 /nfs/dbraw/zinc/90/23/48/1066902348.db2.gz JDMUNVFDGALVSH-UHFFFAOYSA-N 0 0 518.422 4.743 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)C1=O ZINC000409124266 1066902478 /nfs/dbraw/zinc/90/24/78/1066902478.db2.gz AMSWQZZURXOEOY-XDHOZWIPSA-N 0 0 518.351 4.656 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cn(CC(=O)NCCCOC)c3c2cccc3CC)C1=O ZINC000409124297 1066902357 /nfs/dbraw/zinc/90/23/57/1066902357.db2.gz AUJRXHOGDPPMLQ-UQQQWYQISA-N 0 0 577.703 4.909 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000409124566 1066325924 /nfs/dbraw/zinc/32/59/24/1066325924.db2.gz JTHSFNLXMJWDNQ-FQEVSTJZSA-N 0 0 514.372 4.501 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000409124578 1066902002 /nfs/dbraw/zinc/90/20/02/1066902002.db2.gz JTHSFNLXMJWDNQ-HXUWFJFHSA-N 0 0 514.372 4.501 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409124696 1066901907 /nfs/dbraw/zinc/90/19/07/1066901907.db2.gz KFHVFOSXMSPZLY-IBGZPJMESA-N 0 0 702.239 4.847 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409124702 1066901918 /nfs/dbraw/zinc/90/19/18/1066901918.db2.gz KFHVFOSXMSPZLY-LJQANCHMSA-N 0 0 702.239 4.847 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409124964 1066901648 /nfs/dbraw/zinc/90/16/48/1066901648.db2.gz CRGYPQWYKDBEFV-LICLKQGHSA-N 0 0 537.164 4.778 40 30 KJEBRN COc1cc(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000409125285 1066901426 /nfs/dbraw/zinc/90/14/26/1066901426.db2.gz JQLCXTDQHHEXDN-UHFFFAOYSA-N 0 0 579.565 4.919 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)C1=O ZINC000409125358 1066901127 /nfs/dbraw/zinc/90/11/27/1066901127.db2.gz FAHQOXJMGMMJTB-LICLKQGHSA-N 0 0 569.193 4.720 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2CC)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409125732 1066901019 /nfs/dbraw/zinc/90/10/19/1066901019.db2.gz ARFPBJJXZBELLE-QBQQNCJSSA-N 0 0 512.522 4.767 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1OCC ZINC000409125845 1066901198 /nfs/dbraw/zinc/90/11/98/1066901198.db2.gz BDADYOFGOWWYFG-PDGQHHTCSA-N 0 0 566.804 4.756 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OCc2ccc(F)cc2)cc1Br ZINC000409125960 1066326152 /nfs/dbraw/zinc/32/61/52/1066326152.db2.gz AKXPBIYKLBZZBU-NRFANRHFSA-N 0 0 532.362 4.640 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OCc2ccc(F)cc2)cc1Br ZINC000409125966 1066900679 /nfs/dbraw/zinc/90/06/79/1066900679.db2.gz AKXPBIYKLBZZBU-OAQYLSRUSA-N 0 0 532.362 4.640 40 30 KJEBRN C=CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCC(C)CC3)c3ccc(Br)cc23)C1=O ZINC000409126045 1066900764 /nfs/dbraw/zinc/90/07/64/1066900764.db2.gz NQZTXIUJUZFQGW-JAIQZWGSSA-N 0 0 502.434 4.885 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409126070 1066900349 /nfs/dbraw/zinc/90/03/49/1066900349.db2.gz NSWKXRNMTVQAAX-INIZCTEOSA-N 0 0 508.673 4.640 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409126080 1066900756 /nfs/dbraw/zinc/90/07/56/1066900756.db2.gz NSWKXRNMTVQAAX-MRXNPFEDSA-N 0 0 508.673 4.640 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C1=O ZINC000409126171 1066326281 /nfs/dbraw/zinc/32/62/81/1066326281.db2.gz NDRIWFUZSFGCKF-LICLKQGHSA-N 0 0 604.157 4.693 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C(C)C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000409126193 1066900711 /nfs/dbraw/zinc/90/07/11/1066900711.db2.gz GZWQSELLADSVNV-UHFFFAOYSA-N 0 0 531.565 4.656 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cn(CC(=O)N3CCOCC3)c3c2cccc3CC)C1=O ZINC000409126346 1066900269 /nfs/dbraw/zinc/90/02/69/1066900269.db2.gz OOESIIDIOSLQER-UQQQWYQISA-N 0 0 559.688 4.915 40 30 KJEBRN COc1ccc(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1 ZINC000409126461 1066900323 /nfs/dbraw/zinc/90/03/23/1066900323.db2.gz GBOHWHZNBHBNSS-UHFFFAOYSA-N 0 0 549.539 4.911 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2CC)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409126716 1066899904 /nfs/dbraw/zinc/89/99/04/1066899904.db2.gz MSHXXZVWRWEJJX-LJGLUOFYSA-N 0 0 512.522 4.767 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 ZINC000409126897 1066326132 /nfs/dbraw/zinc/32/61/32/1066326132.db2.gz IEMOMQDHOKMAEB-NRFANRHFSA-N 0 0 501.938 4.921 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 ZINC000409126907 1066326268 /nfs/dbraw/zinc/32/62/68/1066326268.db2.gz IEMOMQDHOKMAEB-OAQYLSRUSA-N 0 0 501.938 4.921 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(F)cc1 ZINC000409127658 1066910869 /nfs/dbraw/zinc/91/08/69/1066910869.db2.gz FFKCXTMZVJHQHT-NRFANRHFSA-N 0 0 593.389 4.872 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(F)cc1 ZINC000409127659 1066910926 /nfs/dbraw/zinc/91/09/26/1066910926.db2.gz FFKCXTMZVJHQHT-OAQYLSRUSA-N 0 0 593.389 4.872 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409127975 1066910472 /nfs/dbraw/zinc/91/04/72/1066910472.db2.gz DIZZPLHZCGHWKA-IBGZPJMESA-N 0 0 702.239 4.847 40 30 KJEBRN COc1c(I)cc(I)cc1/C=C1\SC(=NC(=O)c2ccc(Cl)cc2)NC1=O ZINC000409127980 1066910515 /nfs/dbraw/zinc/91/05/15/1066910515.db2.gz SBZLVOIJPXCWLL-AUWJEWJLSA-N 0 0 624.625 4.958 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409127982 1066910486 /nfs/dbraw/zinc/91/04/86/1066910486.db2.gz DIZZPLHZCGHWKA-LJQANCHMSA-N 0 0 702.239 4.847 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1 ZINC000409128744 1066909794 /nfs/dbraw/zinc/90/97/94/1066909794.db2.gz UDJSUIHFIKTIGY-JOCHJYFZSA-N 0 0 528.399 4.891 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1 ZINC000409128746 1066909598 /nfs/dbraw/zinc/90/95/98/1066909598.db2.gz UDJSUIHFIKTIGY-QFIPXVFZSA-N 0 0 528.399 4.891 40 30 KJEBRN CCc1nc2ccccc2c(=O)n1N=Cc1cc(Br)ccc1OC(=O)c1ccc(OC)cc1 ZINC000409128939 1066326252 /nfs/dbraw/zinc/32/62/52/1066326252.db2.gz SXCOQBHZXQFJSZ-UHFFFAOYSA-N 0 0 506.356 4.831 40 30 KJEBRN N#Cc1ccccc1COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br ZINC000409129013 1066909327 /nfs/dbraw/zinc/90/93/27/1066909327.db2.gz QIBPXDKLHNSPTO-RGVLZGJSSA-N 0 0 621.307 4.557 40 30 KJEBRN COCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C1=O ZINC000409129018 1066909289 /nfs/dbraw/zinc/90/92/89/1066909289.db2.gz TXQNDTUZINYFLZ-KEBDBYFISA-N 0 0 503.374 4.591 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cn(CC(=O)NCCCOC)c3ccccc23)C1=O ZINC000409129061 1066909232 /nfs/dbraw/zinc/90/92/32/1066909232.db2.gz QNVRBPIIKAAXBC-HAHDFKILSA-N 0 0 554.068 4.991 40 30 KJEBRN O=C(Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000409129138 1066909347 /nfs/dbraw/zinc/90/93/47/1066909347.db2.gz UNUJSQHWLJJECW-UHFFFAOYSA-N 0 0 535.472 4.981 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000409129180 1066909367 /nfs/dbraw/zinc/90/93/67/1066909367.db2.gz FQUPULQHBBLQSG-FQEVSTJZSA-N 0 0 502.336 4.631 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000409129186 1066909295 /nfs/dbraw/zinc/90/92/95/1066909295.db2.gz FQUPULQHBBLQSG-HXUWFJFHSA-N 0 0 502.336 4.631 40 30 KJEBRN COc1cc(C(=O)Oc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2ccco2)cc(OC)c1OC ZINC000409129311 1066909301 /nfs/dbraw/zinc/90/93/01/1066909301.db2.gz JHBBVRCNXKULAS-UHFFFAOYSA-N 0 0 525.517 4.784 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)C1=O ZINC000409129489 1066908816 /nfs/dbraw/zinc/90/88/16/1066908816.db2.gz JXXSEPLPDIHURX-WOJGMQOQSA-N 0 0 630.220 4.952 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OCC ZINC000409129626 1066908828 /nfs/dbraw/zinc/90/88/28/1066908828.db2.gz VCESQQLGTPRYFI-AQTBWJFISA-N 0 0 534.375 4.655 40 30 KJEBRN Cc1nc2ccccc2c(=O)n1N=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1 ZINC000409129635 1066908843 /nfs/dbraw/zinc/90/88/43/1066908843.db2.gz VFTZPSHYLQIQIT-UHFFFAOYSA-N 0 0 531.160 4.924 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000409129636 1066908934 /nfs/dbraw/zinc/90/89/34/1066908934.db2.gz VFVSQHLENSCOBE-UHFFFAOYSA-N 0 0 555.543 4.792 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(=O)NCCOC)c3c2cccc3CC)C1=O ZINC000409129715 1066908978 /nfs/dbraw/zinc/90/89/78/1066908978.db2.gz SDJMWBUQDAEGEM-KQWNVCNZSA-N 0 0 533.650 4.510 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000409130057 1066908414 /nfs/dbraw/zinc/90/84/14/1066908414.db2.gz ICJJNMNDZWNCGZ-UHFFFAOYSA-N 0 0 609.591 4.928 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccco1 ZINC000409130203 1066908545 /nfs/dbraw/zinc/90/85/45/1066908545.db2.gz KRRAECUETHHCQP-UHFFFAOYSA-N 0 0 555.543 4.792 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000409130588 1066908124 /nfs/dbraw/zinc/90/81/24/1066908124.db2.gz WPEXFQPJWRAXTN-UHFFFAOYSA-N 0 0 506.356 4.968 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000409130662 1066908095 /nfs/dbraw/zinc/90/80/95/1066908095.db2.gz XFLGLZAPAYAAED-FQEVSTJZSA-N 0 0 502.336 4.631 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000409130663 1066326792 /nfs/dbraw/zinc/32/67/92/1066326792.db2.gz XFLGLZAPAYAAED-HXUWFJFHSA-N 0 0 502.336 4.631 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1C#N ZINC000409130788 1066908154 /nfs/dbraw/zinc/90/81/54/1066908154.db2.gz WIUOPKKYCCMEBV-JOCHJYFZSA-N 0 0 600.409 4.605 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1C#N ZINC000409130791 1066908135 /nfs/dbraw/zinc/90/81/35/1066908135.db2.gz WIUOPKKYCCMEBV-QFIPXVFZSA-N 0 0 600.409 4.605 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000409130909 1066908103 /nfs/dbraw/zinc/90/81/03/1066908103.db2.gz XEZPRVGODYYHCM-NRFANRHFSA-N 0 0 528.399 4.809 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000409130911 1066908027 /nfs/dbraw/zinc/90/80/27/1066908027.db2.gz XEZPRVGODYYHCM-OAQYLSRUSA-N 0 0 528.399 4.809 40 30 KJEBRN Cc1nc2ccccc2c(=O)n1N=Cc1cc(Br)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409130981 1066908087 /nfs/dbraw/zinc/90/80/87/1066908087.db2.gz JAVBZWOIBMQLGK-ICHVRRSJSA-N 0 0 533.338 4.877 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cn(CC(=O)NCCOC)c3ccccc23)C1=O ZINC000409131115 1066907693 /nfs/dbraw/zinc/90/76/93/1066907693.db2.gz LYNFSSKWPZUHOZ-HMAPJEAMSA-N 0 0 540.041 4.601 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(=O)NCCCOC)c3c2cccc3CC)C1=O ZINC000409132018 1066907303 /nfs/dbraw/zinc/90/73/03/1066907303.db2.gz KKYGNEMLILRTMY-ULJHMMPZSA-N 0 0 547.677 4.900 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cn(CC(=O)NCCCOC)c3ccccc23)C1=O ZINC000409132447 1066907177 /nfs/dbraw/zinc/90/71/77/1066907177.db2.gz ONBKLSPWTDQWJC-UQQQWYQISA-N 0 0 563.676 4.736 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000409132666 1066204938 /nfs/dbraw/zinc/20/49/38/1066204938.db2.gz JRXVHZJNAVXHOS-FQEVSTJZSA-N 0 0 502.336 4.631 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000409132670 1066204907 /nfs/dbraw/zinc/20/49/07/1066204907.db2.gz JRXVHZJNAVXHOS-HXUWFJFHSA-N 0 0 502.336 4.631 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000409132963 1066326719 /nfs/dbraw/zinc/32/67/19/1066326719.db2.gz PQVKPSFMUTXJCS-NRFANRHFSA-N 0 0 514.372 4.501 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000409132965 1066906446 /nfs/dbraw/zinc/90/64/46/1066906446.db2.gz PQVKPSFMUTXJCS-OAQYLSRUSA-N 0 0 514.372 4.501 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C(C)C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409133465 1066906537 /nfs/dbraw/zinc/90/65/37/1066906537.db2.gz MOVBPDBTJITRNE-UHFFFAOYSA-N 0 0 500.511 4.928 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409133607 1066906130 /nfs/dbraw/zinc/90/61/30/1066906130.db2.gz NHCAQRALQOXHGL-SRZZPIQSSA-N 0 0 517.401 4.981 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000409133699 1066906089 /nfs/dbraw/zinc/90/60/89/1066906089.db2.gz MMRYBZWBEVGRLO-LICLKQGHSA-N 0 0 524.742 4.611 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 ZINC000409133952 1066327378 /nfs/dbraw/zinc/32/73/78/1066327378.db2.gz REEXMFGBIBCRIA-JOCHJYFZSA-N 0 0 528.399 4.891 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 ZINC000409133955 1066905679 /nfs/dbraw/zinc/90/56/79/1066905679.db2.gz REEXMFGBIBCRIA-QFIPXVFZSA-N 0 0 528.399 4.891 40 30 KJEBRN CCOC(=O)Cn1cc(C=C2SC(Nc3ccc(OC)cc3)=C(C(=O)OCC)C2=O)c2ccccc21 ZINC000409134089 1066906213 /nfs/dbraw/zinc/90/62/13/1066906213.db2.gz VQNWGNLXIJFKTQ-HMAPJEAMSA-N 0 0 506.580 4.757 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 ZINC000409134164 1066204922 /nfs/dbraw/zinc/20/49/22/1066204922.db2.gz NXEJDIHLIVHFOV-FQEVSTJZSA-N 0 0 532.362 4.640 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 ZINC000409134168 1066204809 /nfs/dbraw/zinc/20/48/09/1066204809.db2.gz NXEJDIHLIVHFOV-HXUWFJFHSA-N 0 0 532.362 4.640 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000409134336 1066905566 /nfs/dbraw/zinc/90/55/66/1066905566.db2.gz NWZBRZBGFKXPOV-FQEVSTJZSA-N 0 0 532.362 4.640 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000409134339 1066905516 /nfs/dbraw/zinc/90/55/16/1066905516.db2.gz NWZBRZBGFKXPOV-HXUWFJFHSA-N 0 0 532.362 4.640 40 30 KJEBRN CCc1nc2ccccc2c(=O)n1N=Cc1ccc(OC(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000409134534 1066905138 /nfs/dbraw/zinc/90/51/38/1066905138.db2.gz UHLKNPKSNWAKTJ-UHFFFAOYSA-N 0 0 506.356 4.831 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc(I)cc2)C1=O ZINC000409134637 1066905157 /nfs/dbraw/zinc/90/51/57/1066905157.db2.gz WXCFPSKZJWAZHO-GZTJUZNOSA-N 0 0 539.167 4.711 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)C1=O ZINC000409134675 1066905167 /nfs/dbraw/zinc/90/51/67/1066905167.db2.gz XBVAXUJRFINGOO-LICLKQGHSA-N 0 0 569.193 4.720 40 30 KJEBRN CCc1nc2ccccc2c(=O)n1N=Cc1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000409134702 1066905127 /nfs/dbraw/zinc/90/51/27/1066905127.db2.gz PHKWFWHQODRQSC-UHFFFAOYSA-N 0 0 520.339 4.552 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C1=O ZINC000409134706 1066905081 /nfs/dbraw/zinc/90/50/81/1066905081.db2.gz XEVPOGFACFOJHB-LICLKQGHSA-N 0 0 604.157 4.693 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409134928 1066905045 /nfs/dbraw/zinc/90/50/45/1066905045.db2.gz OXFWPBWASMZQFV-UHFFFAOYSA-N 0 0 518.422 4.743 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cn(CC(N)=O)c3c2cccc3CC)C1=O ZINC000409134972 1066904633 /nfs/dbraw/zinc/90/46/33/1066904633.db2.gz QJEPIQIUXWMIER-NDENLUEZSA-N 0 0 510.015 4.886 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1I ZINC000409135143 1066327294 /nfs/dbraw/zinc/32/72/94/1066327294.db2.gz UWKGABBYGNWRFP-WJDWOHSUSA-N 0 0 616.218 4.861 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC ZINC000409135159 1066904727 /nfs/dbraw/zinc/90/47/27/1066904727.db2.gz VDWVXJMVZLPNKS-LDADJPATSA-N 0 0 511.381 4.928 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O ZINC000409135437 1066904290 /nfs/dbraw/zinc/90/42/90/1066904290.db2.gz QSOQKNBKZVAJDS-GZTJUZNOSA-N 0 0 539.167 4.711 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409135588 1066904302 /nfs/dbraw/zinc/90/43/02/1066904302.db2.gz RJYGFACYZKJBLQ-UHFFFAOYSA-N 0 0 512.031 4.707 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C(C)C)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409135757 1066904344 /nfs/dbraw/zinc/90/43/44/1066904344.db2.gz QZRKMMJHYDZZNT-CWCYOQKUSA-N 0 0 512.522 4.938 40 30 KJEBRN C=CCN1C(=O)S/C(=C\c2cn(CC(=O)NCc3ccco3)c3ccc(Br)cc23)C1=O ZINC000409136139 1066904007 /nfs/dbraw/zinc/90/40/07/1066904007.db2.gz SRVICVFGTHTUKO-OCKHKDLRSA-N 0 0 500.374 4.536 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C(C)C)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409136322 1066903614 /nfs/dbraw/zinc/90/36/14/1066903614.db2.gz SJTOMBVJWNVXPR-JCHBSNHJSA-N 0 0 512.522 4.938 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1Br ZINC000409136898 1066903200 /nfs/dbraw/zinc/90/32/00/1066903200.db2.gz YXCWALNONSELDB-NRFANRHFSA-N 0 0 514.372 4.501 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OCc2ccccc2)cc1Br ZINC000409136900 1066903072 /nfs/dbraw/zinc/90/30/72/1066903072.db2.gz YXCWALNONSELDB-OAQYLSRUSA-N 0 0 514.372 4.501 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(I)c2)C1=O ZINC000409137033 1066903211 /nfs/dbraw/zinc/90/32/11/1066903211.db2.gz URIXFFKFXZTDMQ-WOJGMQOQSA-N 0 0 600.194 4.862 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)c(I)c2)C1=O ZINC000409137447 1066205634 /nfs/dbraw/zinc/20/56/34/1066205634.db2.gz WLGJHDRFVHGPLP-GZTJUZNOSA-N 0 0 586.167 4.554 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cn(CC(=O)OC)c3ccccc23)C1=O ZINC000409138014 1066916496 /nfs/dbraw/zinc/91/64/96/1066916496.db2.gz YTSKOBGPYQCZGC-HMAPJEAMSA-N 0 0 506.580 4.757 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(I)cc2)c(Cl)c1 ZINC000409138047 1066916462 /nfs/dbraw/zinc/91/64/62/1066916462.db2.gz ZGCJKOUJGPKNDT-FQEVSTJZSA-N 0 0 565.791 4.988 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(I)cc2)c(Cl)c1 ZINC000409138048 1066916483 /nfs/dbraw/zinc/91/64/83/1066916483.db2.gz ZGCJKOUJGPKNDT-HXUWFJFHSA-N 0 0 565.791 4.988 40 30 KJEBRN COc1ccc(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000409138288 1066916352 /nfs/dbraw/zinc/91/63/52/1066916352.db2.gz ZXKSUCOICYJUOH-UHFFFAOYSA-N 0 0 519.513 4.902 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1OC ZINC000409138469 1066916441 /nfs/dbraw/zinc/91/64/41/1066916441.db2.gz CFEOZBAMCFIKAX-BOPFTXTBSA-N 0 0 554.793 4.918 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)C1=O ZINC000409138544 1066916057 /nfs/dbraw/zinc/91/60/57/1066916057.db2.gz DMRMAWVKDPKNOQ-LICLKQGHSA-N 0 0 522.193 4.878 40 30 KJEBRN CCOc1c(I)cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1OC ZINC000409138578 1066327696 /nfs/dbraw/zinc/32/76/96/1066327696.db2.gz DXONJWPSFPXXLC-YBEGLDIGSA-N 0 0 542.782 4.752 40 30 KJEBRN COc1cc(C(=O)Oc2ccccc2C=Nn2c(=O)c3ccccc3nc2C(C)C)cc(OC)c1OC ZINC000409138643 1066916116 /nfs/dbraw/zinc/91/61/16/1066916116.db2.gz FXQAJQQAUORFGB-UHFFFAOYSA-N 0 0 501.539 4.647 40 30 KJEBRN C#CCN1C(=O)S/C(=C\c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C1=O ZINC000409138695 1066916126 /nfs/dbraw/zinc/91/61/26/1066916126.db2.gz GRGMETGCGVZCFS-YVNNLAQVSA-N 0 0 525.380 4.881 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000409138784 1066915672 /nfs/dbraw/zinc/91/56/72/1066915672.db2.gz HXKHTQZQBMTHST-XDHOZWIPSA-N 0 0 518.351 4.656 40 30 KJEBRN CCc1nc2ccccc2c(=O)n1N=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409139021 1066915641 /nfs/dbraw/zinc/91/56/41/1066915641.db2.gz LHYGPDGARBNFSU-UHFFFAOYSA-N 0 0 521.327 4.731 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC ZINC000409139095 1066915718 /nfs/dbraw/zinc/91/57/18/1066915718.db2.gz MKBJCKIQEASKFW-HMMYKYKNSA-N 0 0 533.387 4.981 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cn(CC(=O)NCCOC)c3c2cccc3CC)C1=O ZINC000409139194 1066915633 /nfs/dbraw/zinc/91/56/33/1066915633.db2.gz BFGDZBQLPDPOHS-JLPGSUDCSA-N 0 0 547.677 4.818 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1OCC ZINC000409139245 1066915281 /nfs/dbraw/zinc/91/52/81/1066915281.db2.gz AOSAFBFWXGZZDM-XQNSMLJCSA-N 0 0 558.056 4.815 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409139302 1066915317 /nfs/dbraw/zinc/91/53/17/1066915317.db2.gz ACJYHAUTGGJUDA-UDWIEESQSA-N 0 0 564.401 4.823 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N ZINC000409139516 1066915216 /nfs/dbraw/zinc/91/52/16/1066915216.db2.gz BDXKPDBLYYQZNQ-JOCHJYFZSA-N 0 0 508.958 4.654 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N ZINC000409139518 1066915274 /nfs/dbraw/zinc/91/52/74/1066915274.db2.gz BDXKPDBLYYQZNQ-QFIPXVFZSA-N 0 0 508.958 4.654 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000409139659 1066915256 /nfs/dbraw/zinc/91/52/56/1066915256.db2.gz CPJZDLOQKOMCBB-VCHYOVAHSA-N 0 0 517.177 4.741 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)C1=O ZINC000409139790 1066914987 /nfs/dbraw/zinc/91/49/87/1066914987.db2.gz BOSCMVJTVINCLC-RQZCQDPDSA-N 0 0 522.193 4.878 40 30 KJEBRN COc1cc(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OC(=O)c2ccco2)cc(OC)c1OC ZINC000409139919 1066914843 /nfs/dbraw/zinc/91/48/43/1066914843.db2.gz PEJOPARHVWJMDH-UHFFFAOYSA-N 0 0 525.517 4.784 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409140067 1066914932 /nfs/dbraw/zinc/91/49/32/1066914932.db2.gz PTAXWXYOPQTREJ-KOEQRZSOSA-N 0 0 536.650 4.596 40 30 KJEBRN Cc1nc2ccccc2c(=O)n1N=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409140785 1066914503 /nfs/dbraw/zinc/91/45/03/1066914503.db2.gz FRWHRFCOVIUBDD-OPIJCGMZSA-N 0 0 533.338 4.877 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000409140818 1066914065 /nfs/dbraw/zinc/91/40/65/1066914065.db2.gz FYNKDSOGABFQRO-UHFFFAOYSA-N 0 0 519.513 4.902 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)C1=O ZINC000409140973 1066328445 /nfs/dbraw/zinc/32/84/45/1066328445.db2.gz GBWAFTBYHKQMAO-LICLKQGHSA-N 0 0 616.193 4.562 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1OC ZINC000409141003 1066913917 /nfs/dbraw/zinc/91/39/17/1066913917.db2.gz GOLWJJAWVKSODU-BOPFTXTBSA-N 0 0 505.777 4.523 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409141184 1066913876 /nfs/dbraw/zinc/91/38/76/1066913876.db2.gz UPJAAJYERRCMRS-INIZCTEOSA-N 0 0 508.673 4.640 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409141189 1066913957 /nfs/dbraw/zinc/91/39/57/1066913957.db2.gz UPJAAJYERRCMRS-MRXNPFEDSA-N 0 0 508.673 4.640 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409141231 1066914029 /nfs/dbraw/zinc/91/40/29/1066914029.db2.gz HWNYVRFRRIOKKN-UHFFFAOYSA-N 0 0 510.462 4.675 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000409141263 1066913674 /nfs/dbraw/zinc/91/36/74/1066913674.db2.gz HLHLDHZCRORELV-UHFFFAOYSA-N 0 0 564.510 4.810 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000409141886 1066913316 /nfs/dbraw/zinc/91/33/16/1066913316.db2.gz KMVFCRSYUKACOU-FQEVSTJZSA-N 0 0 532.362 4.640 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000409141889 1066913295 /nfs/dbraw/zinc/91/32/95/1066913295.db2.gz KMVFCRSYUKACOU-HXUWFJFHSA-N 0 0 532.362 4.640 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409142204 1066913285 /nfs/dbraw/zinc/91/32/85/1066913285.db2.gz CEAQVEYAKHIYNF-ITNPZBTBSA-N 0 0 613.139 4.968 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409142207 1066913242 /nfs/dbraw/zinc/91/32/42/1066913242.db2.gz CEAQVEYAKHIYNF-UAMLYEQYSA-N 0 0 613.139 4.968 40 30 KJEBRN CCOc1cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc(I)c1OC ZINC000409142277 1066328353 /nfs/dbraw/zinc/32/83/53/1066328353.db2.gz XOUAPWMUGUTOAW-YBEGLDIGSA-N 0 0 542.782 4.752 40 30 KJEBRN COCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409142297 1066912945 /nfs/dbraw/zinc/91/29/45/1066912945.db2.gz XXWMQKRDTRKLLS-YBFXNURJSA-N 0 0 503.374 4.591 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cn(CC(=O)NCCOC)c3c2cccc3CC)C1=O ZINC000409142342 1066912951 /nfs/dbraw/zinc/91/29/51/1066912951.db2.gz KWDJULAVGMIZPA-UQQQWYQISA-N 0 0 577.703 4.909 40 30 KJEBRN CCc1nc2ccccc2c(=O)n1N=Cc1cc(Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000409142505 1066912940 /nfs/dbraw/zinc/91/29/40/1066912940.db2.gz KPSACCNRUOSINT-UHFFFAOYSA-N 0 0 566.408 4.849 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409142524 1066912920 /nfs/dbraw/zinc/91/29/20/1066912920.db2.gz DJBPUTOGYMNULP-KEBDBYFISA-N 0 0 608.523 4.761 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cn(CC(=O)NCCOC)c3ccc(Br)cc23)C1=O ZINC000409142552 1066912848 /nfs/dbraw/zinc/91/28/48/1066912848.db2.gz LVICNFSGLXMLTC-QRVIBDJDSA-N 0 0 614.518 4.719 40 30 KJEBRN C#CCOc1c(Br)cc(C[C@H]2S/C(=N/c3ccc(OC)cc3)N(C)C2=O)cc1OCC ZINC000409142602 1066329160 /nfs/dbraw/zinc/32/91/60/1066329160.db2.gz BAKYOPHLRHQATG-XMVGPFMNSA-N 0 0 503.418 4.672 40 30 KJEBRN C#CCOc1c(Br)cc(C[C@@H]2S/C(=N/c3ccc(OC)cc3)N(C)C2=O)cc1OCC ZINC000409142605 1066912434 /nfs/dbraw/zinc/91/24/34/1066912434.db2.gz BAKYOPHLRHQATG-XUKXGFMLSA-N 0 0 503.418 4.672 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)cc1OC ZINC000409142626 1066912823 /nfs/dbraw/zinc/91/28/23/1066912823.db2.gz FDDXCLLMBHKMNH-VCHYOVAHSA-N 0 0 551.871 4.978 40 30 KJEBRN O=C(Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000409142641 1066912881 /nfs/dbraw/zinc/91/28/81/1066912881.db2.gz LEOLESVBXGQFGE-UHFFFAOYSA-N 0 0 534.484 4.802 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cn(CC(=O)N3CCOCC3)c3c2cccc3CC)C1=O ZINC000409142655 1066912889 /nfs/dbraw/zinc/91/28/89/1066912889.db2.gz AQVWFHWPWDLWSU-UQQQWYQISA-N 0 0 575.687 4.615 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409142990 1066912416 /nfs/dbraw/zinc/91/24/16/1066912416.db2.gz SSNWRRRDWCSYNK-DYCDSJFESA-N 0 0 688.556 4.749 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409142991 1066912522 /nfs/dbraw/zinc/91/25/22/1066912522.db2.gz SSNWRRRDWCSYNK-WLNFRNCRSA-N 0 0 688.556 4.749 40 30 KJEBRN COc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(Br)c1OC ZINC000409143064 1066912398 /nfs/dbraw/zinc/91/23/98/1066912398.db2.gz MSSVEMVEPPNSRB-CFADGJLPSA-N 0 0 517.379 4.692 40 30 KJEBRN COc1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(Br)c1OC ZINC000409143068 1066912486 /nfs/dbraw/zinc/91/24/86/1066912486.db2.gz MSSVEMVEPPNSRB-MTCHKFKRSA-N 0 0 517.379 4.692 40 30 KJEBRN COc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(Br)c1OC ZINC000409143073 1066912454 /nfs/dbraw/zinc/91/24/54/1066912454.db2.gz MSSVEMVEPPNSRB-YFLNJTSXSA-N 0 0 517.379 4.692 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccco1 ZINC000409143137 1066912533 /nfs/dbraw/zinc/91/25/33/1066912533.db2.gz ZFSFWTWQIWHYJP-UHFFFAOYSA-N 0 0 510.462 4.675 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccco2)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000409143259 1066912181 /nfs/dbraw/zinc/91/21/81/1066912181.db2.gz MIUPGHDFRVELTF-UHFFFAOYSA-N 0 0 523.501 4.885 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1F ZINC000409143379 1066912071 /nfs/dbraw/zinc/91/20/71/1066912071.db2.gz LYVRQDMLPIROOE-NRFANRHFSA-N 0 0 593.389 4.872 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccccc1F ZINC000409143384 1066912064 /nfs/dbraw/zinc/91/20/64/1066912064.db2.gz LYVRQDMLPIROOE-OAQYLSRUSA-N 0 0 593.389 4.872 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000409143435 1066912159 /nfs/dbraw/zinc/91/21/59/1066912159.db2.gz NEQJCTFPQSURQW-FQEVSTJZSA-N 0 0 502.336 4.631 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000409143439 1066912000 /nfs/dbraw/zinc/91/20/00/1066912000.db2.gz NEQJCTFPQSURQW-HXUWFJFHSA-N 0 0 502.336 4.631 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C1=O ZINC000409143475 1066329807 /nfs/dbraw/zinc/32/98/07/1066329807.db2.gz NIVJRRVAGGGUFM-GZTJUZNOSA-N 0 0 586.167 4.554 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409143739 1066911732 /nfs/dbraw/zinc/91/17/32/1066911732.db2.gz ILDQKWZMEHNVRD-KAEGSSFASA-N 0 0 630.122 4.920 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409143742 1066911627 /nfs/dbraw/zinc/91/16/27/1066911627.db2.gz ILDQKWZMEHNVRD-PLMBTIQCSA-N 0 0 630.122 4.920 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)C1=O ZINC000409144058 1066911259 /nfs/dbraw/zinc/91/12/59/1066911259.db2.gz PDTMPCCBELBRBA-LICLKQGHSA-N 0 0 524.742 4.611 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409144326 1066911269 /nfs/dbraw/zinc/91/12/69/1066911269.db2.gz OOYRDAHZHWYEMH-UHFFFAOYSA-N 0 0 512.031 4.707 40 30 KJEBRN COc1cc(C(=O)Oc2ccc(Br)cc2C=Nn2c(C)nc3ccccc3c2=O)cc(OC)c1OC ZINC000409144944 1066919159 /nfs/dbraw/zinc/91/91/59/1066919159.db2.gz HHGATXWRMMDCCA-UHFFFAOYSA-N 0 0 552.381 4.595 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000409145153 1066919136 /nfs/dbraw/zinc/91/91/36/1066919136.db2.gz MQZGUAOFUPODKG-QRQIAZFYSA-N 0 0 584.654 4.657 40 30 KJEBRN C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)C1=O ZINC000409145169 1066919291 /nfs/dbraw/zinc/91/92/91/1066919291.db2.gz PNJWLYKTJOBTHQ-BKUYFWCQSA-N 0 0 502.434 4.916 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)cc1OC ZINC000409145208 1066918936 /nfs/dbraw/zinc/91/89/36/1066918936.db2.gz NFJRGTAKMMESGJ-AWQFTUOYSA-N 0 0 561.523 4.919 40 30 KJEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccccc1I)C1c3ccccc3C2c2ccccc21 ZINC000409145257 1066918887 /nfs/dbraw/zinc/91/88/87/1066918887.db2.gz NGPWBZTUHBXXBZ-FQFCRJGYSA-N 0 0 504.327 4.517 40 30 KJEBRN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccccc1I)C1c3ccccc3C2c2ccccc21 ZINC000409145262 1066918864 /nfs/dbraw/zinc/91/88/64/1066918864.db2.gz NGPWBZTUHBXXBZ-MPSNRTQHSA-N 0 0 504.327 4.517 40 30 KJEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1I)C1c3ccccc3C2c2ccccc21 ZINC000409145268 1066919153 /nfs/dbraw/zinc/91/91/53/1066919153.db2.gz NGPWBZTUHBXXBZ-VJKRPUOMSA-N 0 0 504.327 4.517 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000409145909 1066918466 /nfs/dbraw/zinc/91/84/66/1066918466.db2.gz QMMWCWMLBPBXED-PXLXIMEGSA-N 0 0 558.454 4.526 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409145971 1066918373 /nfs/dbraw/zinc/91/83/73/1066918373.db2.gz RKZOHJJTSATQED-JOCHJYFZSA-N 0 0 567.697 4.876 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409145980 1066918443 /nfs/dbraw/zinc/91/84/43/1066918443.db2.gz RKZOHJJTSATQED-QFIPXVFZSA-N 0 0 567.697 4.876 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409146118 1066918387 /nfs/dbraw/zinc/91/83/87/1066918387.db2.gz JPODBZGPWDFNHH-UDWIEESQSA-N 0 0 517.401 4.981 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cn(CC(=O)NCCCOC)c3ccccc23)C1=O ZINC000409146147 1066918315 /nfs/dbraw/zinc/91/83/15/1066918315.db2.gz RQSCCBRGCGFCMY-JLPGSUDCSA-N 0 0 533.650 4.646 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1OCC ZINC000409146156 1066918480 /nfs/dbraw/zinc/91/84/80/1066918480.db2.gz RAIVQRDTGXRAPF-XQNSMLJCSA-N 0 0 602.507 4.924 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)C1=O ZINC000409146191 1066918342 /nfs/dbraw/zinc/91/83/42/1066918342.db2.gz RPJPZKXCUJSJTP-WOJGMQOQSA-N 0 0 600.194 4.862 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409146462 1066917864 /nfs/dbraw/zinc/91/78/64/1066917864.db2.gz UEVJWCICUVOXFL-LFVJCYFKSA-N 0 0 557.068 4.941 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccccc1F ZINC000409146509 1066330025 /nfs/dbraw/zinc/33/00/25/1066330025.db2.gz TUOPWLFKDXYNLN-FQEVSTJZSA-N 0 0 502.336 4.631 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccccc1F ZINC000409146513 1066917513 /nfs/dbraw/zinc/91/75/13/1066917513.db2.gz TUOPWLFKDXYNLN-HXUWFJFHSA-N 0 0 502.336 4.631 40 30 KJEBRN CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 ZINC000409146978 1066917275 /nfs/dbraw/zinc/91/72/75/1066917275.db2.gz UGEXQEGLWCXWPL-NRFANRHFSA-N 0 0 528.399 4.891 40 30 KJEBRN CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 ZINC000409146982 1066917285 /nfs/dbraw/zinc/91/72/85/1066917285.db2.gz UGEXQEGLWCXWPL-OAQYLSRUSA-N 0 0 528.399 4.891 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C1=O ZINC000409147042 1066917632 /nfs/dbraw/zinc/91/76/32/1066917632.db2.gz MFDHJNDGDJIYIZ-DGMIEQENSA-N 0 0 575.687 4.879 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C1=O ZINC000409147047 1066917497 /nfs/dbraw/zinc/91/74/97/1066917497.db2.gz MFDHJNDGDJIYIZ-IPLHSMHLSA-N 0 0 575.687 4.879 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409147422 1066927924 /nfs/dbraw/zinc/92/79/24/1066927924.db2.gz XTDRFSCMVPMXTJ-XIHDXPBISA-N 0 0 614.079 4.631 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409147425 1066928293 /nfs/dbraw/zinc/92/82/93/1066928293.db2.gz XTDRFSCMVPMXTJ-ZTJHJZSNSA-N 0 0 614.079 4.631 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OCc2ccc(C)cc2)cc1Br ZINC000409147776 1066328321 /nfs/dbraw/zinc/32/83/21/1066328321.db2.gz NQHZZCVKRSZKDC-JOCHJYFZSA-N 0 0 528.399 4.809 40 30 KJEBRN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OCc2ccc(C)cc2)cc1Br ZINC000409147780 1066927915 /nfs/dbraw/zinc/92/79/15/1066927915.db2.gz NQHZZCVKRSZKDC-QFIPXVFZSA-N 0 0 528.399 4.809 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)C1=O ZINC000409147924 1066927887 /nfs/dbraw/zinc/92/78/87/1066927887.db2.gz WQQSEMLTRSCUCM-LICLKQGHSA-N 0 0 604.157 4.693 40 30 KJEBRN C=CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409148144 1066927563 /nfs/dbraw/zinc/92/75/63/1066927563.db2.gz XKCQETKRIJMVIL-LICLKQGHSA-N 0 0 537.164 4.778 40 30 KJEBRN C#CCOc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1I ZINC000409148165 1066927574 /nfs/dbraw/zinc/92/75/74/1066927574.db2.gz OVUDRLIRUAERSH-HMMYKYKNSA-N 0 0 503.361 4.972 40 30 KJEBRN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cn(CC(=O)N3CCOCC3)c3ccc(Br)cc23)C1=O ZINC000409149243 1066926742 /nfs/dbraw/zinc/92/67/42/1066926742.db2.gz ZPXISUVULUMZFQ-OYKKKHCWSA-N 0 0 626.529 4.815 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409149593 1066926246 /nfs/dbraw/zinc/92/62/46/1066926246.db2.gz KSUXERHBGBCLSN-GWRYVSOYSA-N 0 0 630.122 4.920 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409149594 1066926180 /nfs/dbraw/zinc/92/61/80/1066926180.db2.gz KSUXERHBGBCLSN-XSTKMXAKSA-N 0 0 630.122 4.920 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409149676 1066328622 /nfs/dbraw/zinc/32/86/22/1066328622.db2.gz MYFVXPPJZHBQCZ-WQRHYEAKSA-N 0 0 551.871 4.978 40 30 KJEBRN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000409149995 1066926227 /nfs/dbraw/zinc/92/62/27/1066926227.db2.gz XRTGXFPTOHPKID-WSDLNYQXSA-N 0 0 518.392 4.679 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc(Br)c1OC ZINC000409150099 1066328876 /nfs/dbraw/zinc/32/88/76/1066328876.db2.gz AAWBDTCWARGLEQ-SRVANGTOSA-N 0 0 560.470 4.563 40 30 KJEBRN O=C(COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1)N1CCOCC1 ZINC000409150197 1066925789 /nfs/dbraw/zinc/92/57/89/1066925789.db2.gz AHYKOHWBVBUYBG-RDRPBHBLSA-N 0 0 503.624 4.867 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409150419 1066925844 /nfs/dbraw/zinc/92/58/44/1066925844.db2.gz BZWFMODXDNYLCT-LEMJEDKYSA-N 0 0 560.470 4.563 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1C#N ZINC000409151037 1066925175 /nfs/dbraw/zinc/92/51/75/1066925175.db2.gz FUILRXHJLQDDEP-RPPGKUMJSA-N 0 0 557.584 4.940 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409151045 1066925033 /nfs/dbraw/zinc/92/50/33/1066925033.db2.gz GEWWXGLLQGNWHL-UCQKPKSFSA-N 0 0 506.561 4.571 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409151103 1066925043 /nfs/dbraw/zinc/92/50/43/1066925043.db2.gz ADCOZAZBQFTOOK-MSXFZWOLSA-N 0 0 544.545 4.729 40 30 KJEBRN CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409151410 1066924701 /nfs/dbraw/zinc/92/47/01/1066924701.db2.gz GQLHDTBVWMYRMK-FLNDSNKGSA-N 0 0 538.629 4.843 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Br)cc1OC ZINC000409151716 1066924648 /nfs/dbraw/zinc/92/46/48/1066924648.db2.gz HXBIEWOMKCWQFB-RGVLZGJSSA-N 0 0 529.412 4.762 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc(OC)c1OC ZINC000409151778 1066924600 /nfs/dbraw/zinc/92/46/00/1066924600.db2.gz IBEVHWNZWYWJHJ-JAIQZWGSSA-N 0 0 530.986 4.547 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409151830 1066924711 /nfs/dbraw/zinc/92/47/11/1066924711.db2.gz HTORVZYGFWWJRV-UDWIEESQSA-N 0 0 576.412 4.604 40 30 KJEBRN Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)C(C)C)cc1 ZINC000409151838 1066924659 /nfs/dbraw/zinc/92/46/59/1066924659.db2.gz IEVXSWIENNNULO-JOCHJYFZSA-N 0 0 522.700 4.793 40 30 KJEBRN Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)C(C)C)cc1 ZINC000409151839 1066924752 /nfs/dbraw/zinc/92/47/52/1066924752.db2.gz IEVXSWIENNNULO-QFIPXVFZSA-N 0 0 522.700 4.793 40 30 KJEBRN CCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc1OCC ZINC000409151942 1066924282 /nfs/dbraw/zinc/92/42/82/1066924282.db2.gz CSZANXNSRGOZRO-VXQSOKKJSA-N 0 0 523.655 4.970 40 30 KJEBRN CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccnc2)CCCC3)ccc1OCC(=O)N1CCOCC1 ZINC000409152061 1066924359 /nfs/dbraw/zinc/92/43/59/1066924359.db2.gz JJHDRVKGMFONKA-KBVAKVRCSA-N 0 0 548.665 4.661 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1I ZINC000409152263 1066924291 /nfs/dbraw/zinc/92/42/91/1066924291.db2.gz ITWPMHJSRVECBK-WQRHYEAKSA-N 0 0 658.255 4.891 40 30 KJEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc1OCC ZINC000409152321 1066330809 /nfs/dbraw/zinc/33/08/09/1066330809.db2.gz IVVMGVDWSUFJHS-VXQSOKKJSA-N 0 0 523.655 4.970 40 30 KJEBRN CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409152392 1066924056 /nfs/dbraw/zinc/92/40/56/1066924056.db2.gz FBTNAJRAUQQOIU-KZUJGGMOSA-N 0 0 513.619 4.972 40 30 KJEBRN CCOc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(C(=O)N3CCOCC3)c2)N(C)C1=O ZINC000409152425 1066924024 /nfs/dbraw/zinc/92/40/24/1066924024.db2.gz KHHRTHWMRIWOSN-BYCOAOMCSA-N 0 0 530.444 4.554 40 30 KJEBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC#N)c(OC)c3)C2=O)ccc1Cl ZINC000409152469 1066924043 /nfs/dbraw/zinc/92/40/43/1066924043.db2.gz FGWOQQVIDTWZNF-XKZIYDEJSA-N 0 0 558.012 4.883 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)ccc1OC(C)C ZINC000409152649 1066330724 /nfs/dbraw/zinc/33/07/24/1066330724.db2.gz FUPAGKAWDLTEIE-WZNPNLAZSA-N 0 0 523.655 4.969 40 30 KJEBRN C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCCCC)c3)C2=O)cc1OC ZINC000409152821 1066923661 /nfs/dbraw/zinc/92/36/61/1066923661.db2.gz GJMCODWHRWGMNV-UCQKPKSFSA-N 0 0 557.024 4.993 40 30 KJEBRN CN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409152857 1066923545 /nfs/dbraw/zinc/92/35/45/1066923545.db2.gz BWDPUJWEJPKCEC-ACQOKJFWSA-N 0 0 558.616 4.880 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc1 ZINC000409153030 1066923568 /nfs/dbraw/zinc/92/35/68/1066923568.db2.gz HCSMQXNPUPZOPB-UDWIEESQSA-N 0 0 500.960 4.757 40 30 KJEBRN CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)N3CCOCC3)c2)N(CC)C1=O ZINC000409153278 1066923176 /nfs/dbraw/zinc/92/31/76/1066923176.db2.gz HLZBNISTAWVLIH-GUYNSBPLSA-N 0 0 500.020 4.835 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc1OCC ZINC000409153459 1066923047 /nfs/dbraw/zinc/92/30/47/1066923047.db2.gz IDHJQRNGSBWEQT-ARHLOOPDSA-N 0 0 693.560 4.728 40 30 KJEBRN CCCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc1OC ZINC000409153529 1066330734 /nfs/dbraw/zinc/33/07/34/1066330734.db2.gz LXYAOSCMPRQHNG-ITWWWJCVSA-N 0 0 574.497 4.953 40 30 KJEBRN CCCCCOc1c(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cccc1OC ZINC000409153924 1066923171 /nfs/dbraw/zinc/92/31/71/1066923171.db2.gz JGCOYLVYXXDJJA-CMEPDWACSA-N 0 0 523.655 4.970 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1OCC ZINC000409153996 1066922774 /nfs/dbraw/zinc/92/27/74/1066922774.db2.gz OIBWCQIXHDLFNZ-MOSHPQCFSA-N 0 0 529.412 4.843 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1OC ZINC000409154059 1066922806 /nfs/dbraw/zinc/92/28/06/1066922806.db2.gz FSTQGMWXOYHTIT-YBFXNURJSA-N 0 0 594.452 4.709 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409154117 1066922682 /nfs/dbraw/zinc/92/26/82/1066922682.db2.gz NTPNUAREOIXQEF-WQRHYEAKSA-N 0 0 535.803 4.798 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OCC ZINC000409154420 1066922332 /nfs/dbraw/zinc/92/23/32/1066922332.db2.gz AMCNZYGWRRLSDK-MOSHPQCFSA-N 0 0 545.411 4.543 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc(Br)cc1OC ZINC000409154466 1066922383 /nfs/dbraw/zinc/92/23/83/1066922383.db2.gz OOUVSKLUDIIHGP-KEBDBYFISA-N 0 0 607.866 4.975 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc(Br)cc1OC ZINC000409154579 1066922487 /nfs/dbraw/zinc/92/24/87/1066922487.db2.gz KKNUYZIBALQZQH-DJKKODMXSA-N 0 0 593.839 4.585 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc(Br)cc1OC ZINC000409154593 1066330885 /nfs/dbraw/zinc/33/08/85/1066330885.db2.gz KKZAXCZZMIYDAY-UDWIEESQSA-N 0 0 545.411 4.543 40 30 KJEBRN COc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1OCC(=O)N1CCOCC1 ZINC000409154647 1066922357 /nfs/dbraw/zinc/92/23/57/1066922357.db2.gz HDONYSANFKMUBL-UXHLAJHPSA-N 0 0 539.698 4.686 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1OC ZINC000409154699 1066921970 /nfs/dbraw/zinc/92/19/70/1066921970.db2.gz OECKBFGDCUXICI-ODLFYWEKSA-N 0 0 547.452 4.867 40 30 KJEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409154701 1066922390 /nfs/dbraw/zinc/92/23/90/1066922390.db2.gz HIJJROLSZAETHC-FMCGGJTJSA-N 0 0 535.559 4.779 40 30 KJEBRN CCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc1OC ZINC000409155009 1066330679 /nfs/dbraw/zinc/33/06/79/1066330679.db2.gz PFMCBKWCGDMVDI-BDOZFWBASA-N 0 0 509.628 4.580 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409155408 1066921186 /nfs/dbraw/zinc/92/11/86/1066921186.db2.gz IPYVJFOCVFMWSP-BYCOAOMCSA-N 0 0 530.444 4.554 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc(Br)c1OC ZINC000409155455 1066921103 /nfs/dbraw/zinc/92/11/03/1066921103.db2.gz ISDHWUGOPFPUHL-ITWWWJCVSA-N 0 0 574.497 4.953 40 30 KJEBRN CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)c2ccccc12 ZINC000409155737 1066921231 /nfs/dbraw/zinc/92/12/31/1066921231.db2.gz MQIZYXZNHCUABP-VXQSOKKJSA-N 0 0 501.608 4.945 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC ZINC000409155766 1066921284 /nfs/dbraw/zinc/92/12/84/1066921284.db2.gz MUYPWSUAYHVPCD-GRSHGNNSSA-N 0 0 531.384 4.508 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OCC ZINC000409155854 1066920836 /nfs/dbraw/zinc/92/08/36/1066920836.db2.gz DNGXZPXZPCRUTR-KEBDBYFISA-N 0 0 516.959 4.707 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc(OC)c1OC ZINC000409155877 1066920830 /nfs/dbraw/zinc/92/08/30/1066920830.db2.gz RHNWGKKFZALBRE-MTJSOVHGSA-N 0 0 545.013 4.937 40 30 KJEBRN CCOc1c(I)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC ZINC000409156118 1066920851 /nfs/dbraw/zinc/92/08/51/1066920851.db2.gz RUJJTIWFMOFACT-VCHYOVAHSA-N 0 0 520.348 4.807 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc(I)c1OCC ZINC000409156216 1066920843 /nfs/dbraw/zinc/92/08/43/1066920843.db2.gz MYPAJUDKTLCRDU-ITWWWJCVSA-N 0 0 621.497 4.795 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(OC)c1OC ZINC000409156488 1066920426 /nfs/dbraw/zinc/92/04/26/1066920426.db2.gz GAWKGNHMOLLLFL-UNOMPAQXSA-N 0 0 517.401 4.870 40 30 KJEBRN O=C(COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1)N1CCOCC1 ZINC000409156560 1066920475 /nfs/dbraw/zinc/92/04/75/1066920475.db2.gz OVQLQBOTWQBLTQ-LCOAIJAZSA-N 0 0 505.640 4.861 40 30 KJEBRN CCCOc1c(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cccc1OC ZINC000409156719 1066920000 /nfs/dbraw/zinc/92/00/00/1066920000.db2.gz SZDKPZCXVNLHTC-ISRQPNLCSA-N 0 0 509.628 4.580 40 30 KJEBRN CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc1OCC ZINC000409156930 1066919671 /nfs/dbraw/zinc/91/96/71/1066919671.db2.gz VBBNPZBXTSJYFY-BDOZFWBASA-N 0 0 509.628 4.580 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc1OCC ZINC000409156955 1066920107 /nfs/dbraw/zinc/92/01/07/1066920107.db2.gz OQOZFQRPJLJVIR-ARHLOOPDSA-N 0 0 646.560 4.886 40 30 KJEBRN CCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc1OC ZINC000409157024 1066919703 /nfs/dbraw/zinc/91/97/03/1066919703.db2.gz PQQKNDPBSZPCFM-ITWWWJCVSA-N 0 0 574.497 4.953 40 30 KJEBRN CCOc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(C(=O)N3CCOCC3)c2)N(CC)C1=O ZINC000409157259 1066919624 /nfs/dbraw/zinc/91/96/24/1066919624.db2.gz VDXWMXWLGQBDIY-GUYNSBPLSA-N 0 0 544.471 4.944 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc(Br)c1OCC ZINC000409157888 1066935300 /nfs/dbraw/zinc/93/53/00/1066935300.db2.gz NQSUSHPSZIYKBZ-ITWWWJCVSA-N 0 0 574.497 4.953 40 30 KJEBRN O=C(Cn1cc(/C=N/c2sc3c(c2C(=O)Nc2cccnc2)CCCC3)c2ccccc21)N1CCOCC1 ZINC000409157902 1066935328 /nfs/dbraw/zinc/93/53/28/1066935328.db2.gz WTNQMRDXOPSLBV-WCMJOSRZSA-N 0 0 527.650 4.838 40 30 KJEBRN CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2C#N)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409158122 1066935267 /nfs/dbraw/zinc/93/52/67/1066935267.db2.gz KHEPZYSJCIQUOD-BDBFOOTBSA-N 0 0 538.629 4.843 40 30 KJEBRN CC(C)Oc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(C(=O)N3CCOCC3)c2)N(C)C1=O ZINC000409158254 1066330243 /nfs/dbraw/zinc/33/02/43/1066330243.db2.gz XYBQHFKVWBWACM-NUVWRXCPSA-N 0 0 544.471 4.943 40 30 KJEBRN CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409158398 1066935020 /nfs/dbraw/zinc/93/50/20/1066935020.db2.gz RDGSWBQRZTWIEC-QPVYCHHJSA-N 0 0 530.444 4.554 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(I)c1OC ZINC000409158525 1066934694 /nfs/dbraw/zinc/93/46/94/1066934694.db2.gz RIRREYLJWNMIGD-VCHYOVAHSA-N 0 0 520.348 4.807 40 30 KJEBRN O=C(COc1ccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1)N1CCOCC1 ZINC000409159181 1066934628 /nfs/dbraw/zinc/93/46/28/1066934628.db2.gz ZGKMSEDZXYYGDC-RDRPBHBLSA-N 0 0 509.672 4.678 40 30 KJEBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409159261 1066934190 /nfs/dbraw/zinc/93/41/90/1066934190.db2.gz ZWTRRTQPHKBCSD-VEDQWSTJSA-N 0 0 509.628 4.579 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1OC ZINC000409159360 1066330551 /nfs/dbraw/zinc/33/05/51/1066330551.db2.gz ZPHKNWGCZJXTER-UNOMPAQXSA-N 0 0 529.412 4.762 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Br)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409159482 1066330472 /nfs/dbraw/zinc/33/04/72/1066330472.db2.gz MQTBPHWUNIELGT-LEMJEDKYSA-N 0 0 560.470 4.563 40 30 KJEBRN CCCOc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(C(=O)N3CCOCC3)c2)N(C)C1=O ZINC000409159574 1066933761 /nfs/dbraw/zinc/93/37/61/1066933761.db2.gz RDHHBHFLOWFDFG-GUYNSBPLSA-N 0 0 544.471 4.944 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1I ZINC000409159679 1066933808 /nfs/dbraw/zinc/93/38/08/1066933808.db2.gz WFDJYVARLNMSRI-WQRHYEAKSA-N 0 0 658.255 4.891 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409159789 1066933322 /nfs/dbraw/zinc/93/33/22/1066933322.db2.gz URHFMIWPQPIRGQ-WOJGMQOQSA-N 0 0 582.803 4.640 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1OC ZINC000409159826 1066933528 /nfs/dbraw/zinc/93/35/28/1066933528.db2.gz VEEYMYWLGSGJAM-WOJGMQOQSA-N 0 0 627.254 4.749 40 30 KJEBRN CC(C)Oc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)N3CCOCC3)c2)N(C)C1=O ZINC000409160240 1066330290 /nfs/dbraw/zinc/33/02/90/1066330290.db2.gz WKOQBKIMWFNSHP-NUVWRXCPSA-N 0 0 500.020 4.833 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC ZINC000409160301 1066933330 /nfs/dbraw/zinc/93/33/30/1066933330.db2.gz TYVOEMMBEPRRRS-ZDLGFXPLSA-N 0 0 535.803 4.798 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(Br)cc1OC ZINC000409160509 1066933460 /nfs/dbraw/zinc/93/34/60/1066933460.db2.gz QPAZASZDTPRJNC-YBFXNURJSA-N 0 0 529.412 4.762 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(I)c1O ZINC000409160616 1066933118 /nfs/dbraw/zinc/93/31/18/1066933118.db2.gz UXIOFWYSCPHHOQ-RQZCQDPDSA-N 0 0 506.321 4.504 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O ZINC000409160816 1066932620 /nfs/dbraw/zinc/93/26/20/1066932620.db2.gz XHTCDKCCBVQHRP-XDHOZWIPSA-N 0 0 503.374 4.698 40 30 KJEBRN CCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc1OCC ZINC000409160914 1066933129 /nfs/dbraw/zinc/93/31/29/1066933129.db2.gz XXJCOWINOURACN-BDOZFWBASA-N 0 0 509.628 4.580 40 30 KJEBRN CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409161029 1066932685 /nfs/dbraw/zinc/93/26/85/1066932685.db2.gz SOZOJEDLVDXLBK-SQJAOTTLSA-N 0 0 500.418 4.545 40 30 KJEBRN COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc(I)c1OC(C)C ZINC000409161510 1066331322 /nfs/dbraw/zinc/33/13/22/1066331322.db2.gz YIUGESPFBJNOCL-BPRICDSQSA-N 0 0 621.497 4.793 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161568 1066932304 /nfs/dbraw/zinc/93/23/04/1066932304.db2.gz VVACYJLWIVZGRI-MSXFZWOLSA-N 0 0 565.585 4.788 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc(Cl)c1O ZINC000409161693 1066932033 /nfs/dbraw/zinc/93/20/33/1066932033.db2.gz AJEGODMUAABZHW-SRVANGTOSA-N 0 0 516.019 4.541 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC ZINC000409161788 1066931974 /nfs/dbraw/zinc/93/19/74/1066931974.db2.gz PSTIYWCJJQSHPI-JMIUGGIZSA-N 0 0 561.523 4.919 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1cccc3ccccc31)C(C(=O)OCC)=C(C)N=2 ZINC000409162074 1066931611 /nfs/dbraw/zinc/93/16/11/1066931611.db2.gz REQLDMHSEPRGBE-ABBNRAPFSA-N 0 0 587.495 4.726 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1cccc3ccccc31)C(C(=O)OCC)=C(C)N=2 ZINC000409162076 1066931766 /nfs/dbraw/zinc/93/17/66/1066931766.db2.gz REQLDMHSEPRGBE-CSJROMOCSA-N 0 0 587.495 4.726 40 30 KJEBRN COc1ccc(COc2ccc(/C=C3/S/C(=N\c4cccc(C(=O)N5CCOCC5)c4)N(C)C3=O)cc2)cc1 ZINC000409162214 1066331266 /nfs/dbraw/zinc/33/12/66/1066331266.db2.gz YMMLWVHJIYAHDN-DCPXBMFFSA-N 0 0 543.645 4.980 40 30 KJEBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)C2=O)cc1 ZINC000409162257 1066931714 /nfs/dbraw/zinc/93/17/14/1066931714.db2.gz ZBHRWVUADCGKRA-QFEZKATASA-N 0 0 529.574 4.829 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc(OCC)c1OCC ZINC000409162363 1066931638 /nfs/dbraw/zinc/93/16/38/1066931638.db2.gz UULDDEWJAMMGDR-XIEYBQDHSA-N 0 0 551.665 4.724 40 30 KJEBRN CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Br ZINC000409162440 1066331161 /nfs/dbraw/zinc/33/11/61/1066331161.db2.gz VILDMJTYAVWHEO-IWHMWFFRSA-N 0 0 500.396 4.741 40 30 KJEBRN CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Br ZINC000409162443 1066931322 /nfs/dbraw/zinc/93/13/22/1066931322.db2.gz VILDMJTYAVWHEO-SVMNTTRFSA-N 0 0 500.396 4.741 40 30 KJEBRN CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Br ZINC000409162446 1066931388 /nfs/dbraw/zinc/93/13/88/1066931388.db2.gz VILDMJTYAVWHEO-VAKVWIOVSA-N 0 0 500.396 4.741 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(I)c1O ZINC000409162520 1066931649 /nfs/dbraw/zinc/93/16/49/1066931649.db2.gz WGHRIIZXCJPTQM-CFADGJLPSA-N 0 0 564.379 4.622 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(I)c1O ZINC000409162521 1066931708 /nfs/dbraw/zinc/93/17/08/1066931708.db2.gz WGHRIIZXCJPTQM-MTCHKFKRSA-N 0 0 564.379 4.622 40 30 KJEBRN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(I)c1O ZINC000409162522 1066931754 /nfs/dbraw/zinc/93/17/54/1066931754.db2.gz WGHRIIZXCJPTQM-YFLNJTSXSA-N 0 0 564.379 4.622 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(Br)cc1OC ZINC000409162797 1066931411 /nfs/dbraw/zinc/93/14/11/1066931411.db2.gz HZEPWGBKALNEDB-VCHYOVAHSA-N 0 0 535.803 4.798 40 30 KJEBRN CC(C)Oc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc1Br ZINC000409162822 1066931297 /nfs/dbraw/zinc/93/12/97/1066931297.db2.gz IISQQZVTIXMVPW-LEMJEDKYSA-N 0 0 544.471 4.943 40 30 KJEBRN CCCOc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc1OC ZINC000409162890 1066930890 /nfs/dbraw/zinc/93/08/90/1066930890.db2.gz JCLVOMRRUDFJPJ-ITWWWJCVSA-N 0 0 621.497 4.795 40 30 KJEBRN C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCCC)c3)C2=O)cc1OC ZINC000409163024 1066931045 /nfs/dbraw/zinc/93/10/45/1066931045.db2.gz KVDZXXPDYNXHPB-XKZIYDEJSA-N 0 0 542.997 4.602 40 30 KJEBRN CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC#N)c(OCC)c3)C2=O)ccc1Cl ZINC000409163312 1066930594 /nfs/dbraw/zinc/93/05/94/1066930594.db2.gz PMEPGGBPWLDLBX-XKZIYDEJSA-N 0 0 558.012 4.883 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1OCC ZINC000409163332 1066331286 /nfs/dbraw/zinc/33/12/86/1066331286.db2.gz PUFCHCQEONODET-JAIQZWGSSA-N 0 0 607.866 4.975 40 30 KJEBRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC ZINC000409163872 1066930123 /nfs/dbraw/zinc/93/01/23/1066930123.db2.gz YYDFNXMILAIZBS-QFEZKATASA-N 0 0 529.574 4.829 40 30 KJEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc1OC ZINC000409163879 1066930319 /nfs/dbraw/zinc/93/03/19/1066930319.db2.gz YZRNVBPSIZGSBX-BDOZFWBASA-N 0 0 509.628 4.580 40 30 KJEBRN CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)N3CCOCC3)c2)N(C)C1=O ZINC000409164450 1066929773 /nfs/dbraw/zinc/92/97/73/1066929773.db2.gz IQZZKGDRUFSREB-GUYNSBPLSA-N 0 0 500.020 4.835 40 30 KJEBRN CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409164550 1066929469 /nfs/dbraw/zinc/92/94/69/1066929469.db2.gz KDBUFZPNLXKJRC-SQJAOTTLSA-N 0 0 500.418 4.545 40 30 KJEBRN COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)ccc1OCc1ccccc1C#N ZINC000409164551 1066929339 /nfs/dbraw/zinc/92/93/39/1066929339.db2.gz KDHRODAKAKSCAT-SSDILRPVSA-N 0 0 568.655 4.852 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc(Br)c1O ZINC000409165009 1066929078 /nfs/dbraw/zinc/92/90/78/1066929078.db2.gz QYCWMTAUPTZQRN-SRVANGTOSA-N 0 0 560.470 4.650 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCC ZINC000409165148 1066929148 /nfs/dbraw/zinc/92/91/48/1066929148.db2.gz TWDAZTJUDSBQOT-WSDLNYQXSA-N 0 0 510.568 4.616 40 30 KJEBRN CCOc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1OCC(=O)N1CCOCC1 ZINC000409165522 1066331753 /nfs/dbraw/zinc/33/17/53/1066331753.db2.gz ZASXXQSCEFSZJQ-FMFFXOCNSA-N 0 0 561.704 4.944 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC ZINC000409165637 1066928657 /nfs/dbraw/zinc/92/86/57/1066928657.db2.gz ANPHMEBYEXBDPU-VCHYOVAHSA-N 0 0 582.803 4.640 40 30 KJEBRN CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409166012 1066928332 /nfs/dbraw/zinc/92/83/32/1066928332.db2.gz CAYYZNLCTMZZEP-ACQOKJFWSA-N 0 0 558.616 4.880 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(Br)cc1OC ZINC000409166107 1066332526 /nfs/dbraw/zinc/33/25/26/1066332526.db2.gz BNFMPNODQTZFEX-VXLYETTFSA-N 0 0 547.452 4.867 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OCC ZINC000409166232 1066936650 /nfs/dbraw/zinc/93/66/50/1066936650.db2.gz CEOLIDJOTRGQDP-KEBDBYFISA-N 0 0 561.410 4.816 40 30 KJEBRN CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000409166506 1066936421 /nfs/dbraw/zinc/93/64/21/1066936421.db2.gz GLSXYGVOJSZESH-RQZCQDPDSA-N 0 0 505.166 4.575 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(Br)c(OC)c(OC)c2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409166510 1066936660 /nfs/dbraw/zinc/93/66/60/1066936660.db2.gz FBRPGVXVESOIIJ-SRVANGTOSA-N 0 0 560.470 4.563 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1C#N ZINC000409166877 1066936441 /nfs/dbraw/zinc/93/64/41/1066936441.db2.gz GKVCYUGDBLBEPT-GATIEOLUSA-N 0 0 543.557 4.550 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OCC ZINC000409167171 1066935936 /nfs/dbraw/zinc/93/59/36/1066935936.db2.gz HFRONCIJOONZFJ-DEDYPNTBSA-N 0 0 502.976 4.987 40 30 KJEBRN COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)ccc1OCc1ccccc1 ZINC000409167330 1066937027 /nfs/dbraw/zinc/93/70/27/1066937027.db2.gz IDAQSAAQQSFAEE-DCPXBMFFSA-N 0 0 543.645 4.980 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OCC ZINC000409167423 1066945624 /nfs/dbraw/zinc/94/56/24/1066945624.db2.gz KMKSXFKNUJHEHS-UFFVCSGVSA-N 0 0 545.411 4.898 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OCC ZINC000409167472 1066945584 /nfs/dbraw/zinc/94/55/84/1066945584.db2.gz MEVNIGWPZGUJBD-RGVLZGJSSA-N 0 0 545.411 4.898 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(Br)cc1OCC(=O)OC ZINC000409167916 1066945179 /nfs/dbraw/zinc/94/51/79/1066945179.db2.gz OZNLBUCEBSTTRC-AWQFTUOYSA-N 0 0 531.384 4.508 40 30 KJEBRN O=C(COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1)N1CCOCC1 ZINC000409168031 1066944731 /nfs/dbraw/zinc/94/47/31/1066944731.db2.gz KSHLGLXIYBGVSG-ZCTHSVRISA-N 0 0 517.651 4.545 40 30 KJEBRN COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409168059 1066944618 /nfs/dbraw/zinc/94/46/18/1066944618.db2.gz KZSZPMSEZNECSC-IKFAVLQYSA-N 0 0 588.642 4.889 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409168305 1066944650 /nfs/dbraw/zinc/94/46/50/1066944650.db2.gz PWDDQCUFVQLSPK-ZMOGYAJESA-N 0 0 517.538 4.960 40 30 KJEBRN COc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1OCC(=O)N1CCOCC1 ZINC000409168388 1066944693 /nfs/dbraw/zinc/94/46/93/1066944693.db2.gz LZZOFEJXWQCKDV-BIZUNTBRSA-N 0 0 547.677 4.554 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc(I)c1OC ZINC000409168396 1066944657 /nfs/dbraw/zinc/94/46/57/1066944657.db2.gz MBGWLMSIPLJFLH-ITWWWJCVSA-N 0 0 621.497 4.795 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1OC ZINC000409168567 1066944251 /nfs/dbraw/zinc/94/42/51/1066944251.db2.gz MSHGSTKREZSLLV-GRSHGNNSSA-N 0 0 593.839 4.585 40 30 KJEBRN COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc(Br)c1OC(C)C ZINC000409168628 1066944326 /nfs/dbraw/zinc/94/43/26/1066944326.db2.gz NGCBKHGCJVSSDN-BPRICDSQSA-N 0 0 574.497 4.951 40 30 KJEBRN CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409168677 1066944271 /nfs/dbraw/zinc/94/42/71/1066944271.db2.gz OCAZZTZVYBZXBW-VXQSOKKJSA-N 0 0 501.608 4.945 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc1OC ZINC000409168984 1066943782 /nfs/dbraw/zinc/94/37/82/1066943782.db2.gz OKILSSMZXDQZTN-CIAFOILYSA-N 0 0 530.986 4.765 40 30 KJEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc1OC ZINC000409169106 1066943905 /nfs/dbraw/zinc/94/39/05/1066943905.db2.gz ORQCYQXFAVIWLT-VXQSOKKJSA-N 0 0 523.655 4.970 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1I ZINC000409169132 1066943591 /nfs/dbraw/zinc/94/35/91/1066943591.db2.gz OZDHDOJPVPWABH-WQRHYEAKSA-N 0 0 658.255 4.891 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC ZINC000409169181 1066332703 /nfs/dbraw/zinc/33/27/03/1066332703.db2.gz VGGXPSNBLFOSEY-ODLFYWEKSA-N 0 0 532.359 4.973 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1OCC ZINC000409169197 1066943856 /nfs/dbraw/zinc/94/38/56/1066943856.db2.gz OSCYXQUMHUXDGV-CIAFOILYSA-N 0 0 530.986 4.765 40 30 KJEBRN CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc1Br ZINC000409169214 1066943834 /nfs/dbraw/zinc/94/38/34/1066943834.db2.gz OVSLLDLCVNMVIB-QPVYCHHJSA-N 0 0 530.444 4.554 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1OC ZINC000409169578 1066331529 /nfs/dbraw/zinc/33/15/29/1066331529.db2.gz QBHSJMFVISKVOH-WQRHYEAKSA-N 0 0 580.254 4.907 40 30 KJEBRN COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Br ZINC000409169721 1066943061 /nfs/dbraw/zinc/94/30/61/1066943061.db2.gz YOOZEJPINRSBDG-CAOOACKPSA-N 0 0 566.227 4.872 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC ZINC000409169866 1066942998 /nfs/dbraw/zinc/94/29/98/1066942998.db2.gz SIAZKSADOFBYCX-NDENLUEZSA-N 0 0 529.412 4.762 40 30 KJEBRN CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc1Br ZINC000409169913 1066943111 /nfs/dbraw/zinc/94/31/11/1066943111.db2.gz RFWSFKMGVKYIIH-NUVWRXCPSA-N 0 0 544.471 4.944 40 30 KJEBRN COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCC(=O)N1CCOCC1 ZINC000409170535 1066942693 /nfs/dbraw/zinc/94/26/93/1066942693.db2.gz WFXOFRYZEJONEA-UXHLAJHPSA-N 0 0 533.650 4.876 40 30 KJEBRN CCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)cc1OC ZINC000409171154 1066941989 /nfs/dbraw/zinc/94/19/89/1066941989.db2.gz YHHUWNFOVZTFGI-SRVANGTOSA-N 0 0 560.470 4.563 40 30 KJEBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000409171971 1066941050 /nfs/dbraw/zinc/94/10/50/1066941050.db2.gz FZDMPMLYIZQGMF-UCQKPKSFSA-N 0 0 501.589 4.692 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1OC ZINC000409172040 1066941567 /nfs/dbraw/zinc/94/15/67/1066941567.db2.gz BCPYEHAHMIKNRT-XDHOZWIPSA-N 0 0 576.412 4.604 40 30 KJEBRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)C(C)C)c1 ZINC000409172058 1066941163 /nfs/dbraw/zinc/94/11/63/1066941163.db2.gz BJJSOBLZOFFSJH-JOCHJYFZSA-N 0 0 522.700 4.793 40 30 KJEBRN Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)C(C)C)c1 ZINC000409172059 1066941073 /nfs/dbraw/zinc/94/10/73/1066941073.db2.gz BJJSOBLZOFFSJH-QFIPXVFZSA-N 0 0 522.700 4.793 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OCC ZINC000409172186 1066941103 /nfs/dbraw/zinc/94/11/03/1066941103.db2.gz CRWHFIGMUUHRAZ-RGVLZGJSSA-N 0 0 500.960 4.789 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1I ZINC000409172325 1066941211 /nfs/dbraw/zinc/94/12/11/1066941211.db2.gz CKKRSSONNLUNSE-WQRHYEAKSA-N 0 0 674.254 4.591 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000409172395 1066941082 /nfs/dbraw/zinc/94/10/82/1066941082.db2.gz HCJSVZZVOKQEDR-MHWRWJLKSA-N 0 0 604.569 4.659 40 30 KJEBRN COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409172502 1066940723 /nfs/dbraw/zinc/94/07/23/1066940723.db2.gz JOMCMHNHDPEENM-YDZHTSKRSA-N 0 0 517.538 4.960 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1I ZINC000409173114 1066940245 /nfs/dbraw/zinc/94/02/45/1066940245.db2.gz JXHLIUQQACZVDR-YBFXNURJSA-N 0 0 502.333 4.964 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1OC ZINC000409173197 1066333392 /nfs/dbraw/zinc/33/33/92/1066333392.db2.gz HMJCZFYBPZDIHR-XDHOZWIPSA-N 0 0 503.374 4.698 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc1OC ZINC000409173424 1066940224 /nfs/dbraw/zinc/94/02/24/1066940224.db2.gz MUMHWGYZWUVRDN-DEDYPNTBSA-N 0 0 576.412 4.549 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1I ZINC000409173624 1066939728 /nfs/dbraw/zinc/93/97/28/1066939728.db2.gz MUTFTVGNEGDKGS-GIJQJNRQSA-N 0 0 674.254 4.946 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OCC ZINC000409173709 1066939859 /nfs/dbraw/zinc/93/98/59/1066939859.db2.gz QMWUVVNTKBJEHA-RGVLZGJSSA-N 0 0 592.411 4.740 40 30 KJEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(I)cc(I)c2O)C1=O ZINC000409173726 1066939903 /nfs/dbraw/zinc/93/99/03/1066939903.db2.gz QSMZWPBDLZRCKN-GIDUJCDVSA-N 0 0 588.164 4.710 40 30 KJEBRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Br ZINC000409174113 1066939403 /nfs/dbraw/zinc/93/94/03/1066939403.db2.gz SBOBBAQSNQHMIZ-CAOOACKPSA-N 0 0 521.776 4.762 40 30 KJEBRN COc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409174149 1066939499 /nfs/dbraw/zinc/93/94/99/1066939499.db2.gz LOPQKJJWHJWJKS-BQYHVMRESA-N 0 0 535.666 4.870 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc1OC ZINC000409174159 1066939465 /nfs/dbraw/zinc/93/94/65/1066939465.db2.gz LQRVONOPDAEVCR-RGVLZGJSSA-N 0 0 654.866 4.817 40 30 KJEBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Br)c1OCC(=O)OC ZINC000409174543 1066939089 /nfs/dbraw/zinc/93/90/89/1066939089.db2.gz NFYGHTBJFUZFFK-GRSHGNNSSA-N 0 0 531.384 4.508 40 30 KJEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cccc(C(=O)N3CCOCC3)c2)N(C)C1=O ZINC000409174559 1066939134 /nfs/dbraw/zinc/93/91/34/1066939134.db2.gz NPCGPOXHMLEXCZ-VXQSOKKJSA-N 0 0 501.608 4.945 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Br)cc1OC ZINC000409174769 1066939050 /nfs/dbraw/zinc/93/90/50/1066939050.db2.gz OSCRUOJEKUTPCK-VCHYOVAHSA-N 0 0 580.254 4.907 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc(OCC)c1OC ZINC000409174985 1066938647 /nfs/dbraw/zinc/93/86/47/1066938647.db2.gz XCKJVRMCOYOANE-CIAFOILYSA-N 0 0 545.013 4.937 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC ZINC000409175219 1066938550 /nfs/dbraw/zinc/93/85/50/1066938550.db2.gz XYBSHOOQVZEOJV-AWQFTUOYSA-N 0 0 531.384 4.508 40 30 KJEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2cc(Br)cc(I)c2O)C1=O ZINC000409175388 1066938632 /nfs/dbraw/zinc/93/86/32/1066938632.db2.gz YJFRXGPKXJCQRE-UUASQNMZSA-N 0 0 541.164 4.867 40 30 KJEBRN COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1I ZINC000409175392 1066938668 /nfs/dbraw/zinc/93/86/68/1066938668.db2.gz YNWGZHQVGIFUQW-CAOOACKPSA-N 0 0 660.227 4.556 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409175428 1066333702 /nfs/dbraw/zinc/33/37/02/1066333702.db2.gz ZAUPNKZMXNHBTH-MHWRWJLKSA-N 0 0 510.569 4.974 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(C)C2=O)ccc1OC(C)C ZINC000409175608 1066938236 /nfs/dbraw/zinc/93/82/36/1066938236.db2.gz SUFUAVHEPAHSTL-VEDQWSTJSA-N 0 0 509.628 4.579 40 30 KJEBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C#N)o3)C2=O)ccc1Cl ZINC000409175620 1066938176 /nfs/dbraw/zinc/93/81/76/1066938176.db2.gz TUSBAFBMDOQKPZ-SRZZPIQSSA-N 0 0 521.938 4.933 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(Br)cc1OC ZINC000409175798 1066937769 /nfs/dbraw/zinc/93/77/69/1066937769.db2.gz VANGEWJDBOXTFL-GIJQJNRQSA-N 0 0 535.803 4.798 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc1OC ZINC000409176007 1066937808 /nfs/dbraw/zinc/93/78/08/1066937808.db2.gz WSTUKSLXSKECAU-JAIQZWGSSA-N 0 0 607.866 4.975 40 30 KJEBRN CCOc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)N4CCOCC4)c3)N(CC)C2=O)cc1OC ZINC000409176070 1066937803 /nfs/dbraw/zinc/93/78/03/1066937803.db2.gz XZFCJLOSPUQPGF-ITWWWJCVSA-N 0 0 621.497 4.795 40 30 KJEBRN CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000409176285 1066937499 /nfs/dbraw/zinc/93/74/99/1066937499.db2.gz ZWXUJIZLPWBFTL-FXGPLFPQSA-N 0 0 513.619 4.972 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc1OC ZINC000409177000 1066937311 /nfs/dbraw/zinc/93/73/11/1066937311.db2.gz AFVCILXNWDUTGC-MOSHPQCFSA-N 0 0 529.412 4.707 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC ZINC000409177254 1066333735 /nfs/dbraw/zinc/33/37/35/1066333735.db2.gz FVOAUOIOPSVLHJ-NDENLUEZSA-N 0 0 529.412 4.762 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409177426 1066949310 /nfs/dbraw/zinc/94/93/10/1066949310.db2.gz AKORBGXFSHXLDX-VXLYETTFSA-N 0 0 596.830 4.949 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409177723 1066949381 /nfs/dbraw/zinc/94/93/81/1066949381.db2.gz IDNQQNSXMMQWFY-UHFFFAOYSA-N 0 0 512.031 4.707 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC ZINC000409178365 1066334001 /nfs/dbraw/zinc/33/40/01/1066334001.db2.gz LHGWABDKTWOIBL-UDWIEESQSA-N 0 0 576.412 4.604 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc(Br)cc1OC ZINC000409179355 1066334249 /nfs/dbraw/zinc/33/42/49/1066334249.db2.gz QQFVZRIZPKWWJE-UDWIEESQSA-N 0 0 529.412 4.707 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(Br)cc1OC ZINC000409182792 1066946788 /nfs/dbraw/zinc/94/67/88/1066946788.db2.gz NZRMBEJYCNIVHK-RGVLZGJSSA-N 0 0 529.412 4.762 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC ZINC000409183188 1066946281 /nfs/dbraw/zinc/94/62/81/1066946281.db2.gz QKNLWPCHYFCYEW-QGOAFFKASA-N 0 0 519.442 4.959 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409183803 1066946380 /nfs/dbraw/zinc/94/63/80/1066946380.db2.gz SWIUDYQZNFXMSG-SOJUGJLBSA-N 0 0 617.687 4.890 40 30 KJEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409183804 1066946372 /nfs/dbraw/zinc/94/63/72/1066946372.db2.gz SWIUDYQZNFXMSG-ZMTYCLHQSA-N 0 0 617.687 4.890 40 30 KJEBRN CCOC(=O)C1=C(C)NC(=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)C1=O ZINC000409185115 1066945516 /nfs/dbraw/zinc/94/55/16/1066945516.db2.gz JJQWIHUEANPUKG-BUVRLJJBSA-N 0 0 541.025 4.674 40 30 KJEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NS(=O)(=O)c2ccc(C)cc2)nnc1-c1ccccc1 ZINC000409187997 1066334519 /nfs/dbraw/zinc/33/45/19/1066334519.db2.gz FAHFOBIXFPTSMZ-PCLIKHOPSA-N 0 0 522.612 4.645 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000409189957 1066955597 /nfs/dbraw/zinc/95/55/97/1066955597.db2.gz OIGSAOXXBJHDDI-XDHOZWIPSA-N 0 0 518.351 4.520 40 30 KJEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccco1 ZINC000409190364 1066955603 /nfs/dbraw/zinc/95/56/03/1066955603.db2.gz XPJHQLLZELFNFS-WSDLNYQXSA-N 0 0 524.475 4.880 40 30 KJEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NS(=O)(=O)c2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000409191982 1066953957 /nfs/dbraw/zinc/95/39/57/1066953957.db2.gz RNWWTMXBWKTQQA-MFKUBSTISA-N 0 0 543.030 4.990 40 30 KJEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000409192484 1066335475 /nfs/dbraw/zinc/33/54/75/1066335475.db2.gz XUTBAUHSYUNDQB-ZMOGYAJESA-N 0 0 535.502 4.682 40 30 KJEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(Sc3n[nH]c(-c4ccccc4)n3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409192571 1066953795 /nfs/dbraw/zinc/95/37/95/1066953795.db2.gz YTQRUHJZKMIWNC-WSDLNYQXSA-N 0 0 506.460 4.794 40 30 KJEBRN CCOC(=O)c1cc(-c2ccc(C=NN=c3nc(N4CCCC4)[nH]c(N4CCCC4)n3)o2)ccc1Cl ZINC000409193113 1066953148 /nfs/dbraw/zinc/95/31/48/1066953148.db2.gz BYLAYLVBFFTXIR-JVWAILMASA-N 0 0 509.998 4.608 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(OC)c1O ZINC000409193484 1066953228 /nfs/dbraw/zinc/95/32/28/1066953228.db2.gz DRSDCBZEBHLKQR-WQRHYEAKSA-N 0 0 503.374 4.567 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409193603 1066953279 /nfs/dbraw/zinc/95/32/79/1066953279.db2.gz HNPGRPXQHQRGII-NDZAJKAJSA-N 0 0 554.611 4.969 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1OCC ZINC000409193616 1066953183 /nfs/dbraw/zinc/95/31/83/1066953183.db2.gz HYOIFKPJTZSLLH-XQNSMLJCSA-N 0 0 558.056 4.815 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409193853 1066952891 /nfs/dbraw/zinc/95/28/91/1066952891.db2.gz GATBMLUGKREWLP-RDRPBHBLSA-N 0 0 540.584 4.579 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCC#N ZINC000409193879 1066952772 /nfs/dbraw/zinc/95/27/72/1066952772.db2.gz GUDCGPMLHRIRRR-NVMNQCDNSA-N 0 0 536.791 4.688 40 30 KJEBRN FC(F)(F)c1ccccc1-c1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)o1 ZINC000409194444 1066952440 /nfs/dbraw/zinc/95/24/40/1066952440.db2.gz BZAPIHIUZVIGEM-MUFRIFMGSA-N 0 0 509.492 4.599 40 30 KJEBRN Cc1ccc(NC(=O)COC(=O)c2ccc(C=NNc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2)cc1 ZINC000409195190 1066951431 /nfs/dbraw/zinc/95/14/31/1066951431.db2.gz GHWLUBVOUZQLBV-UCMJSZAQSA-N 0 0 572.629 4.753 40 30 KJEBRN C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000409195775 1066336149 /nfs/dbraw/zinc/33/61/49/1066336149.db2.gz QIJNOHWEOGUGAD-GRSHGNNSSA-N 0 0 535.803 4.798 40 30 KJEBRN COCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C#N)cc3)c(OC)c2)C1=O ZINC000409195992 1066951071 /nfs/dbraw/zinc/95/10/71/1066951071.db2.gz MAAYKMUIRVTAQO-YBFXNURJSA-N 0 0 503.374 4.591 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc(OCC)c1OCC ZINC000409196119 1066950562 /nfs/dbraw/zinc/95/05/62/1066950562.db2.gz NIXJITAKGZMKDI-OEAKJJBVSA-N 0 0 524.595 4.659 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409197033 1066949696 /nfs/dbraw/zinc/94/96/96/1066949696.db2.gz UKHCWABLYRWXNO-UFFVCSGVSA-N 0 0 606.438 4.986 40 30 KJEBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)cc2)cc1 ZINC000409197211 1066949757 /nfs/dbraw/zinc/94/97/57/1066949757.db2.gz YPTVGOWKTPEIGY-OYKKKHCWSA-N 0 0 511.559 4.899 40 30 KJEBRN O=[N+]([O-])c1ccc(Oc2ccc(C=NNc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)cc2)nc1 ZINC000409198100 1066963479 /nfs/dbraw/zinc/96/34/79/1066963479.db2.gz XAJSAUKIUADLIC-QRQIAZFYSA-N 0 0 511.546 4.569 40 30 KJEBRN CCOc1cc(/C=N\N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409198309 1066963107 /nfs/dbraw/zinc/96/31/07/1066963107.db2.gz CFKHQQJQNARGLY-FSGOGVSDSA-N 0 0 561.647 4.817 40 30 KJEBRN Cc1ccc(NC(=O)COC(=O)c2ccc(C=NNc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)cc2)cc1 ZINC000409198355 1066963116 /nfs/dbraw/zinc/96/31/16/1066963116.db2.gz DNUSYLXAYSXDEH-RGXNXFOYSA-N 0 0 564.650 4.577 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1OCC ZINC000409198435 1066963228 /nfs/dbraw/zinc/96/32/28/1066963228.db2.gz AOZSZPXPPAOBDV-CIAFOILYSA-N 0 0 575.437 4.859 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O ZINC000409198725 1066962858 /nfs/dbraw/zinc/96/28/58/1066962858.db2.gz DNCVKXARYZIBJU-PXLXIMEGSA-N 0 0 558.454 4.526 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1ccccc1C#N ZINC000409198753 1066962798 /nfs/dbraw/zinc/96/27/98/1066962798.db2.gz DYABQZZYZNKAJJ-MZJWZYIUSA-N 0 0 571.611 4.982 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409199324 1066962481 /nfs/dbraw/zinc/96/24/81/1066962481.db2.gz BMMWSXITFOMNGV-SSDVNMTOSA-N 0 0 579.382 4.579 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(OCC)c1OCC ZINC000409199539 1066962063 /nfs/dbraw/zinc/96/20/63/1066962063.db2.gz OMGIPSOHIRSNBV-NCELDCMTSA-N 0 0 535.666 4.598 40 30 KJEBRN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409199580 1066337108 /nfs/dbraw/zinc/33/71/08/1066337108.db2.gz PEQQMGKAEYCWRK-MIXAMLLLSA-N 0 0 547.620 4.792 40 30 KJEBRN Cc1ccc(-c2ccc(/C=N/N(C)c3nc(N4CCCCC4)nc(N4CCCCC4)n3)o2)c([N+](=O)[O-])c1 ZINC000409199671 1066336739 /nfs/dbraw/zinc/33/67/39/1066336739.db2.gz IQTJDYIYVLKBPH-OVVQPSECSA-N 0 0 504.595 4.799 40 30 KJEBRN COc1cc(/C=N/n2cnc3ccccc3c2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409200558 1066961701 /nfs/dbraw/zinc/96/17/01/1066961701.db2.gz MPHQVCFBLUJRTI-UVHMKAGCSA-N 0 0 525.346 4.779 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000409201261 1066961665 /nfs/dbraw/zinc/96/16/65/1066961665.db2.gz OZYNOSIUFIUJAT-XMHGGMMESA-N 0 0 519.360 4.591 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409201430 1066961540 /nfs/dbraw/zinc/96/15/40/1066961540.db2.gz NCCJXBZLKLQOIH-MFKUBSTISA-N 0 0 529.568 4.982 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1ccccc1C#N ZINC000409201723 1066961307 /nfs/dbraw/zinc/96/13/07/1066961307.db2.gz XLJGKMRVKYUJOK-VUTHCHCSSA-N 0 0 582.682 4.921 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OCC ZINC000409201943 1066961215 /nfs/dbraw/zinc/96/12/15/1066961215.db2.gz RIMFCCYDRYQKDZ-HAVVHWLPSA-N 0 0 542.057 4.689 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409202583 1066960670 /nfs/dbraw/zinc/96/06/70/1066960670.db2.gz RSOKTWZDIRMCFL-ZVHZXABRSA-N 0 0 560.538 4.581 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409202619 1066960685 /nfs/dbraw/zinc/96/06/85/1066960685.db2.gz SFCCFSGGJPFQRV-FSJBWODESA-N 0 0 548.958 4.860 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409203268 1066960736 /nfs/dbraw/zinc/96/07/36/1066960736.db2.gz VCVCUWUFSNOVOT-LSHDLFTRSA-N 0 0 579.382 4.579 40 30 KJEBRN COc1ccc(/N=C/c2cc(I)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 ZINC000409203351 1066960914 /nfs/dbraw/zinc/96/09/14/1066960914.db2.gz WQCFKSMYORTEBV-OEAKJJBVSA-N 0 0 523.348 4.827 40 30 KJEBRN N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br ZINC000409203355 1066960824 /nfs/dbraw/zinc/96/08/24/1066960824.db2.gz VRDCZXUPFGWSOF-WSDLNYQXSA-N 0 0 549.356 4.570 40 30 KJEBRN CCOc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409204200 1066960043 /nfs/dbraw/zinc/96/00/43/1066960043.db2.gz DIHKOLOVTLQLDB-YKQZZPSBSA-N 0 0 555.599 4.968 40 30 KJEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3)S2)cc1 ZINC000409204503 1066337528 /nfs/dbraw/zinc/33/75/28/1066337528.db2.gz HJXXMVVVTYOVHJ-HZHRSRAPSA-N 0 0 501.564 4.691 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1ccccc1C#N ZINC000409204636 1066959596 /nfs/dbraw/zinc/95/95/96/1066959596.db2.gz CDHNHCLSXIIJRD-ZMFRSBBQSA-N 0 0 557.584 4.592 40 30 KJEBRN O=[N+]([O-])c1ccc(Oc2ccc(C=NNc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2)nc1 ZINC000409205139 1066959194 /nfs/dbraw/zinc/95/91/94/1066959194.db2.gz MMOGZOVYTJOVSS-RHANQZHGSA-N 0 0 519.525 4.744 40 30 KJEBRN COc1ccc(-n2c(C)cc(/C=N\N(C)c3nc(N4CCCCC4)nc(N4CCCCC4)n3)c2C)cc1 ZINC000409205306 1066958894 /nfs/dbraw/zinc/95/88/94/1066958894.db2.gz PKASJJYAOUOXDQ-BRPDVVIDSA-N 0 0 502.667 4.739 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1OCC ZINC000409205679 1066958515 /nfs/dbraw/zinc/95/85/15/1066958515.db2.gz DZUBDWAXDYHGRY-XQNSMLJCSA-N 0 0 602.507 4.924 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1ccccc1C#N ZINC000409205828 1066958347 /nfs/dbraw/zinc/95/83/47/1066958347.db2.gz KKRCISKUDAVWDS-QRQIAZFYSA-N 0 0 584.654 4.657 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc(OCC)c1OCC ZINC000409205932 1066206615 /nfs/dbraw/zinc/20/66/15/1066206615.db2.gz RJQVCKWZLSGDOT-XIEYBQDHSA-N 0 0 551.665 4.724 40 30 KJEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc(I)c1OCc1ccc(C)cc1 ZINC000409205937 1066958057 /nfs/dbraw/zinc/95/80/57/1066958057.db2.gz RKTINDVBCUUQIB-MNBJERMJSA-N 0 0 651.509 4.820 40 30 KJEBRN COc1cc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409206514 1066957665 /nfs/dbraw/zinc/95/76/65/1066957665.db2.gz WPGPJMZYMOTQEY-VUTHCHCSSA-N 0 0 546.632 4.794 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1I ZINC000409206663 1066957236 /nfs/dbraw/zinc/95/72/36/1066957236.db2.gz ZSPQHBVZUXFJSV-YBEGLDIGSA-N 0 0 620.275 4.864 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)cc(OC)c1O ZINC000409207038 1066336554 /nfs/dbraw/zinc/33/65/54/1066336554.db2.gz ZIBKZJQNNPPCOO-JAIQZWGSSA-N 0 0 530.986 4.634 40 30 KJEBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409207093 1066956916 /nfs/dbraw/zinc/95/69/16/1066956916.db2.gz OVFFZZCTLWJLKN-WSDLNYQXSA-N 0 0 565.367 4.843 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1OCC ZINC000409207252 1066956927 /nfs/dbraw/zinc/95/69/27/1066956927.db2.gz USFYVUDSWXGATQ-CIAFOILYSA-N 0 0 530.986 4.750 40 30 KJEBRN CCOc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409207326 1066964728 /nfs/dbraw/zinc/96/47/28/1066964728.db2.gz VGWLTHGXCDFZSV-RHANQZHGSA-N 0 0 541.572 4.578 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OCC ZINC000409207336 1066964677 /nfs/dbraw/zinc/96/46/77/1066964677.db2.gz SGGSKTBOEQUFPO-HAVVHWLPSA-N 0 0 586.508 4.798 40 30 KJEBRN COc1cc(/C=N/N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409207492 1066964753 /nfs/dbraw/zinc/96/47/53/1066964753.db2.gz VEQGGLKRFVQERK-TWKHWXDSSA-N 0 0 560.659 4.818 40 30 KJEBRN CCN1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000409207897 1066964248 /nfs/dbraw/zinc/96/42/48/1066964248.db2.gz CGXOSXNGSMGIBS-ZSBARMHISA-N 0 0 529.666 4.949 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409207994 1066964263 /nfs/dbraw/zinc/96/42/63/1066964263.db2.gz DQPPNEJCYHCIRH-FOKLQQMPSA-N 0 0 593.409 4.969 40 30 KJEBRN COCCN1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)SC1=Nc1ccc(OC)cc1 ZINC000409208268 1066964025 /nfs/dbraw/zinc/96/40/25/1066964025.db2.gz ABVPJVRMFRHZOC-HRCCQFLKSA-N 0 0 504.612 4.748 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409208293 1066963876 /nfs/dbraw/zinc/96/38/76/1066963876.db2.gz BXTHSRBLEGEEGY-MFKUBSTISA-N 0 0 574.565 4.972 40 30 KJEBRN COc1c(I)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1I ZINC000409208656 1066963950 /nfs/dbraw/zinc/96/39/50/1066963950.db2.gz DMMDWEWBMYMZOI-GUVYHVJLSA-N 0 0 570.234 4.994 40 30 KJEBRN CC(C)/N=C1\S/C(=C\c2cc(Br)cc(I)c2O)C(=O)N1C(C)C ZINC000409209927 1066966264 /nfs/dbraw/zinc/96/62/64/1066966264.db2.gz JUKNWRADAMMALL-WKOWUCLCSA-N 0 0 509.207 4.848 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409210921 1066966278 /nfs/dbraw/zinc/96/62/78/1066966278.db2.gz HMCDNHSAUFIGAD-FSJBWODESA-N 0 0 593.409 4.969 40 30 KJEBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409211516 1066965756 /nfs/dbraw/zinc/96/57/56/1066965756.db2.gz NXZPAOHLFFODFT-WSDLNYQXSA-N 0 0 517.586 4.577 40 30 KJEBRN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O ZINC000409211531 1066965868 /nfs/dbraw/zinc/96/58/68/1066965868.db2.gz JTFQVLIJHLFEAU-CVKSISIWSA-N 0 0 520.520 4.961 40 30 KJEBRN Cc1cc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409211854 1066965884 /nfs/dbraw/zinc/96/58/84/1066965884.db2.gz OWHUZPRRZNNGHV-FZFZTRJPSA-N 0 0 515.639 4.559 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC ZINC000409212149 1066965891 /nfs/dbraw/zinc/96/58/91/1066965891.db2.gz NJCYWGOVBACZPU-YJGHASPHSA-N 0 0 500.402 4.954 40 30 KJEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409212226 1066965839 /nfs/dbraw/zinc/96/58/39/1066965839.db2.gz OBPCCNRBOWRIDM-WNYPXRMOSA-N 0 0 543.693 4.815 40 30 KJEBRN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O ZINC000409213240 1066965876 /nfs/dbraw/zinc/96/58/76/1066965876.db2.gz RWLXCCKMBAITTM-WSDLNYQXSA-N 0 0 549.356 4.570 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC ZINC000409213625 1066337802 /nfs/dbraw/zinc/33/78/02/1066337802.db2.gz USNFUALYYPGTGP-HPJGCCTDSA-N 0 0 512.413 4.791 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC ZINC000409213679 1066965556 /nfs/dbraw/zinc/96/55/56/1066965556.db2.gz VIOWOTNPAVUMAI-DLIIZKKJSA-N 0 0 513.454 4.879 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409213985 1066965495 /nfs/dbraw/zinc/96/54/95/1066965495.db2.gz VUXAMCQTYCFRTJ-ZVHZXABRSA-N 0 0 533.531 4.812 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409214516 1066965426 /nfs/dbraw/zinc/96/54/26/1066965426.db2.gz YCOSELNSYVWFNY-MFKUBSTISA-N 0 0 574.565 4.972 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC ZINC000409215015 1066965088 /nfs/dbraw/zinc/96/50/88/1066965088.db2.gz ZTRPRXHIBMGCLL-DLIIZKKJSA-N 0 0 560.454 4.721 40 30 KJEBRN COC(=O)COc1c(Br)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br ZINC000409215206 1066965167 /nfs/dbraw/zinc/96/51/67/1066965167.db2.gz YMZLEIOUJCWNCJ-IZISCGFUSA-N 0 0 534.270 4.853 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409215257 1066965153 /nfs/dbraw/zinc/96/51/53/1066965153.db2.gz WEVIJOJCGBSPGG-ZVHZXABRSA-N 0 0 560.538 4.581 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409215281 1066965144 /nfs/dbraw/zinc/96/51/44/1066965144.db2.gz WTIMUGVVSXQAEE-BUVRLJJBSA-N 0 0 515.541 4.673 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1I ZINC000409215921 1066965072 /nfs/dbraw/zinc/96/50/72/1066965072.db2.gz CDKZZAZISSFHOI-CBYHCJJPSA-N 0 0 642.297 4.927 40 30 KJEBRN COC(=O)COc1c(I)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1I ZINC000409216015 1066965114 /nfs/dbraw/zinc/96/51/14/1066965114.db2.gz HGTLWRDERJQABJ-IZISCGFUSA-N 0 0 628.270 4.537 40 30 KJEBRN CC(C)/N=C1\S/C(=C/c2cc(I)cc(I)c2O)C(=O)N1C(C)C ZINC000409216575 1066964990 /nfs/dbraw/zinc/96/49/90/1066964990.db2.gz MJMOAQJBYMMCCR-GEHGQZCVSA-N 0 0 556.207 4.691 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409216734 1066964721 /nfs/dbraw/zinc/96/47/21/1066964721.db2.gz KYGJTFFKMHENRX-FSJBWODESA-N 0 0 640.409 4.811 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1I ZINC000409217125 1066964708 /nfs/dbraw/zinc/96/47/08/1066964708.db2.gz SBZHKJASLYJXHP-HDKKRFQTSA-N 0 0 594.256 4.997 40 30 KJEBRN Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000409217143 1066964630 /nfs/dbraw/zinc/96/46/30/1066964630.db2.gz SMUBAXYXIPEWDC-AFUMVMLFSA-N 0 0 507.525 4.540 40 30 KJEBRN CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCC(N)=O)c(Br)c2)C2=C1CCCC2=O ZINC000409217928 1066338054 /nfs/dbraw/zinc/33/80/54/1066338054.db2.gz FTVWTBPHVTUJEV-UHFFFAOYSA-N 0 0 552.263 4.509 40 30 KJEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(N)=O ZINC000409218385 1066972126 /nfs/dbraw/zinc/97/21/26/1066972126.db2.gz FBTURSHKWJRENT-UHFFFAOYSA-N 0 0 579.431 4.564 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC ZINC000409218910 1066972027 /nfs/dbraw/zinc/97/20/27/1066972027.db2.gz YFRQTFKIVPBDPL-SXWFRPBWSA-N 0 0 513.454 4.879 40 30 KJEBRN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(N)=O ZINC000409219760 1066338216 /nfs/dbraw/zinc/33/82/16/1066338216.db2.gz UQDKGVNYPHOKCW-UHFFFAOYSA-N 0 0 593.458 4.954 40 30 KJEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(N)=O ZINC000409219919 1066971259 /nfs/dbraw/zinc/97/12/59/1066971259.db2.gz RRMDAQHQOFTEGN-UHFFFAOYSA-N 0 0 532.431 4.722 40 30 KJEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(N)=O)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409220312 1066971069 /nfs/dbraw/zinc/97/10/69/1066971069.db2.gz WPRNVOVMLRNGTP-UHFFFAOYSA-N 0 0 515.050 4.918 40 30 KJEBRN CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409220655 1066971057 /nfs/dbraw/zinc/97/10/57/1066971057.db2.gz CUUCLHGRYMWBKN-VCHYOVAHSA-N 0 0 613.193 4.649 40 30 KJEBRN O=C(COc1ccc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1)N1CCOCC1 ZINC000409221560 1066970320 /nfs/dbraw/zinc/97/03/20/1066970320.db2.gz RZTLPILMUZNQFV-RWTYZJABSA-N 0 0 511.688 4.862 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)ccc1OCc1ccccc1C#N ZINC000409221569 1066970386 /nfs/dbraw/zinc/97/03/86/1066970386.db2.gz SCKHJYNIARDLCT-MFKUBSTISA-N 0 0 524.577 4.630 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)OC)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409221672 1066970303 /nfs/dbraw/zinc/97/03/03/1066970303.db2.gz UQAFHKGDBVRCFX-MJCMWSLQSA-N 0 0 570.380 4.615 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(Br)cc1OC ZINC000409222113 1066339315 /nfs/dbraw/zinc/33/93/15/1066339315.db2.gz BGBMLUBKLVGRFE-QGMBQPNBSA-N 0 0 553.793 4.937 40 30 KJEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(N)=O)c(Br)c1 ZINC000409222180 1066969713 /nfs/dbraw/zinc/96/97/13/1066969713.db2.gz CEKHCQDTTFFOEL-UHFFFAOYSA-N 0 0 502.405 4.713 40 30 KJEBRN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(N)=O ZINC000409222693 1066969893 /nfs/dbraw/zinc/96/98/93/1066969893.db2.gz DEYFPTCSWUTWTH-UHFFFAOYSA-N 0 0 515.050 4.918 40 30 KJEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCC(N)=O)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000409222918 1066339195 /nfs/dbraw/zinc/33/91/95/1066339195.db2.gz FMDPSHNDGVJEPE-UHFFFAOYSA-N 0 0 606.501 4.869 40 30 KJEBRN O=C(COc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)cc1)N1CCOCC1 ZINC000409223325 1066969006 /nfs/dbraw/zinc/96/90/06/1066969006.db2.gz YYDSRHVPSVEXNC-WNYPXRMOSA-N 0 0 527.646 4.771 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1I ZINC000409223387 1066207392 /nfs/dbraw/zinc/20/73/92/1066207392.db2.gz ZICLHEKPOOYLFW-RQZCQDPDSA-N 0 0 662.218 4.722 40 30 KJEBRN COC(=O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)o1 ZINC000409224175 1066968574 /nfs/dbraw/zinc/96/85/74/1066968574.db2.gz JKWADFWQMNMFOF-HRLVQISFSA-N 0 0 502.526 4.959 40 30 KJEBRN C#CCOc1c(I)cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1OC ZINC000409224176 1066968613 /nfs/dbraw/zinc/96/86/13/1066968613.db2.gz JLKKPIBVUMTSEB-YBFXNURJSA-N 0 0 612.239 4.994 40 30 KJEBRN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(N)=O ZINC000409224259 1066968665 /nfs/dbraw/zinc/96/86/65/1066968665.db2.gz KNTMEOBYACBRHX-UHFFFAOYSA-N 0 0 501.023 4.576 40 30 KJEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCC(N)=O ZINC000409224404 1066340047 /nfs/dbraw/zinc/34/00/47/1066340047.db2.gz JYZJJOCDFWJJQM-UHFFFAOYSA-N 0 0 502.405 4.713 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409224529 1066968478 /nfs/dbraw/zinc/96/84/78/1066968478.db2.gz MGTJQDCHSCFYFO-NVMNQCDNSA-N 0 0 553.793 4.937 40 30 KJEBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC#N ZINC000409225008 1066967928 /nfs/dbraw/zinc/96/79/28/1066967928.db2.gz ORTBWZNCJREVRM-NDENLUEZSA-N 0 0 501.358 4.669 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409225493 1066967597 /nfs/dbraw/zinc/96/75/97/1066967597.db2.gz OVZDBCFIMNOPDG-GIJQJNRQSA-N 0 0 600.793 4.779 40 30 KJEBRN C#CCOc1c(Br)cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1OCC ZINC000409225919 1066967755 /nfs/dbraw/zinc/96/77/55/1066967755.db2.gz SUFZJHBEKXZNPW-MOSHPQCFSA-N 0 0 500.370 4.779 40 30 KJEBRN C#CCOc1c(I)cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1I ZINC000409225985 1066967185 /nfs/dbraw/zinc/96/71/85/1066967185.db2.gz RBYWSHKGGUTHNK-WQRHYEAKSA-N 0 0 629.213 4.827 40 30 KJEBRN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(N)=O ZINC000409226040 1066967132 /nfs/dbraw/zinc/96/71/32/1066967132.db2.gz RLQHKTPZYQHJTH-UHFFFAOYSA-N 0 0 592.474 4.527 40 30 KJEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCC(N)=O)C2=C1CC(C)(C)CC2=O ZINC000409226057 1066967497 /nfs/dbraw/zinc/96/74/97/1066967497.db2.gz RPMRJBTZDIMIMH-UHFFFAOYSA-N 0 0 515.448 4.629 40 30 KJEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(N)=O ZINC000409226607 1066338555 /nfs/dbraw/zinc/33/85/55/1066338555.db2.gz VCVGHWADGUCPDY-UHFFFAOYSA-N 0 0 501.023 4.528 40 30 KJEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(N)=O)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000409226672 1066338702 /nfs/dbraw/zinc/33/87/02/1066338702.db2.gz QUPFSVYKMNDNOW-UHFFFAOYSA-N 0 0 515.448 4.629 40 30 KJEBRN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(N)=O ZINC000409226881 1066338504 /nfs/dbraw/zinc/33/85/04/1066338504.db2.gz XRHPZTBTFSCBBC-UHFFFAOYSA-N 0 0 545.474 4.685 40 30 KJEBRN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(N)=O ZINC000409227029 1066966651 /nfs/dbraw/zinc/96/66/51/1066966651.db2.gz XDYKKEGZJSBLDF-UHFFFAOYSA-N 0 0 606.501 4.869 40 30 KJEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(N)=O ZINC000409227775 1066973639 /nfs/dbraw/zinc/97/36/39/1066973639.db2.gz WQPFSQXZHIUHMS-UHFFFAOYSA-N 0 0 545.474 4.637 40 30 KJEBRN C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1I ZINC000409228079 1066973783 /nfs/dbraw/zinc/97/37/83/1066973783.db2.gz TWQTZEGPKQSUHC-WOJGMQOQSA-N 0 0 552.777 4.632 40 30 KJEBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409228335 1066973276 /nfs/dbraw/zinc/97/32/76/1066973276.db2.gz XLZSXGNXEBUJIZ-ZVHZXABRSA-N 0 0 606.420 4.836 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409228875 1066972855 /nfs/dbraw/zinc/97/28/55/1066972855.db2.gz GKRVSGXTCUEBSV-LFVJCYFKSA-N 0 0 527.577 4.543 40 30 KJEBRN COC(=O)COc1c(I)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000409228936 1066973369 /nfs/dbraw/zinc/97/33/69/1066973369.db2.gz HKQKXEDDNMANKJ-RQZCQDPDSA-N 0 0 572.808 4.705 40 30 KJEBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409229435 1066972948 /nfs/dbraw/zinc/97/29/48/1066972948.db2.gz OZCSROUOWXPPRK-ZMOGYAJESA-N 0 0 636.446 4.844 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1I ZINC000409229810 1066972462 /nfs/dbraw/zinc/97/24/62/1066972462.db2.gz VHGKKZAUAVFULG-XDHOZWIPSA-N 0 0 550.374 4.540 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409229858 1066972429 /nfs/dbraw/zinc/97/24/29/1066972429.db2.gz VNZXDFVSXDYPIC-BUVRLJJBSA-N 0 0 545.567 4.682 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OCC ZINC000409230205 1066978262 /nfs/dbraw/zinc/97/82/62/1066978262.db2.gz CJZAUZAKQQLERD-CIAFOILYSA-N 0 0 545.411 4.543 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1I ZINC000409230817 195505425 /nfs/dbraw/zinc/50/54/25/195505425.db2.gz FWMBJYYCTMLTBF-WOJGMQOQSA-N 0 0 600.194 4.862 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1I ZINC000409230941 1066977834 /nfs/dbraw/zinc/97/78/34/1066977834.db2.gz HCGWMBSKEYLANW-SGFRRPFJSA-N 0 0 554.381 4.996 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409231012 1066977679 /nfs/dbraw/zinc/97/76/79/1066977679.db2.gz ATOBBPZVTMEVSF-PCLIKHOPSA-N 0 0 586.601 4.841 40 30 KJEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(I)c1O ZINC000409231301 1066340586 /nfs/dbraw/zinc/34/05/86/1066340586.db2.gz JSOIJDMEVPPVEO-OVCLIPMQSA-N 0 0 500.745 4.859 40 30 KJEBRN CCN1C(=O)/C(=C\c2ccc(OCC(=O)OC)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409231667 1066977223 /nfs/dbraw/zinc/97/72/23/1066977223.db2.gz FGCPDCIGNKGMRS-DBPHPPTCSA-N 0 0 505.390 4.633 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S ZINC000409231836 1066977411 /nfs/dbraw/zinc/97/74/11/1066977411.db2.gz KYDIEHHYDPUSFI-PDGQHHTCSA-N 0 0 566.442 4.705 40 30 KJEBRN CCCN1C(=O)N/C(=C/c2cc(I)cc(I)c2OCc2ccccc2C#N)C1=O ZINC000409231913 1066977369 /nfs/dbraw/zinc/97/73/69/1066977369.db2.gz FWUUUXRAQDKSHU-GIJQJNRQSA-N 0 0 613.193 4.649 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1I ZINC000409232046 1066977400 /nfs/dbraw/zinc/97/74/00/1066977400.db2.gz NPFLJFUYMDDMKV-WOJGMQOQSA-N 0 0 600.194 4.862 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br ZINC000409232356 195509847 /nfs/dbraw/zinc/50/98/47/195509847.db2.gz QGIOCJWEFSDSNL-WOJGMQOQSA-N 0 0 504.178 4.625 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1I ZINC000409232357 195509762 /nfs/dbraw/zinc/50/97/62/195509762.db2.gz OFMFMGFLCNLYFJ-GZTJUZNOSA-N 0 0 586.167 4.554 40 30 KJEBRN COc1ccc(N=C2S/C(=C\c3ccc(N4CCOCC4)cc3OC)C(=O)N2Cc2ccco2)cc1 ZINC000409232688 1066977093 /nfs/dbraw/zinc/97/70/93/1066977093.db2.gz BHPUNBKMUPTRMK-IXQMQDOZSA-N 0 0 505.596 4.938 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)OC)cc2Br)S/C1=N/c1ccc(F)cc1 ZINC000409232754 1066977083 /nfs/dbraw/zinc/97/70/83/1066977083.db2.gz PKXKYTPWRKZEOQ-BPCDVYBOSA-N 0 0 523.380 4.773 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC ZINC000409232945 1066340385 /nfs/dbraw/zinc/34/03/85/1066340385.db2.gz TWGIAQYTBFXULP-XDHOZWIPSA-N 0 0 518.351 4.656 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409233683 1066976561 /nfs/dbraw/zinc/97/65/61/1066976561.db2.gz WAIFVRHSXYCHQU-YDZHTSKRSA-N 0 0 652.445 4.681 40 30 KJEBRN COC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000409233867 1066976690 /nfs/dbraw/zinc/97/66/90/1066976690.db2.gz IDZBWVYXEOQOGC-RQZCQDPDSA-N 0 0 525.808 4.863 40 30 KJEBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O ZINC000409233940 1066976602 /nfs/dbraw/zinc/97/66/02/1066976602.db2.gz USNQNHXGVFOGHC-ZVHZXABRSA-N 0 0 527.650 5.000 40 30 KJEBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O ZINC000409234251 1066976229 /nfs/dbraw/zinc/97/62/29/1066976229.db2.gz JPGMBYZEBQMWBG-CVKSISIWSA-N 0 0 503.562 4.655 40 30 KJEBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409234382 1066976188 /nfs/dbraw/zinc/97/61/88/1066976188.db2.gz ZRULSDSRTJHFIG-WSDLNYQXSA-N 0 0 551.386 4.984 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OCC ZINC000409234840 1066975918 /nfs/dbraw/zinc/97/59/18/1066975918.db2.gz NDOTVLGTGDGICL-KEBDBYFISA-N 0 0 533.375 4.674 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000409234854 1066340620 /nfs/dbraw/zinc/34/06/20/1066340620.db2.gz NIZOPFZMGPGIFE-DEDYPNTBSA-N 0 0 532.378 4.910 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br ZINC000409235418 1066975545 /nfs/dbraw/zinc/97/55/45/1066975545.db2.gz POKRVEQJGLZHST-WOJGMQOQSA-N 0 0 504.178 4.625 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000409235736 1066975408 /nfs/dbraw/zinc/97/54/08/1066975408.db2.gz DJDZAXOLSUAYOI-XXZJRBTDSA-N 0 0 504.992 4.923 40 30 KJEBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000409236314 1066975158 /nfs/dbraw/zinc/97/51/58/1066975158.db2.gz DRSUDQVTBHFKBC-ZVHZXABRSA-N 0 0 559.420 4.994 40 30 KJEBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409236380 1066975128 /nfs/dbraw/zinc/97/51/28/1066975128.db2.gz FQMRGBABYDDZNR-WSDLNYQXSA-N 0 0 734.288 4.886 40 30 KJEBRN C=CCOc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1OCC ZINC000409236682 1066974647 /nfs/dbraw/zinc/97/46/47/1066974647.db2.gz TUMOCOOACIFLOJ-UDWIEESQSA-N 0 0 528.403 4.506 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000409236716 1066974659 /nfs/dbraw/zinc/97/46/59/1066974659.db2.gz GTZFSPXOXPWQSP-WOJGMQOQSA-N 0 0 582.803 4.640 40 30 KJEBRN C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OCC ZINC000409236756 1066974566 /nfs/dbraw/zinc/97/45/66/1066974566.db2.gz HBNZJXCRJILVAX-XQNSMLJCSA-N 0 0 506.580 4.509 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000409237021 1066974112 /nfs/dbraw/zinc/97/41/12/1066974112.db2.gz UUYMUFSGKARJFA-WOJGMQOQSA-N 0 0 535.803 4.798 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)OC)cc2Br)S/C1=N/c1ccc(OC)cc1 ZINC000409237297 1066974165 /nfs/dbraw/zinc/97/41/65/1066974165.db2.gz HUIBTCJJICMQTF-VFOYPBJLSA-N 0 0 535.416 4.642 40 30 KJEBRN CCN1C(=O)/C(=C\c2ccc(OCC(=O)OC)c(I)c2)S/C1=N/c1ccc(F)cc1 ZINC000409237303 1066978100 /nfs/dbraw/zinc/97/81/00/1066978100.db2.gz HVCNHYYTSFLYCU-JTNUTMTLSA-N 0 0 540.354 4.606 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1I ZINC000409237375 1066984271 /nfs/dbraw/zinc/98/42/71/1066984271.db2.gz IIHKWQRVWXQDRX-VCHYOVAHSA-N 0 0 538.338 4.670 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409237872 1066984296 /nfs/dbraw/zinc/98/42/96/1066984296.db2.gz XQAHYTAEFYPLSN-FSJBWODESA-N 0 0 605.445 4.838 40 30 KJEBRN C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1Br ZINC000409238158 1066984021 /nfs/dbraw/zinc/98/40/21/1066984021.db2.gz CNZVCEOLYVHPCB-WOJGMQOQSA-N 0 0 505.777 4.790 40 30 KJEBRN C=CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OC ZINC000409238272 1066983807 /nfs/dbraw/zinc/98/38/07/1066983807.db2.gz WPTNYEIIRYUJPK-RGVLZGJSSA-N 0 0 533.400 4.706 40 30 KJEBRN COCCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409238570 1066983379 /nfs/dbraw/zinc/98/33/79/1066983379.db2.gz DZHGWEVXFXPDFC-UDWIEESQSA-N 0 0 564.401 4.823 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1Br ZINC000409239012 1066339769 /nfs/dbraw/zinc/33/97/69/1066339769.db2.gz YKBDJUVSZHHFCX-WOJGMQOQSA-N 0 0 580.254 4.907 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1OCC ZINC000409239249 1066982985 /nfs/dbraw/zinc/98/29/85/1066982985.db2.gz PAZUDCZZKARQBZ-DEDYPNTBSA-N 0 0 528.403 4.506 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1I ZINC000409239397 1066983184 /nfs/dbraw/zinc/98/31/84/1066983184.db2.gz MKEUORMTQFRPDW-XDHOZWIPSA-N 0 0 657.246 4.554 40 30 KJEBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C1=O ZINC000409239637 1066983125 /nfs/dbraw/zinc/98/31/25/1066983125.db2.gz HUDBNPYGVUIKRF-JVWAILMASA-N 0 0 517.589 4.964 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000409240091 1066982740 /nfs/dbraw/zinc/98/27/40/1066982740.db2.gz OIRKNOGFGCGRDX-YJECAWTJSA-N 0 0 548.402 4.944 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409240098 1066982778 /nfs/dbraw/zinc/98/27/78/1066982778.db2.gz OMBWQYUWWZIDIF-YDZHTSKRSA-N 0 0 605.445 4.838 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(I)c1OCC(=O)OC ZINC000409240172 1066982733 /nfs/dbraw/zinc/98/27/33/1066982733.db2.gz RSXHWMKSWLUBRB-XXZJRBTDSA-N 0 0 596.443 4.874 40 30 KJEBRN COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409240419 1066982286 /nfs/dbraw/zinc/98/22/86/1066982286.db2.gz PPSMNFGOOUQQPJ-UDWIEESQSA-N 0 0 517.401 4.981 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OCC ZINC000409240422 1066982232 /nfs/dbraw/zinc/98/22/32/1066982232.db2.gz PPWQUXQSLSXMRT-YBFXNURJSA-N 0 0 580.375 4.516 40 30 KJEBRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(I)c2)C1=O ZINC000409240960 1066981992 /nfs/dbraw/zinc/98/19/92/1066981992.db2.gz VTFXOSJXYRAEKS-UDWIEESQSA-N 0 0 534.375 4.815 40 30 KJEBRN CCOC(=O)COc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1I ZINC000409240994 1066341184 /nfs/dbraw/zinc/34/11/84/1066341184.db2.gz WAYNSFHWUXUBJJ-OYPKHVMMSA-N 0 0 566.417 4.866 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OC ZINC000409241147 1066981868 /nfs/dbraw/zinc/98/18/68/1066981868.db2.gz JBJRCUXWIFWNHH-UNOMPAQXSA-N 0 0 580.400 4.548 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCC ZINC000409241462 1066981506 /nfs/dbraw/zinc/98/15/06/1066981506.db2.gz XRAYNNYLDCWGMQ-XDHOZWIPSA-N 0 0 518.351 4.656 40 30 KJEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)c(C)n1-c1ccccn1 ZINC000409241529 1066982017 /nfs/dbraw/zinc/98/20/17/1066982017.db2.gz ODCXRXBCHOBRFW-GHBHLSEMSA-N 0 0 501.656 4.815 40 30 KJEBRN COC(=O)COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1I ZINC000409241965 1066981618 /nfs/dbraw/zinc/98/16/18/1066981618.db2.gz ZONGDSDODTZZEO-RQZCQDPDSA-N 0 0 542.782 4.696 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(Br)ccc2OCC(=O)OC)S/C1=N/c1ccc(OC)cc1 ZINC000409242582 1066981027 /nfs/dbraw/zinc/98/10/27/1066981027.db2.gz OWGWFGSBGUCUMD-DBPHPPTCSA-N 0 0 505.390 4.633 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OCC ZINC000409242712 1066981041 /nfs/dbraw/zinc/98/10/41/1066981041.db2.gz SPNHFPPWCYLOOC-DEDYPNTBSA-N 0 0 594.427 4.938 40 30 KJEBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000409242815 1066981095 /nfs/dbraw/zinc/98/10/95/1066981095.db2.gz VZBJYLKAQDFAGK-WYMPLXKRSA-N 0 0 517.538 4.960 40 30 KJEBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409242987 1066981002 /nfs/dbraw/zinc/98/10/02/1066981002.db2.gz XHHKMUIRLBYBER-YDZHTSKRSA-N 0 0 560.994 4.729 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409243054 1066980646 /nfs/dbraw/zinc/98/06/46/1066980646.db2.gz UZWQFGACLYTPIT-PCLIKHOPSA-N 0 0 541.604 4.851 40 30 KJEBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409243175 1066980691 /nfs/dbraw/zinc/98/06/91/1066980691.db2.gz ZNGLPTLCBAGYJK-ZVHZXABRSA-N 0 0 559.420 4.994 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/SC(=O)N(CCC)C2=O)cc1I ZINC000409243712 1066980244 /nfs/dbraw/zinc/98/02/44/1066980244.db2.gz ZSDMWEGARKZQPV-UKTHLTGXSA-N 0 0 555.175 4.907 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409244129 1066980339 /nfs/dbraw/zinc/98/03/39/1066980339.db2.gz YEAUMSQUGBDRRS-KOEQRZSOSA-N 0 0 541.604 4.933 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1I ZINC000409244406 1066979805 /nfs/dbraw/zinc/97/98/05/1066979805.db2.gz CDYYKMHAUXSVDP-GXDHUFHOSA-N 0 0 585.201 4.533 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)OC)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409244426 1066980001 /nfs/dbraw/zinc/98/00/01/1066980001.db2.gz CMQUWEHXDODFIA-VTNZUCANSA-N 0 0 535.416 4.642 40 30 KJEBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409244480 1066979981 /nfs/dbraw/zinc/97/99/81/1066979981.db2.gz DFTGISKTKIOAEF-ZMOGYAJESA-N 0 0 544.995 4.893 40 30 KJEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409244991 1066979845 /nfs/dbraw/zinc/97/98/45/1066979845.db2.gz LVMKXYODQXZHSJ-PCLIKHOPSA-N 0 0 586.601 4.841 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OC ZINC000409245339 1066979597 /nfs/dbraw/zinc/97/95/97/1066979597.db2.gz RCKCBARIAJFRMU-VCHYOVAHSA-N 0 0 521.364 4.837 40 30 KJEBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=Nc2ccccc2)cc1 ZINC000409245570 1066979583 /nfs/dbraw/zinc/97/95/83/1066979583.db2.gz VZEGEYATHQWGJI-BOJSJVFISA-N 0 0 543.645 4.737 40 30 KJEBRN COC(=O)COc1cc(Br)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000409245585 1066979307 /nfs/dbraw/zinc/97/93/07/1066979307.db2.gz WEBHDYAVYGLEOK-QGMBQPNBSA-N 0 0 525.808 4.863 40 30 KJEBRN C=CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OC ZINC000409245926 1066979096 /nfs/dbraw/zinc/97/90/96/1066979096.db2.gz AYQFSGDBMNYTAT-DJKKODMXSA-N 0 0 521.364 4.837 40 30 KJEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409246242 1066979110 /nfs/dbraw/zinc/97/91/10/1066979110.db2.gz GXDMKUCIFQXJDM-XXZJRBTDSA-N 0 0 504.992 4.923 40 30 KJEBRN O=C(COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1)N1CCOCC1 ZINC000409246243 1066978984 /nfs/dbraw/zinc/97/89/84/1066978984.db2.gz GXDPMNKJLXFXOU-ZSBARMHISA-N 0 0 513.619 4.728 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1Br ZINC000409246302 1066978925 /nfs/dbraw/zinc/97/89/25/1066978925.db2.gz APNDKDPPAUHNSY-XDHOZWIPSA-N 0 0 503.374 4.698 40 30 KJEBRN COCCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C1=O ZINC000409246465 1066978704 /nfs/dbraw/zinc/97/87/04/1066978704.db2.gz BQVOZELYYHQAHH-SRZZPIQSSA-N 0 0 517.401 4.981 40 30 KJEBRN C#CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1I ZINC000409246787 1066978644 /nfs/dbraw/zinc/97/86/44/1066978644.db2.gz DLLLDUUQCVZKRM-NFVLHAOASA-N 0 0 518.376 4.936 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OC ZINC000409246796 1066341108 /nfs/dbraw/zinc/34/11/08/1066341108.db2.gz DQBKDHGZQVCHHU-ZDLGFXPLSA-N 0 0 568.364 4.679 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409246807 1066978691 /nfs/dbraw/zinc/97/86/91/1066978691.db2.gz BKWSZDJLVHIYAW-YBEGLDIGSA-N 0 0 510.715 4.615 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1I ZINC000409246996 1066978282 /nfs/dbraw/zinc/97/82/82/1066978282.db2.gz ANPUDDBUMHOMRN-IUXPMGMMSA-N 0 0 680.208 4.861 40 30 KJEBRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000409247324 1066987405 /nfs/dbraw/zinc/98/74/05/1066987405.db2.gz MSVJUBDBEQWPKJ-VCHYOVAHSA-N 0 0 519.193 4.965 40 30 KJEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000409248529 1066986277 /nfs/dbraw/zinc/98/62/77/1066986277.db2.gz LASVXWHMWTYYBB-VXLYETTFSA-N 0 0 535.803 4.798 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1Br ZINC000409248832 1066986409 /nfs/dbraw/zinc/98/64/09/1066986409.db2.gz RKSIVJLWNUETQY-UNOMPAQXSA-N 0 0 563.246 4.870 40 30 KJEBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)C1=O ZINC000409248842 1066986371 /nfs/dbraw/zinc/98/63/71/1066986371.db2.gz ROESLJDBEOGLJE-WGOQTCKBSA-N 0 0 532.556 4.830 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(I)c(OC)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409248933 1066985886 /nfs/dbraw/zinc/98/58/86/1066985886.db2.gz LYALGAPIJATCBC-WNEPPRNQSA-N 0 0 524.380 4.941 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OC ZINC000409249179 1066986055 /nfs/dbraw/zinc/98/60/55/1066986055.db2.gz MTVWQBZTGDJWDB-XDHOZWIPSA-N 0 0 533.400 4.706 40 30 KJEBRN CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)OC)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409249471 1066985646 /nfs/dbraw/zinc/98/56/46/1066985646.db2.gz UGEYFLADELUMAL-MJCMWSLQSA-N 0 0 523.380 4.773 40 30 KJEBRN N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1I ZINC000409250077 1066985412 /nfs/dbraw/zinc/98/54/12/1066985412.db2.gz VZOXHVVBLYVLBK-LPYMAVHISA-N 0 0 535.341 4.835 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OCC ZINC000409251022 1066340284 /nfs/dbraw/zinc/34/02/84/1066340284.db2.gz ZLGPKYJWJOPMPB-YBFXNURJSA-N 0 0 533.375 4.674 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000409251785 1066992713 /nfs/dbraw/zinc/99/27/13/1066992713.db2.gz WEVMEZRWRHUXBS-XXZJRBTDSA-N 0 0 596.443 4.874 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000409253524 1066991092 /nfs/dbraw/zinc/99/10/92/1066991092.db2.gz ZIIILHOHUSZOTM-WQRHYEAKSA-N 0 0 584.432 4.844 40 30 KJEBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)C1=O ZINC000409254227 1066990736 /nfs/dbraw/zinc/99/07/36/1066990736.db2.gz WHLWVDPMZNJYJD-SSDVNMTOSA-N 0 0 734.288 4.886 40 30 KJEBRN C#CCOc1c(I)cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1I ZINC000409255394 1066987349 /nfs/dbraw/zinc/98/73/49/1066987349.db2.gz JZXPKQBAWXBAMO-ZDLGFXPLSA-N 0 0 674.210 4.735 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409259207 1067001523 /nfs/dbraw/zinc/00/15/23/1067001523.db2.gz XZHUOVFBMFZHSP-VXLYETTFSA-N 0 0 612.829 4.649 40 30 KJEBRN CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCC(N)=O)C2=C1CCCC2=O ZINC000409260384 1067000304 /nfs/dbraw/zinc/00/03/04/1067000304.db2.gz PPXAWRAMHZOMSR-UHFFFAOYSA-N 0 0 552.263 4.509 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1I ZINC000409264727 1066996282 /nfs/dbraw/zinc/99/62/82/1066996282.db2.gz PRSNUYVWNKGMKC-NDENLUEZSA-N 0 0 684.293 4.529 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1I ZINC000409265161 1066996050 /nfs/dbraw/zinc/99/60/50/1066996050.db2.gz QXIBXBNGELKSBL-WQRHYEAKSA-N 0 0 674.254 4.591 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000409267491 1067009883 /nfs/dbraw/zinc/00/98/83/1067009883.db2.gz VZXDOFWMXLWOEB-UNOMPAQXSA-N 0 0 519.442 4.862 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S ZINC000409268340 1067009103 /nfs/dbraw/zinc/00/91/03/1067009103.db2.gz ZCSBNMUUBCEAHJ-PDGQHHTCSA-N 0 0 519.442 4.862 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc(Br)cc1OC ZINC000409269586 1067007703 /nfs/dbraw/zinc/00/77/03/1067007703.db2.gz KLPZVUKVSBSEOF-LZYBPNLTSA-N 0 0 555.328 4.562 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1OC ZINC000409269829 1067007330 /nfs/dbraw/zinc/00/73/30/1067007330.db2.gz FHPLNWZBJOFODN-VXLYETTFSA-N 0 0 596.830 4.949 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(Br)cc1OC ZINC000409270158 1066346986 /nfs/dbraw/zinc/34/69/86/1066346986.db2.gz GDSRIQCBIPILPL-RGVLZGJSSA-N 0 0 529.412 4.762 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(Br)cc1OC ZINC000409270179 1067006638 /nfs/dbraw/zinc/00/66/38/1067006638.db2.gz GITYHBLDGYIEFV-RGVLZGJSSA-N 0 0 529.412 4.762 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccccc1C#N ZINC000409270620 1067006191 /nfs/dbraw/zinc/00/61/91/1067006191.db2.gz HSXBPFSULPFFGM-DICXZTSXSA-N 0 0 539.613 4.767 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1OC ZINC000409271064 1067005580 /nfs/dbraw/zinc/00/55/80/1067005580.db2.gz IQKUEHQECCBEAB-NDENLUEZSA-N 0 0 529.412 4.762 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2OC)C1=O ZINC000409271097 1067005519 /nfs/dbraw/zinc/00/55/19/1067005519.db2.gz JBRDQSHBONMGDR-XDHOZWIPSA-N 0 0 503.374 4.698 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1OCC ZINC000409271175 1067005378 /nfs/dbraw/zinc/00/53/78/1067005378.db2.gz JQJJKGUDJHCNCG-GRSHGNNSSA-N 0 0 551.365 4.813 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000409271407 1066347424 /nfs/dbraw/zinc/34/74/24/1066347424.db2.gz CMAPGSJXOBTEHM-FYJGNVAPSA-N 0 0 513.413 4.635 40 30 KJEBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409271644 1067004830 /nfs/dbraw/zinc/00/48/30/1067004830.db2.gz KWVYVHXFGMVLBN-QFEZKATASA-N 0 0 529.574 4.829 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000409272284 1067004039 /nfs/dbraw/zinc/00/40/39/1067004039.db2.gz FWNXIRDKROTRGD-GRSHGNNSSA-N 0 0 565.829 4.807 40 30 KJEBRN C#CCOc1c(Br)cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409272652 1067003203 /nfs/dbraw/zinc/00/32/03/1067003203.db2.gz NWEHQIMSGCOCOT-NDENLUEZSA-N 0 0 545.367 4.687 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1OCC ZINC000409272676 1066348240 /nfs/dbraw/zinc/34/82/40/1066348240.db2.gz OBNHSPIPISUHBQ-YVLHZVERSA-N 0 0 569.355 4.952 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1OCC ZINC000409273056 1067014059 /nfs/dbraw/zinc/01/40/59/1067014059.db2.gz PJQCTHVYKXUPGJ-HYARGMPZSA-N 0 0 513.015 4.925 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1OC ZINC000409273657 1067013549 /nfs/dbraw/zinc/01/35/49/1067013549.db2.gz KPWYCLANLNHGBE-UDWIEESQSA-N 0 0 576.412 4.604 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc(OC)c1OC ZINC000409273813 1067012952 /nfs/dbraw/zinc/01/29/52/1067012952.db2.gz LNDKEEMSWGRRKO-JAIQZWGSSA-N 0 0 502.976 4.769 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1OC ZINC000409273840 1067013238 /nfs/dbraw/zinc/01/32/38/1067013238.db2.gz LXHSBIASESDZHK-SXGWCWSVSA-N 0 0 555.328 4.562 40 30 KJEBRN CC(=O)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409273930 1067012900 /nfs/dbraw/zinc/01/29/00/1067012900.db2.gz AIGSZGWAYJJBEW-UHFFFAOYSA-N 0 0 521.755 4.826 40 30 KJEBRN NC(=O)COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1I ZINC000409273933 1066348563 /nfs/dbraw/zinc/34/85/63/1066348563.db2.gz AJCACIDMDWWTFX-UHFFFAOYSA-N 0 0 690.235 4.765 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409273992 1067012827 /nfs/dbraw/zinc/01/28/27/1067012827.db2.gz BEWCDYJBYVXFMD-UHFFFAOYSA-N 0 0 551.781 4.668 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OCC ZINC000409274027 1067012845 /nfs/dbraw/zinc/01/28/45/1067012845.db2.gz TYXPSMRPARLAMK-MOSHPQCFSA-N 0 0 545.411 4.543 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)Nc1cccc(F)c1 ZINC000409274110 1067012984 /nfs/dbraw/zinc/01/29/84/1067012984.db2.gz BJWKIILMMJTAQL-UHFFFAOYSA-N 0 0 569.387 4.523 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCC#N ZINC000409274125 1066348726 /nfs/dbraw/zinc/34/87/26/1066348726.db2.gz BOHYOILQHGWCRT-UHFFFAOYSA-N 0 0 503.784 4.903 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O ZINC000409274180 1066348674 /nfs/dbraw/zinc/34/86/74/1066348674.db2.gz NIICVAOPONFNNW-GIJQJNRQSA-N 0 0 509.328 4.967 40 30 KJEBRN NC(=O)COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409274243 1067012598 /nfs/dbraw/zinc/01/25/98/1067012598.db2.gz CGLZSXNFHPEYFM-UHFFFAOYSA-N 0 0 551.784 4.972 40 30 KJEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OCC ZINC000409274295 1066348599 /nfs/dbraw/zinc/34/85/99/1066348599.db2.gz ORWWTBOTPGNFKF-DEDYPNTBSA-N 0 0 502.976 4.987 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409274296 1067012628 /nfs/dbraw/zinc/01/26/28/1067012628.db2.gz CNTRUJCZTJMCBL-GFCCVEGCSA-N 0 0 596.232 4.776 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409274298 1067012587 /nfs/dbraw/zinc/01/25/87/1067012587.db2.gz CNTRUJCZTJMCBL-LBPRGKRZSA-N 0 0 596.232 4.776 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC(C)C)c(Cl)c1 ZINC000409274361 1067012612 /nfs/dbraw/zinc/01/26/12/1067012612.db2.gz CQQAAPQMKTXITM-UHFFFAOYSA-N 0 0 527.202 4.987 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409274475 1066348647 /nfs/dbraw/zinc/34/86/47/1066348647.db2.gz DLEXCLSKSCIGNO-UHFFFAOYSA-N 0 0 512.950 4.830 40 30 KJEBRN C=CCOc1ccc(Br)cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409274532 1067012248 /nfs/dbraw/zinc/01/22/48/1067012248.db2.gz PEDFWSWFNDRZAU-YBFXNURJSA-N 0 0 503.330 4.841 40 30 KJEBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1ccccc1C#N ZINC000409274575 1067012211 /nfs/dbraw/zinc/01/22/11/1067012211.db2.gz PSSGMPQEFXLAEF-MFKUBSTISA-N 0 0 519.623 4.831 40 30 KJEBRN C#CCOc1c(Br)cc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409274681 1066349155 /nfs/dbraw/zinc/34/91/55/1066349155.db2.gz FQLAFEGDUAYNKO-UHFFFAOYSA-N 0 0 509.585 4.778 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409274705 1066349089 /nfs/dbraw/zinc/34/90/89/1066349089.db2.gz FVSGHRQSBJQXHN-UHFFFAOYSA-N 0 0 553.059 4.616 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)Nc1cccc(F)c1 ZINC000409274707 1067011894 /nfs/dbraw/zinc/01/18/94/1067011894.db2.gz FWGGUWGNCPFFNU-UHFFFAOYSA-N 0 0 553.388 4.905 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc(OCC)c1OC ZINC000409274770 1067011906 /nfs/dbraw/zinc/01/19/06/1067011906.db2.gz XQQIYSOQUQIATM-WOJGMQOQSA-N 0 0 506.502 4.915 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409274927 1067011576 /nfs/dbraw/zinc/01/15/76/1067011576.db2.gz GVCVUBCZUNIYDW-GFCCVEGCSA-N 0 0 610.259 4.950 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409274930 1067011478 /nfs/dbraw/zinc/01/14/78/1067011478.db2.gz GVCVUBCZUNIYDW-LBPRGKRZSA-N 0 0 610.259 4.950 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1O ZINC000409275082 1067011563 /nfs/dbraw/zinc/01/15/63/1067011563.db2.gz HYHQCVGVPPJOSC-UHFFFAOYSA-N 0 0 556.198 4.874 40 30 KJEBRN C#CCOc1c(I)cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409275391 1067011309 /nfs/dbraw/zinc/01/13/09/1067011309.db2.gz JBJNFCZVKWCYJX-YBFXNURJSA-N 0 0 567.788 4.884 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1OC ZINC000409275404 1067011298 /nfs/dbraw/zinc/01/12/98/1067011298.db2.gz JEHBQVZDRSGEML-NDENLUEZSA-N 0 0 529.412 4.762 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1OCC ZINC000409275444 1066349066 /nfs/dbraw/zinc/34/90/66/1066349066.db2.gz UTJTWRXUVMVCSI-CIAFOILYSA-N 0 0 502.976 4.987 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc(Br)cc1OC ZINC000409275497 1066349511 /nfs/dbraw/zinc/34/95/11/1066349511.db2.gz VGVKQUZLQOGECB-DJKKODMXSA-N 0 0 565.829 4.807 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OCC ZINC000409275515 1066349543 /nfs/dbraw/zinc/34/95/43/1066349543.db2.gz JWTXUDXWBWZCIS-UHFFFAOYSA-N 0 0 516.392 4.505 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1OCC ZINC000409275542 1066349445 /nfs/dbraw/zinc/34/94/45/1066349445.db2.gz VPLKBZPCSWNVRR-CPNJWEJPSA-N 0 0 523.449 4.707 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1OC ZINC000409275555 1067011288 /nfs/dbraw/zinc/01/12/88/1067011288.db2.gz KBINBWANRLUSOU-NDENLUEZSA-N 0 0 529.412 4.762 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(Br)cc1OCC(N)=O ZINC000409275647 1067014881 /nfs/dbraw/zinc/01/48/81/1067014881.db2.gz KYIASFZOYXFYTF-UHFFFAOYSA-N 0 0 581.810 4.981 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl ZINC000409275656 1067014977 /nfs/dbraw/zinc/01/49/77/1067014977.db2.gz LBGYCIKMLQLEEU-UHFFFAOYSA-N 0 0 513.175 4.598 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1OC ZINC000409275834 1067010866 /nfs/dbraw/zinc/01/08/66/1067010866.db2.gz XHFSJFCCFLTTJE-UDWIEESQSA-N 0 0 576.412 4.604 40 30 KJEBRN Cc1ccc(NC(=O)COc2cc(N(C)C)ccc2C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 ZINC000409275867 1067010944 /nfs/dbraw/zinc/01/09/44/1067010944.db2.gz MFXXDBKUYRMDNW-UHFFFAOYSA-N 0 0 548.441 4.742 40 30 KJEBRN C#CCOc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409275895 1067010845 /nfs/dbraw/zinc/01/08/45/1067010845.db2.gz MQYQSUVUANJKEB-UHFFFAOYSA-N 0 0 548.191 4.847 40 30 KJEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(OCC)c1OCC ZINC000409275939 1066349463 /nfs/dbraw/zinc/34/94/63/1066349463.db2.gz NDMANZLFVWVHFQ-LFVJCYFKSA-N 0 0 506.624 4.834 40 30 KJEBRN O=C(COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1)N1CCOCC1 ZINC000409275989 1067010887 /nfs/dbraw/zinc/01/08/87/1067010887.db2.gz NQOCHBUNSWZEJR-UHFFFAOYSA-N 0 0 542.979 4.583 40 30 KJEBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000409276121 1067010630 /nfs/dbraw/zinc/01/06/30/1067010630.db2.gz YWGLZVRTPAPAGQ-MXAYSNPKSA-N 0 0 529.530 4.973 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br ZINC000409276139 1067010476 /nfs/dbraw/zinc/01/04/76/1067010476.db2.gz OBVZHCBXNSREDE-UHFFFAOYSA-N 0 0 551.235 4.653 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])cc21 ZINC000409276151 1066349638 /nfs/dbraw/zinc/34/96/38/1066349638.db2.gz OFBGYYGBUCLFPO-UHFFFAOYSA-N 0 0 500.467 4.626 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)Nc1cccc(F)c1 ZINC000409276308 1067014970 /nfs/dbraw/zinc/01/49/70/1067014970.db2.gz POIQJDFOSGLIKH-UHFFFAOYSA-N 0 0 509.335 4.506 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1OC ZINC000409276333 1066349419 /nfs/dbraw/zinc/34/94/19/1066349419.db2.gz PTPJEBDXKLOTMQ-UHFFFAOYSA-N 0 0 581.261 4.878 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)c1OC(C)C ZINC000409276335 1067014832 /nfs/dbraw/zinc/01/48/32/1067014832.db2.gz PVHIPLNVZDVOFN-UHFFFAOYSA-N 0 0 509.198 4.908 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2cccc(F)c2)c(OC)c1 ZINC000409276424 1066349625 /nfs/dbraw/zinc/34/96/25/1066349625.db2.gz QYQRJZLEGRUKCB-UHFFFAOYSA-N 0 0 583.414 4.777 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(Br)o1 ZINC000409276450 1067014573 /nfs/dbraw/zinc/01/45/73/1067014573.db2.gz RIEMWZUVHMSTCR-UHFFFAOYSA-N 0 0 503.976 4.722 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409276526 1067014945 /nfs/dbraw/zinc/01/49/45/1067014945.db2.gz SFOCESYSPVKCLD-INIZCTEOSA-N 0 0 572.530 4.558 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409276527 1067014849 /nfs/dbraw/zinc/01/48/49/1067014849.db2.gz SFOCESYSPVKCLD-MRXNPFEDSA-N 0 0 572.530 4.558 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2OCC(N)=O)cc1C(C)C ZINC000409276588 1067014619 /nfs/dbraw/zinc/01/46/19/1067014619.db2.gz TUUPEVFTYBFBOZ-UHFFFAOYSA-N 0 0 563.998 4.812 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1OC ZINC000409276600 1067014533 /nfs/dbraw/zinc/01/45/33/1067014533.db2.gz TYNWWHWSKQOCBS-UDWIEESQSA-N 0 0 576.412 4.604 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409276661 1067014609 /nfs/dbraw/zinc/01/46/09/1067014609.db2.gz UVQFHVLDFWSLCV-JTQLQIEISA-N 0 0 557.626 4.706 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409276662 1067014707 /nfs/dbraw/zinc/01/47/07/1067014707.db2.gz UVQFHVLDFWSLCV-SNVBAGLBSA-N 0 0 557.626 4.706 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409276669 1066349498 /nfs/dbraw/zinc/34/94/98/1066349498.db2.gz UXBQQJGRLXBNIZ-UHFFFAOYSA-N 0 0 552.341 4.999 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc(Br)cc1OC ZINC000409276732 1067014514 /nfs/dbraw/zinc/01/45/14/1067014514.db2.gz VQIHRJBHXQTFMN-RGVLZGJSSA-N 0 0 529.412 4.762 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCC(N)=O ZINC000409276746 1067014501 /nfs/dbraw/zinc/01/45/01/1067014501.db2.gz VUMLLWWQDLHDLC-UHFFFAOYSA-N 0 0 645.146 4.736 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1I ZINC000409276824 1067014520 /nfs/dbraw/zinc/01/45/20/1067014520.db2.gz WURGWLPKSOTXID-UHFFFAOYSA-N 0 0 598.235 4.711 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)c1OCC(=O)OC(C)C ZINC000409276842 1067014594 /nfs/dbraw/zinc/01/45/94/1067014594.db2.gz XAKUTQIMOZRIBM-UHFFFAOYSA-N 0 0 550.837 4.986 40 30 KJEBRN COc1cc(OC)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Br ZINC000409276901 1067014311 /nfs/dbraw/zinc/01/43/11/1067014311.db2.gz XUAFREWGTFFAER-UHFFFAOYSA-N 0 0 509.198 4.944 40 30 KJEBRN COC(=O)COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2c(cccc2OC)o1 ZINC000409276924 1067014365 /nfs/dbraw/zinc/01/43/65/1067014365.db2.gz YBNBXCGYOSPDSQ-UHFFFAOYSA-N 0 0 517.925 4.906 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409276928 1067014211 /nfs/dbraw/zinc/01/42/11/1067014211.db2.gz YCNRGACNJMPUDO-UHFFFAOYSA-N 0 0 509.335 4.506 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(Br)cc1OCC(N)=O ZINC000409276935 1067014190 /nfs/dbraw/zinc/01/41/90/1067014190.db2.gz YFIFUKKIWJZCGG-UHFFFAOYSA-N 0 0 591.418 4.726 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1OCC(=O)N1CCOCC1 ZINC000409276955 1067014221 /nfs/dbraw/zinc/01/42/21/1067014221.db2.gz ABEQLSSECHLXJH-UHFFFAOYSA-N 0 0 587.032 4.982 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccccc1 ZINC000409276971 1067014508 /nfs/dbraw/zinc/01/45/08/1067014508.db2.gz YNHIYVUMYQMCBZ-UHFFFAOYSA-N 0 0 523.343 4.845 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)c(Cl)c1OCC(N)=O ZINC000409276974 1067014682 /nfs/dbraw/zinc/01/46/82/1067014682.db2.gz AEOYQTINQFGIEW-UHFFFAOYSA-N 0 0 581.810 4.981 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(N)=O)c(I)c2)cc1C(C)C ZINC000409276990 1067014669 /nfs/dbraw/zinc/01/46/69/1067014669.db2.gz AGMJXZNRRNUWCI-UHFFFAOYSA-N 0 0 610.452 4.855 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409277047 1067013882 /nfs/dbraw/zinc/01/38/82/1067013882.db2.gz ATXRJUFWWAIOMM-GFCCVEGCSA-N 0 0 551.781 4.667 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409277048 1067014262 /nfs/dbraw/zinc/01/42/62/1067014262.db2.gz ATXRJUFWWAIOMM-LBPRGKRZSA-N 0 0 551.781 4.667 40 30 KJEBRN CCOC(=O)COc1c(Br)c(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409277062 1067014337 /nfs/dbraw/zinc/01/43/37/1067014337.db2.gz AXZTWQYUKDKZFT-UHFFFAOYSA-N 0 0 632.103 4.825 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1OCC(=O)OC(C)C ZINC000409277179 1066346073 /nfs/dbraw/zinc/34/60/73/1066346073.db2.gz ABKCQOBAKBOGSA-UHFFFAOYSA-N 0 0 530.419 4.894 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409277204 1066345970 /nfs/dbraw/zinc/34/59/70/1066345970.db2.gz AIBHQDNKFYSRAQ-UHFFFAOYSA-N 0 0 647.482 4.709 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409277307 1066346097 /nfs/dbraw/zinc/34/60/97/1066346097.db2.gz BOAWRGAEOOVGBW-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN O=C(Cn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc21)N1CCOCC1 ZINC000409277334 1066345821 /nfs/dbraw/zinc/34/58/21/1066345821.db2.gz AAMYDLAOAFKHKJ-UHFFFAOYSA-N 0 0 531.572 4.505 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OC(C)=O)c(Cl)c1Br ZINC000409277339 1066345837 /nfs/dbraw/zinc/34/58/37/1066345837.db2.gz BPZBSAMSUQMUDZ-UHFFFAOYSA-N 0 0 557.626 4.953 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(I)c1O[C@H](C)C(=O)OC ZINC000409277361 1066345760 /nfs/dbraw/zinc/34/57/60/1066345760.db2.gz AUGSOUMGZHICGJ-CYBMUJFWSA-N 0 0 628.261 4.547 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(I)c1O[C@@H](C)C(=O)OC ZINC000409277363 1067023064 /nfs/dbraw/zinc/02/30/64/1067023064.db2.gz AUGSOUMGZHICGJ-ZDUSSCGKSA-N 0 0 628.261 4.547 40 30 KJEBRN CCOC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2c(cccc2OC)o1 ZINC000409277364 1067023035 /nfs/dbraw/zinc/02/30/35/1067023035.db2.gz ASCGKUXETWEYLS-UHFFFAOYSA-N 0 0 542.504 4.551 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OCC ZINC000409277392 1066346622 /nfs/dbraw/zinc/34/66/22/1066346622.db2.gz BSJZUMQWKHMRHQ-AWEZNQCLSA-N 0 0 642.288 4.937 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OCC ZINC000409277395 1067023206 /nfs/dbraw/zinc/02/32/06/1067023206.db2.gz BSJZUMQWKHMRHQ-CQSZACIVSA-N 0 0 642.288 4.937 40 30 KJEBRN C=CCc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc(OC)c1OCC(=O)OC ZINC000409277490 1067023263 /nfs/dbraw/zinc/02/32/63/1067023263.db2.gz CAVKKMBDCWUYNJ-UHFFFAOYSA-N 0 0 523.545 4.981 40 30 KJEBRN COC(=O)COc1ccc2ccccc2c1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409277497 1067023249 /nfs/dbraw/zinc/02/32/49/1067023249.db2.gz AQAVAKLLHIMLCU-UHFFFAOYSA-N 0 0 508.372 4.870 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409277512 1067023090 /nfs/dbraw/zinc/02/30/90/1067023090.db2.gz CBZGOEYHPPFNTJ-UHFFFAOYSA-N 0 0 553.369 4.854 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 ZINC000409277519 1067023175 /nfs/dbraw/zinc/02/31/75/1067023175.db2.gz ASAYIGGHGZGZAW-UHFFFAOYSA-N 0 0 509.335 4.506 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409277545 1067023191 /nfs/dbraw/zinc/02/31/91/1067023191.db2.gz BAAJNXRHPDJVMG-KRWDZBQOSA-N 0 0 586.557 4.948 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409277546 1067023240 /nfs/dbraw/zinc/02/32/40/1067023240.db2.gz BAAJNXRHPDJVMG-QGZVFWFLSA-N 0 0 586.557 4.948 40 30 KJEBRN C#CCOc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409277554 1067023163 /nfs/dbraw/zinc/02/31/63/1067023163.db2.gz BCPZIMGRIKEIRH-UHFFFAOYSA-N 0 0 517.767 4.912 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409277560 1067023291 /nfs/dbraw/zinc/02/32/91/1067023291.db2.gz BCLRYFZVSWVWFR-UHFFFAOYSA-N 0 0 523.347 4.511 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409277660 1066346639 /nfs/dbraw/zinc/34/66/39/1066346639.db2.gz BQEYWCWKVLVFTI-UHFFFAOYSA-N 0 0 647.267 4.980 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1OC(C)=O ZINC000409277671 1067023135 /nfs/dbraw/zinc/02/31/35/1067023135.db2.gz CGTPREMSHOTDTJ-UHFFFAOYSA-N 0 0 537.208 4.861 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(I)c1OC(C)=O ZINC000409277713 1066346489 /nfs/dbraw/zinc/34/64/89/1066346489.db2.gz CJSKPZFPYHKVSD-UHFFFAOYSA-N 0 0 584.208 4.532 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409277766 1067022867 /nfs/dbraw/zinc/02/28/67/1067022867.db2.gz BYYXYKBNEYZFSZ-AWEZNQCLSA-N 0 0 545.390 4.577 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409277768 1067022824 /nfs/dbraw/zinc/02/28/24/1067022824.db2.gz BYYXYKBNEYZFSZ-CQSZACIVSA-N 0 0 545.390 4.577 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409277805 1067022693 /nfs/dbraw/zinc/02/26/93/1067022693.db2.gz CDJWYSSAOFTYFL-UHFFFAOYSA-N 0 0 565.808 4.842 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OC(C)=O ZINC000409277812 1066346604 /nfs/dbraw/zinc/34/66/04/1066346604.db2.gz CSTNATFHNVDCAN-UHFFFAOYSA-N 0 0 588.050 4.809 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409277836 1067022808 /nfs/dbraw/zinc/02/28/08/1067022808.db2.gz CVOKCVHHFAQQFQ-UHFFFAOYSA-N 0 0 570.787 4.929 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC#N ZINC000409277857 1067023218 /nfs/dbraw/zinc/02/32/18/1067023218.db2.gz CZANHWFDNAGYQC-UHFFFAOYSA-N 0 0 563.206 4.912 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)c1OC ZINC000409277858 1066346358 /nfs/dbraw/zinc/34/63/58/1066346358.db2.gz BIOLUZAHANXWPU-UHFFFAOYSA-N 0 0 509.198 4.773 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC#N ZINC000409277873 1066346320 /nfs/dbraw/zinc/34/63/20/1066346320.db2.gz DAWITJCYXADEPL-UHFFFAOYSA-N 0 0 528.363 4.548 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCC(N)=O)c(Cl)c3)cc21 ZINC000409277906 1067022721 /nfs/dbraw/zinc/02/27/21/1067022721.db2.gz BSQWKTLTSXWXJE-UHFFFAOYSA-N 0 0 537.359 4.871 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OC ZINC000409277932 1067022850 /nfs/dbraw/zinc/02/28/50/1067022850.db2.gz CFXDLUYKGNMBEY-UHFFFAOYSA-N 0 0 517.367 4.948 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409277978 1066345778 /nfs/dbraw/zinc/34/57/78/1066345778.db2.gz CLBJZNKMYDLMSJ-KRWDZBQOSA-N 0 0 522.558 4.574 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409277980 1067022884 /nfs/dbraw/zinc/02/28/84/1067022884.db2.gz CLBJZNKMYDLMSJ-QGZVFWFLSA-N 0 0 522.558 4.574 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1Cl ZINC000409277999 1067022835 /nfs/dbraw/zinc/02/28/35/1067022835.db2.gz CFRQZTAGKQLXTM-UHFFFAOYSA-N 0 0 517.925 4.906 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409278018 1067022784 /nfs/dbraw/zinc/02/27/84/1067022784.db2.gz CLRMKAMRHYTGNG-GFCCVEGCSA-N 0 0 551.781 4.667 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OC(C)=O)c(Br)c1 ZINC000409278019 1066349965 /nfs/dbraw/zinc/34/99/65/1066349965.db2.gz CQGGBFCJONNFAP-UHFFFAOYSA-N 0 0 527.600 4.945 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409278020 1067022757 /nfs/dbraw/zinc/02/27/57/1067022757.db2.gz CLRMKAMRHYTGNG-LBPRGKRZSA-N 0 0 551.781 4.667 40 30 KJEBRN C#CCOc1c(I)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409278027 1066350123 /nfs/dbraw/zinc/35/01/23/1066350123.db2.gz CMFZJHZGDPYRIP-UHFFFAOYSA-N 0 0 580.220 4.619 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OC(C)C ZINC000409278042 1067022661 /nfs/dbraw/zinc/02/26/61/1067022661.db2.gz CSMZCWSGXUWFSD-UHFFFAOYSA-N 0 0 556.198 4.750 40 30 KJEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409278046 1066350038 /nfs/dbraw/zinc/35/00/38/1066350038.db2.gz COFFVDZLXHFCPK-UHFFFAOYSA-N 0 0 523.343 4.845 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000409278069 1067022641 /nfs/dbraw/zinc/02/26/41/1067022641.db2.gz CVDDIRVYMVVBGT-UHFFFAOYSA-N 0 0 511.307 4.976 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2cccc(F)c2)c(OC)c1 ZINC000409278088 1066350169 /nfs/dbraw/zinc/35/01/69/1066350169.db2.gz CWARBZKYJISFQQ-UHFFFAOYSA-N 0 0 553.388 4.769 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC#N)c([N+](=O)[O-])c3)cc21 ZINC000409278097 1067022734 /nfs/dbraw/zinc/02/27/34/1067022734.db2.gz CWNJZWKUSAQRQJ-UHFFFAOYSA-N 0 0 525.477 4.520 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)N4CCOCC4)c(Cl)c3)cc21 ZINC000409278154 1067022900 /nfs/dbraw/zinc/02/29/00/1067022900.db2.gz DNSJEXLZUBNPPN-UHFFFAOYSA-N 0 0 573.005 4.592 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409278221 1067022474 /nfs/dbraw/zinc/02/24/74/1067022474.db2.gz DXSQONZZLGAMIC-UHFFFAOYSA-N 0 0 602.077 4.817 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)N3CCOCC3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409278241 1067022454 /nfs/dbraw/zinc/02/24/54/1067022454.db2.gz FCCPRCJMZZWEFK-UHFFFAOYSA-N 0 0 643.697 4.931 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc([N+](=O)[O-])c3OCC(=O)N3CCOCC3)cc21 ZINC000409278269 1067022491 /nfs/dbraw/zinc/02/24/91/1067022491.db2.gz CIVQDJPCBFQBRR-UHFFFAOYSA-N 0 0 662.453 4.609 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1OCC(=O)N1CCOCC1 ZINC000409278309 1067022684 /nfs/dbraw/zinc/02/26/84/1067022684.db2.gz CVDZMKBXXLQTJT-UHFFFAOYSA-N 0 0 701.210 4.936 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409278323 1067022767 /nfs/dbraw/zinc/02/27/67/1067022767.db2.gz CXXHCQCPLKDMKL-UHFFFAOYSA-N 0 0 524.331 4.708 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409278326 1067022707 /nfs/dbraw/zinc/02/27/07/1067022707.db2.gz DJNQJLNNKYYMBL-UHFFFAOYSA-N 0 0 536.386 4.903 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409278331 1067022672 /nfs/dbraw/zinc/02/26/72/1067022672.db2.gz CYXVAFQOOTVIAW-UHFFFAOYSA-N 0 0 636.341 4.563 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1OCC(N)=O ZINC000409278351 1066350065 /nfs/dbraw/zinc/35/00/65/1066350065.db2.gz DBFQZMZFIUGYNX-UHFFFAOYSA-N 0 0 600.695 4.843 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409278354 1067022265 /nfs/dbraw/zinc/02/22/65/1067022265.db2.gz DOIDGRZBYIRFST-UHFFFAOYSA-N 0 0 596.232 4.605 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409278355 1067022441 /nfs/dbraw/zinc/02/24/41/1067022441.db2.gz DBQRLWJSUOEODX-UHFFFAOYSA-N 0 0 552.341 4.999 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1OCC(N)=O ZINC000409278397 1067022362 /nfs/dbraw/zinc/02/23/62/1067022362.db2.gz DUQKTOLNRPZGIW-UHFFFAOYSA-N 0 0 561.392 4.717 40 30 KJEBRN CCOc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)ccc1OCC(N)=O ZINC000409278442 1067022348 /nfs/dbraw/zinc/02/23/48/1067022348.db2.gz FKEOATSESPAMRE-UHFFFAOYSA-N 0 0 528.609 4.649 40 30 KJEBRN COc1cc(N2CCCC2)c(OC)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409278469 1067022334 /nfs/dbraw/zinc/02/23/34/1067022334.db2.gz DFVPMDRPXUTJED-UHFFFAOYSA-N 0 0 513.436 4.956 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC#N)c(OC)c3)cc21 ZINC000409278516 1067022423 /nfs/dbraw/zinc/02/24/23/1067022423.db2.gz FUACBQLPMBCUTL-UHFFFAOYSA-N 0 0 510.506 4.620 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cn(CC(N)=O)c3ccccc23)cc1C(C)C ZINC000409278521 1067022291 /nfs/dbraw/zinc/02/22/91/1067022291.db2.gz DKZDPFNNFDKMML-UHFFFAOYSA-N 0 0 507.594 4.826 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409278540 1066349952 /nfs/dbraw/zinc/34/99/52/1066349952.db2.gz FYWYZIHPQIUJCA-UHFFFAOYSA-N 0 0 572.530 4.559 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCC(N)=O ZINC000409278583 1067022279 /nfs/dbraw/zinc/02/22/79/1067022279.db2.gz GDWAJVRVUFTAQL-UHFFFAOYSA-N 0 0 600.695 4.627 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc2c(c1)OCO2 ZINC000409278660 1067022105 /nfs/dbraw/zinc/02/21/05/1067022105.db2.gz DNRFBBRHCPOFHK-UHFFFAOYSA-N 0 0 537.326 4.566 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC000409278669 1067022054 /nfs/dbraw/zinc/02/20/54/1067022054.db2.gz DPXBZZPUUHLENU-UHFFFAOYSA-N 0 0 594.422 4.928 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCC(=O)N1CCOCC1 ZINC000409278688 1067021889 /nfs/dbraw/zinc/02/18/89/1067021889.db2.gz FKKNSRQATJJHJB-UHFFFAOYSA-N 0 0 645.432 4.973 40 30 KJEBRN CCOc1cc(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409278711 1067021873 /nfs/dbraw/zinc/02/18/73/1067021873.db2.gz FOAWCGIHJMQCRY-UHFFFAOYSA-N 0 0 509.198 4.910 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC)c(Br)c1 ZINC000409278739 1067022462 /nfs/dbraw/zinc/02/24/62/1067022462.db2.gz DZEFZTUTBPNXOV-UHFFFAOYSA-N 0 0 602.077 4.680 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 ZINC000409278745 1067022238 /nfs/dbraw/zinc/02/22/38/1067022238.db2.gz FSZMTTZUJHCNPI-UHFFFAOYSA-N 0 0 549.425 4.938 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC#N)c(I)c1 ZINC000409278768 1067022393 /nfs/dbraw/zinc/02/23/93/1067022393.db2.gz FXOSRTTWNSAMKZ-UHFFFAOYSA-N 0 0 565.209 4.846 40 30 KJEBRN NC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-] ZINC000409278777 1067022039 /nfs/dbraw/zinc/02/20/39/1067022039.db2.gz FYADYWAVAAUQJF-UHFFFAOYSA-N 0 0 552.330 4.771 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409278841 1067021815 /nfs/dbraw/zinc/02/18/15/1067021815.db2.gz FISGEDUUDOJMSU-UHFFFAOYSA-N 0 0 564.396 4.838 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc([N+](=O)[O-])c1OCC ZINC000409278935 1067021907 /nfs/dbraw/zinc/02/19/07/1067021907.db2.gz HDMGNXKQWWVGEB-UHFFFAOYSA-N 0 0 503.353 4.870 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(N)=O)c(Cl)c2)cc1C(C)C ZINC000409278982 1067022024 /nfs/dbraw/zinc/02/20/24/1067022024.db2.gz FZYGWGWEWHUFHY-UHFFFAOYSA-N 0 0 519.001 4.904 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cccc1OC ZINC000409278983 1067021845 /nfs/dbraw/zinc/02/18/45/1067021845.db2.gz HIBDIHAPRKKOCU-UHFFFAOYSA-N 0 0 529.593 4.947 40 30 KJEBRN COC(=O)COc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1I ZINC000409279063 1066350696 /nfs/dbraw/zinc/35/06/96/1066350696.db2.gz FSOZKOQKZKTVPY-UHFFFAOYSA-N 0 0 710.104 4.926 40 30 KJEBRN C=CCOc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409279126 1067021829 /nfs/dbraw/zinc/02/18/29/1067021829.db2.gz HPGSNEYPLVGZAG-UHFFFAOYSA-N 0 0 507.182 4.686 40 30 KJEBRN NC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br ZINC000409279153 1067022090 /nfs/dbraw/zinc/02/20/90/1067022090.db2.gz GNSKLKQSERUZDS-UHFFFAOYSA-N 0 0 517.811 4.606 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409279176 1067021940 /nfs/dbraw/zinc/02/19/40/1067021940.db2.gz GDRYVXDPTWISDQ-UHFFFAOYSA-N 0 0 538.314 4.745 40 30 KJEBRN COC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1OC ZINC000409279198 1067021959 /nfs/dbraw/zinc/02/19/59/1067021959.db2.gz GFKQONBGNZTNDQ-UHFFFAOYSA-N 0 0 528.403 4.649 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000409279340 1067021978 /nfs/dbraw/zinc/02/19/78/1067021978.db2.gz IIGBKOUIXLVNQY-UHFFFAOYSA-N 0 0 509.335 4.506 40 30 KJEBRN CC(=O)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409279393 1067021631 /nfs/dbraw/zinc/02/16/31/1067021631.db2.gz IOLVHZXNFFAXNW-UHFFFAOYSA-N 0 0 521.755 4.826 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I ZINC000409279433 1067021643 /nfs/dbraw/zinc/02/16/43/1067021643.db2.gz HNLDYSDBCFGLCR-INIZCTEOSA-N 0 0 559.404 4.871 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I ZINC000409279435 1067021516 /nfs/dbraw/zinc/02/15/16/1067021516.db2.gz HNLDYSDBCFGLCR-MRXNPFEDSA-N 0 0 559.404 4.871 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC ZINC000409279438 1066350560 /nfs/dbraw/zinc/35/05/60/1066350560.db2.gz IVRZTFQWADLVGW-CYBMUJFWSA-N 0 0 581.261 4.705 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC ZINC000409279440 1067021609 /nfs/dbraw/zinc/02/16/09/1067021609.db2.gz IVRZTFQWADLVGW-ZDUSSCGKSA-N 0 0 581.261 4.705 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC(C)C)c(OC)c1 ZINC000409279441 1067021425 /nfs/dbraw/zinc/02/14/25/1067021425.db2.gz HOYOESBGFQQYHP-UHFFFAOYSA-N 0 0 581.261 4.705 40 30 KJEBRN CCOc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409279464 1067022079 /nfs/dbraw/zinc/02/20/79/1067022079.db2.gz HQVDCKVDWOHCRP-UHFFFAOYSA-N 0 0 638.041 4.958 40 30 KJEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCC(N)=O)cc1 ZINC000409279500 1067022064 /nfs/dbraw/zinc/02/20/64/1067022064.db2.gz HBWDMQSKCHBBIV-UHFFFAOYSA-N 0 0 550.457 4.610 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409279543 1067021653 /nfs/dbraw/zinc/02/16/53/1067021653.db2.gz IYYLJRZSZBQRHY-UHFFFAOYSA-N 0 0 570.480 4.823 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc([N+](=O)[O-])c1OC(C)C ZINC000409279560 1067021451 /nfs/dbraw/zinc/02/14/51/1067021451.db2.gz HKMDPNKNBSJSCK-UHFFFAOYSA-N 0 0 503.353 4.698 40 30 KJEBRN CC(=O)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409279592 1067021691 /nfs/dbraw/zinc/02/16/91/1067021691.db2.gz JDYYINHRALIOOC-UHFFFAOYSA-N 0 0 507.728 4.652 40 30 KJEBRN CC(=O)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1I ZINC000409279631 1067021531 /nfs/dbraw/zinc/02/15/31/1067021531.db2.gz HZICVWOWBPGFPL-UHFFFAOYSA-N 0 0 554.182 4.695 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OCC(N)=O ZINC000409279671 1067021579 /nfs/dbraw/zinc/02/15/79/1067021579.db2.gz JKMUMYMGOWNGLV-UHFFFAOYSA-N 0 0 516.941 4.608 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)OC ZINC000409279739 1067021592 /nfs/dbraw/zinc/02/15/92/1067021592.db2.gz IQHYTBIYNTYSRN-UHFFFAOYSA-N 0 0 557.626 4.571 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(N)=O ZINC000409279777 1067021482 /nfs/dbraw/zinc/02/14/82/1067021482.db2.gz IBWQAWVBYHFFCU-UHFFFAOYSA-N 0 0 589.368 4.990 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OC ZINC000409279843 1067021132 /nfs/dbraw/zinc/02/11/32/1067021132.db2.gz IQOIIKPLVXPTHC-UHFFFAOYSA-N 0 0 503.353 4.654 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1OCC(N)=O ZINC000409279873 1067021184 /nfs/dbraw/zinc/02/11/84/1067021184.db2.gz ITLXOICJUYSLQQ-UHFFFAOYSA-N 0 0 608.392 4.559 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C(=O)OC)c2)c1C ZINC000409279928 1067021148 /nfs/dbraw/zinc/02/11/48/1067021148.db2.gz AFXZHRLUYIHZHT-UHFFFAOYSA-N 0 0 507.388 4.798 40 30 KJEBRN O=C(COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)N1CCOCC1 ZINC000409279942 1067021280 /nfs/dbraw/zinc/02/12/80/1067021280.db2.gz AGGGYTQUEBYZIS-UHFFFAOYSA-N 0 0 632.427 4.600 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(Oc2ccc([N+](=O)[O-])cn2)c(OC)c1 ZINC000409279945 1067021252 /nfs/dbraw/zinc/02/12/52/1067021252.db2.gz JCEHMNAYJJROTF-UHFFFAOYSA-N 0 0 554.357 4.716 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)N4CCOCC4)c(Br)c3)cc21 ZINC000409279966 1067021083 /nfs/dbraw/zinc/02/10/83/1067021083.db2.gz AHEAQTKIZCXQNN-UHFFFAOYSA-N 0 0 617.456 4.701 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409279972 1067021032 /nfs/dbraw/zinc/02/10/32/1067021032.db2.gz IXADGDLRPPMCQT-UHFFFAOYSA-N 0 0 552.341 4.999 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1OC ZINC000409280011 1067021225 /nfs/dbraw/zinc/02/12/25/1067021225.db2.gz JANLNFFNOPVHOA-UHFFFAOYSA-N 0 0 556.198 4.786 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)Nc2ccccc2C)c1 ZINC000409280019 1067021069 /nfs/dbraw/zinc/02/10/69/1067021069.db2.gz JBQRFZMNTZFNDE-UHFFFAOYSA-N 0 0 519.399 4.930 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Cl)c1OCC(=O)N1CCOCC1 ZINC000409280050 1067021207 /nfs/dbraw/zinc/02/12/07/1067021207.db2.gz JEZBZRXLKDMGPO-UHFFFAOYSA-N 0 0 656.759 4.827 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409280069 1067021024 /nfs/dbraw/zinc/02/10/24/1067021024.db2.gz JKEJWOIQARYEDL-CYBMUJFWSA-N 0 0 628.261 4.683 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409280073 1067021117 /nfs/dbraw/zinc/02/11/17/1067021117.db2.gz JKEJWOIQARYEDL-ZDUSSCGKSA-N 0 0 628.261 4.683 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409280091 1067020782 /nfs/dbraw/zinc/02/07/82/1067020782.db2.gz JLFTZOGSSWKLCJ-UHFFFAOYSA-N 0 0 600.981 4.864 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Cl)c1 ZINC000409280105 1067021265 /nfs/dbraw/zinc/02/12/65/1067021265.db2.gz JOGFZYZFQFVSLW-UHFFFAOYSA-N 0 0 526.218 4.510 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc([N+](=O)[O-])c3OCC(=O)OC(C)C)cc21 ZINC000409280113 1067021008 /nfs/dbraw/zinc/02/10/08/1067021008.db2.gz APUKXVXELJSWOD-UHFFFAOYSA-N 0 0 556.531 4.939 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1)N1CCOCC1 ZINC000409280140 1067021237 /nfs/dbraw/zinc/02/12/37/1067021237.db2.gz ASAMJRNLULBXIU-UHFFFAOYSA-N 0 0 542.979 4.583 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409280204 1067021050 /nfs/dbraw/zinc/02/10/50/1067021050.db2.gz AVBFZEKJGTYLQV-UHFFFAOYSA-N 0 0 643.697 4.931 40 30 KJEBRN COC(=O)Cn1c(C)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc21 ZINC000409280221 1067021100 /nfs/dbraw/zinc/02/11/00/1067021100.db2.gz JQYRJYUCOPQPCD-UHFFFAOYSA-N 0 0 509.404 4.775 40 30 KJEBRN Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc2n1CC(=O)N1CCOCC1 ZINC000409280236 1067020816 /nfs/dbraw/zinc/02/08/16/1067020816.db2.gz AXTBZXKDXPHALF-UHFFFAOYSA-N 0 0 545.599 4.814 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000409280237 1067020684 /nfs/dbraw/zinc/02/06/84/1067020684.db2.gz KMYOIPBUSMANFZ-UHFFFAOYSA-N 0 0 506.356 4.911 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OCC ZINC000409280241 1067020803 /nfs/dbraw/zinc/02/08/03/1067020803.db2.gz AYEQWHGHIRKVKM-UHFFFAOYSA-N 0 0 530.419 4.679 40 30 KJEBRN COc1ccc(-n2c(C)cc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)c2C)c([N+](=O)[O-])c1 ZINC000409280257 1067020734 /nfs/dbraw/zinc/02/07/34/1067020734.db2.gz BBHWXVFASHTGHO-UHFFFAOYSA-N 0 0 510.348 4.674 40 30 KJEBRN CC(=O)Oc1c(Br)cc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409280316 1066350706 /nfs/dbraw/zinc/35/07/06/1066350706.db2.gz KUHSXXWVWLHJBJ-UHFFFAOYSA-N 0 0 513.573 4.691 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409280334 1067020711 /nfs/dbraw/zinc/02/07/11/1067020711.db2.gz KXVLMVQQCLXSNF-GFCCVEGCSA-N 0 0 596.232 4.776 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409280335 1066350506 /nfs/dbraw/zinc/35/05/06/1066350506.db2.gz KXVLMVQQCLXSNF-LBPRGKRZSA-N 0 0 596.232 4.776 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OCC#N ZINC000409280389 1067020839 /nfs/dbraw/zinc/02/08/39/1067020839.db2.gz KAJZBPQMZJEINB-UHFFFAOYSA-N 0 0 523.427 4.784 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC#N ZINC000409280450 1066350441 /nfs/dbraw/zinc/35/04/41/1066350441.db2.gz LFFDADKFYBFBGT-UHFFFAOYSA-N 0 0 510.573 4.668 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000409280473 1067020656 /nfs/dbraw/zinc/02/06/56/1067020656.db2.gz BKIJGOIEAALTDB-UHFFFAOYSA-N 0 0 523.362 4.760 40 30 KJEBRN CCOc1cc(Br)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409280477 1067020757 /nfs/dbraw/zinc/02/07/57/1067020757.db2.gz LGYHODWSJMHWAZ-UHFFFAOYSA-N 0 0 509.198 4.773 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1OC ZINC000409280478 1067020866 /nfs/dbraw/zinc/02/08/66/1067020866.db2.gz KEOVIBSNIZWEQF-UHFFFAOYSA-N 0 0 589.430 4.882 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409280529 1066350577 /nfs/dbraw/zinc/35/05/77/1066350577.db2.gz LJULBZBQHDXWSS-UHFFFAOYSA-N 0 0 563.206 4.912 40 30 KJEBRN CC(C)OC(=O)COc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409280549 1067020876 /nfs/dbraw/zinc/02/08/76/1067020876.db2.gz KMYHTNAOBHUWHZ-UHFFFAOYSA-N 0 0 500.393 4.669 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409280578 1067020790 /nfs/dbraw/zinc/02/07/90/1067020790.db2.gz KIGCYOUNQCBPFL-CYBMUJFWSA-N 0 0 628.261 4.547 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409280581 1067020886 /nfs/dbraw/zinc/02/08/86/1067020886.db2.gz KIGCYOUNQCBPFL-ZDUSSCGKSA-N 0 0 628.261 4.547 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1OCC(N)=O ZINC000409280594 1067020770 /nfs/dbraw/zinc/02/07/70/1067020770.db2.gz LONTWYIJVUEBNU-UHFFFAOYSA-N 0 0 645.146 4.952 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000409280648 1067020698 /nfs/dbraw/zinc/02/06/98/1067020698.db2.gz LSYFINNCCLMUBD-UHFFFAOYSA-N 0 0 581.379 4.828 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C ZINC000409280678 1067020294 /nfs/dbraw/zinc/02/02/94/1067020294.db2.gz BWZRSBRUTAJAQW-UHFFFAOYSA-N 0 0 594.422 4.982 40 30 KJEBRN NC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] ZINC000409280777 1067020507 /nfs/dbraw/zinc/02/05/07/1067020507.db2.gz JVWFZWPEJLQRQL-UHFFFAOYSA-N 0 0 596.781 4.880 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)N3CCOCC3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409280780 1067020671 /nfs/dbraw/zinc/02/06/71/1067020671.db2.gz MCXIMKGXGLGYFH-UHFFFAOYSA-N 0 0 629.670 4.541 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(=O)OC(C)C)c2ccccc12 ZINC000409280786 1067020853 /nfs/dbraw/zinc/02/08/53/1067020853.db2.gz KYARWWYGVKLFGU-UHFFFAOYSA-N 0 0 509.404 4.818 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1Cl ZINC000409280906 1067020415 /nfs/dbraw/zinc/02/04/15/1067020415.db2.gz LANQBKZLBPNROC-CYBMUJFWSA-N 0 0 506.784 4.587 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1Cl ZINC000409280910 1067020375 /nfs/dbraw/zinc/02/03/75/1067020375.db2.gz LANQBKZLBPNROC-ZDUSSCGKSA-N 0 0 506.784 4.587 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409280912 1067020460 /nfs/dbraw/zinc/02/04/60/1067020460.db2.gz CECGKLSOIOGSOH-AWEZNQCLSA-N 0 0 545.390 4.577 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409280916 1067020491 /nfs/dbraw/zinc/02/04/91/1067020491.db2.gz CECGKLSOIOGSOH-CQSZACIVSA-N 0 0 545.390 4.577 40 30 KJEBRN COC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409280929 1067020538 /nfs/dbraw/zinc/02/05/38/1067020538.db2.gz LBPVQXODKUUGBT-GOSISDBHSA-N 0 0 510.550 4.698 40 30 KJEBRN COC(=O)[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409280936 1067020401 /nfs/dbraw/zinc/02/04/01/1067020401.db2.gz LBPVQXODKUUGBT-SFHVURJKSA-N 0 0 510.550 4.698 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(I)c1OC ZINC000409280948 1066350479 /nfs/dbraw/zinc/35/04/79/1066350479.db2.gz LLUBVQZHDQYLMA-UHFFFAOYSA-N 0 0 556.198 4.616 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OCC ZINC000409280974 1067020363 /nfs/dbraw/zinc/02/03/63/1067020363.db2.gz CHVVIGAEADSQAG-AWEZNQCLSA-N 0 0 550.837 4.986 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OCC ZINC000409280977 1067020267 /nfs/dbraw/zinc/02/02/67/1067020267.db2.gz CHVVIGAEADSQAG-CQSZACIVSA-N 0 0 550.837 4.986 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 ZINC000409281030 1067020475 /nfs/dbraw/zinc/02/04/75/1067020475.db2.gz LPVNBLCJLXSAIE-UHFFFAOYSA-N 0 0 541.333 4.985 40 30 KJEBRN NC(=O)COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1 ZINC000409281032 1067020346 /nfs/dbraw/zinc/02/03/46/1067020346.db2.gz LGIIZOCCVJKXLH-UHFFFAOYSA-N 0 0 551.784 4.972 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC#N ZINC000409281080 1066350612 /nfs/dbraw/zinc/35/06/12/1066350612.db2.gz LTLDQYZTDTYRRB-UHFFFAOYSA-N 0 0 524.600 4.922 40 30 KJEBRN CC(=O)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409281111 1067020445 /nfs/dbraw/zinc/02/04/45/1067020445.db2.gz LVHCEIDPVKXEFV-UHFFFAOYSA-N 0 0 507.728 4.652 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1O[C@H](C)CC ZINC000409281216 1067020518 /nfs/dbraw/zinc/02/05/18/1067020518.db2.gz MAMWBHILQNBKJL-CYBMUJFWSA-N 0 0 503.353 4.834 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1O[C@@H](C)CC ZINC000409281219 1067020335 /nfs/dbraw/zinc/02/03/35/1067020335.db2.gz MAMWBHILQNBKJL-ZDUSSCGKSA-N 0 0 503.353 4.834 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)Nc2cccc(F)c2)c1 ZINC000409281261 1066350680 /nfs/dbraw/zinc/35/06/80/1066350680.db2.gz KSOJEPVXRVNGHI-UHFFFAOYSA-N 0 0 509.335 4.506 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCC(N)=O ZINC000409281278 1067019959 /nfs/dbraw/zinc/01/99/59/1067019959.db2.gz NKJCLPVNBIYUFA-UHFFFAOYSA-N 0 0 581.810 4.981 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c3)cc21 ZINC000409281294 1067020000 /nfs/dbraw/zinc/02/00/00/1067020000.db2.gz CXBPWCXMJSROIJ-UHFFFAOYSA-N 0 0 556.531 4.939 40 30 KJEBRN C#CCOc1cc(Br)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409281354 1067019933 /nfs/dbraw/zinc/01/99/33/1067019933.db2.gz LHEHINTXISLGKE-UHFFFAOYSA-N 0 0 533.220 4.948 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)Nc2cccc(F)c2)c1 ZINC000409281390 1067020093 /nfs/dbraw/zinc/02/00/93/1067020093.db2.gz MDWIGPDMCAHWAA-UHFFFAOYSA-N 0 0 523.362 4.760 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OCC)c1OCC(=O)OC ZINC000409281411 1067020105 /nfs/dbraw/zinc/02/01/05/1067020105.db2.gz MGPRHNLAHXIQTH-UHFFFAOYSA-N 0 0 542.430 4.844 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)cc1OC ZINC000409281418 1067020050 /nfs/dbraw/zinc/02/00/50/1067020050.db2.gz DFPMJSPINNUFKQ-CYBMUJFWSA-N 0 0 536.810 4.767 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)cc1OC ZINC000409281420 1067020034 /nfs/dbraw/zinc/02/00/34/1067020034.db2.gz DFPMJSPINNUFKQ-ZDUSSCGKSA-N 0 0 536.810 4.767 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)Nc1cccc(F)c1 ZINC000409281437 1067020137 /nfs/dbraw/zinc/02/01/37/1067020137.db2.gz DIGNYWORUSPVJV-UHFFFAOYSA-N 0 0 553.388 4.769 40 30 KJEBRN Cc1ccccc1NC(=O)COc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cccc1[N+](=O)[O-] ZINC000409281456 1066350659 /nfs/dbraw/zinc/35/06/59/1066350659.db2.gz MLKOVNDNIKOIQW-UHFFFAOYSA-N 0 0 550.369 4.584 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409281468 1067020065 /nfs/dbraw/zinc/02/00/65/1067020065.db2.gz MNEDXPYNRTXTHL-UHFFFAOYSA-N 0 0 581.261 4.878 40 30 KJEBRN COC(=O)Cn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c2ccccc21 ZINC000409281470 1067019858 /nfs/dbraw/zinc/01/98/58/1067019858.db2.gz MNGMGEGMKHOBIK-UHFFFAOYSA-N 0 0 506.518 4.828 40 30 KJEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCC(=O)N1CCOCC1 ZINC000409281508 1067020120 /nfs/dbraw/zinc/02/01/20/1067020120.db2.gz MQXCRZXBRMPPLP-UHFFFAOYSA-N 0 0 573.005 4.592 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1OCC#N ZINC000409281565 1067020079 /nfs/dbraw/zinc/02/00/79/1067020079.db2.gz MVPXHLAWJKLECE-UHFFFAOYSA-N 0 0 539.504 4.910 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OCC(N)=O)cc1C(C)C ZINC000409281624 1066350520 /nfs/dbraw/zinc/35/05/20/1066350520.db2.gz NDCGUZXJCGNPLK-UHFFFAOYSA-N 0 0 543.580 4.549 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1F ZINC000409281714 1067019902 /nfs/dbraw/zinc/01/99/02/1067019902.db2.gz NXNCZKNPVPCBLZ-UHFFFAOYSA-N 0 0 568.359 4.668 40 30 KJEBRN C#CCOc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409281735 1066350729 /nfs/dbraw/zinc/35/07/29/1066350729.db2.gz NZUXBFCHLUJLDO-UHFFFAOYSA-N 0 0 580.220 4.790 40 30 KJEBRN CC(C)OC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000409281745 1067019975 /nfs/dbraw/zinc/01/99/75/1067019975.db2.gz OAVZKLASMNFIOR-UHFFFAOYSA-N 0 0 545.390 4.577 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(N)=O)c(OC)c2)cc1C(C)C ZINC000409281769 1067019916 /nfs/dbraw/zinc/01/99/16/1067019916.db2.gz LTDAUHLKIDYSAP-UHFFFAOYSA-N 0 0 558.635 4.658 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409281827 1067019874 /nfs/dbraw/zinc/01/98/74/1067019874.db2.gz ONURYAAVWWJENU-KRWDZBQOSA-N 0 0 556.531 4.939 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409281829 1067019888 /nfs/dbraw/zinc/01/98/88/1067019888.db2.gz ONURYAAVWWJENU-QGZVFWFLSA-N 0 0 556.531 4.939 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2)c(I)c1 ZINC000409281837 1067019945 /nfs/dbraw/zinc/01/99/45/1067019945.db2.gz OPKHASQHSAFJMQ-UHFFFAOYSA-N 0 0 617.241 4.972 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409281874 1067019576 /nfs/dbraw/zinc/01/95/76/1067019576.db2.gz NIDPHBRLRJJJMA-UHFFFAOYSA-N 0 0 626.733 4.818 40 30 KJEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] ZINC000409281878 1067019684 /nfs/dbraw/zinc/01/96/84/1067019684.db2.gz NICDNPQKNYJOOG-UHFFFAOYSA-N 0 0 607.373 4.923 40 30 KJEBRN CCOC(=O)COc1ccc(-n2c(C)cc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)c2C)cc1 ZINC000409281900 1067020019 /nfs/dbraw/zinc/02/00/19/1067020019.db2.gz NJNCORPBTUJGDX-UHFFFAOYSA-N 0 0 537.414 4.699 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccccc1F ZINC000409281994 1067019536 /nfs/dbraw/zinc/01/95/36/1067019536.db2.gz NSNSFQLAKLXLKP-UHFFFAOYSA-N 0 0 541.333 4.985 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409282079 1067019465 /nfs/dbraw/zinc/01/94/65/1067019465.db2.gz MMDXYQQGKWAXDT-INIZCTEOSA-N 0 0 543.462 4.735 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)Nc1ccccc1F ZINC000409282082 1067019636 /nfs/dbraw/zinc/01/96/36/1067019636.db2.gz NWEYYNAFKMGVSB-UHFFFAOYSA-N 0 0 569.387 4.523 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409282083 1067019506 /nfs/dbraw/zinc/01/95/06/1067019506.db2.gz MMDXYQQGKWAXDT-MRXNPFEDSA-N 0 0 543.462 4.735 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409282084 1067019492 /nfs/dbraw/zinc/01/94/92/1067019492.db2.gz OSPLABMHECLQCD-UHFFFAOYSA-N 0 0 535.398 4.766 40 30 KJEBRN CCOC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409282206 1067019613 /nfs/dbraw/zinc/01/96/13/1067019613.db2.gz GJIVKHRMZBUYHA-UHFFFAOYSA-N 0 0 540.454 4.815 40 30 KJEBRN CC(=O)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409282212 1067019649 /nfs/dbraw/zinc/01/96/49/1067019649.db2.gz OBVDAZFGIAAMPZ-UHFFFAOYSA-N 0 0 513.573 4.691 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCC(N)=O ZINC000409282250 1067019625 /nfs/dbraw/zinc/01/96/25/1067019625.db2.gz GLENWDLHHUSLNV-UHFFFAOYSA-N 0 0 575.341 4.600 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OC(C)=O)c([N+](=O)[O-])c3)cc21 ZINC000409282266 1067019666 /nfs/dbraw/zinc/01/96/66/1067019666.db2.gz PFNCSHKWROBNFG-UHFFFAOYSA-N 0 0 528.477 4.543 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409282280 1067019475 /nfs/dbraw/zinc/01/94/75/1067019475.db2.gz PHSWYFGDOVYIDR-UHFFFAOYSA-N 0 0 536.810 4.769 40 30 KJEBRN CC(=O)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I ZINC000409282287 1066350466 /nfs/dbraw/zinc/35/04/66/1066350466.db2.gz PIRYPRLKNFHLHW-UHFFFAOYSA-N 0 0 515.351 4.856 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000409282290 1067019561 /nfs/dbraw/zinc/01/95/61/1067019561.db2.gz PJGHBECSHQTAOZ-UHFFFAOYSA-N 0 0 557.401 4.939 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)N3CCOCC3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409282294 1066350490 /nfs/dbraw/zinc/35/04/90/1066350490.db2.gz PJVXWZPROANEOD-UHFFFAOYSA-N 0 0 599.644 4.532 40 30 KJEBRN O=C(COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409282333 1067019603 /nfs/dbraw/zinc/01/96/03/1067019603.db2.gz NGDWOAWETFUXBS-UHFFFAOYSA-N 0 0 660.403 4.873 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc([N+](=O)[O-])ccc3OCC(=O)OC(C)C)cc21 ZINC000409282340 1067019713 /nfs/dbraw/zinc/01/97/13/1067019713.db2.gz PRCFSRHANBKMLY-UHFFFAOYSA-N 0 0 556.531 4.939 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1OCC(=O)OCC ZINC000409282382 1066350722 /nfs/dbraw/zinc/35/07/22/1066350722.db2.gz GNXPNHOHHLIXKH-UHFFFAOYSA-N 0 0 542.430 4.844 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC000409282402 1066350589 /nfs/dbraw/zinc/35/05/89/1066350589.db2.gz GRDCGPQVXDUTQO-UHFFFAOYSA-N 0 0 611.537 4.704 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)Nc1ccccc1C ZINC000409282435 1067019243 /nfs/dbraw/zinc/01/92/43/1067019243.db2.gz OOKFBEPIMLQQQC-UHFFFAOYSA-N 0 0 519.399 4.930 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O ZINC000409282472 1067019074 /nfs/dbraw/zinc/01/90/74/1067019074.db2.gz OPYTWPKNMYSABM-UHFFFAOYSA-N 0 0 509.198 4.815 40 30 KJEBRN CC(=O)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409282486 1066351036 /nfs/dbraw/zinc/35/10/36/1066351036.db2.gz HDEJMXCEYKLELX-UHFFFAOYSA-N 0 0 566.206 4.935 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccccc2F)c([N+](=O)[O-])c1 ZINC000409282500 1067019277 /nfs/dbraw/zinc/01/92/77/1067019277.db2.gz HEKIYFJKBBMOOS-UHFFFAOYSA-N 0 0 598.385 4.677 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1OC ZINC000409282542 1067019232 /nfs/dbraw/zinc/01/92/32/1067019232.db2.gz PAJSCUUEEFBALO-UHFFFAOYSA-N 0 0 536.810 4.553 40 30 KJEBRN CCOc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409282588 1067019050 /nfs/dbraw/zinc/01/90/50/1067019050.db2.gz OYZNMTSMSMXTEV-UHFFFAOYSA-N 0 0 503.353 4.654 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC#N)c(Br)c1 ZINC000409282594 1067019218 /nfs/dbraw/zinc/01/92/18/1067019218.db2.gz PVYZPUHOZPDCTA-UHFFFAOYSA-N 0 0 504.182 4.829 40 30 KJEBRN C=CCc1cc(C=Nn2c(-c3cc4c(cccc4OC)o3)nc3ccccc3c2=O)cc(OCC)c1OCC(N)=O ZINC000409282651 1067019164 /nfs/dbraw/zinc/01/91/64/1067019164.db2.gz NNKQKGHQEZJPMR-UHFFFAOYSA-N 0 0 552.587 4.692 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OC)c1OCC(=O)OC(C)C ZINC000409282663 1066351189 /nfs/dbraw/zinc/35/11/89/1066351189.db2.gz PHPLTTIQHAENBQ-UHFFFAOYSA-N 0 0 507.587 4.674 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cccc1[N+](=O)[O-] ZINC000409282741 1067019268 /nfs/dbraw/zinc/01/92/68/1067019268.db2.gz NRDSASZFCRKSCD-UHFFFAOYSA-N 0 0 542.504 4.551 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)c(I)c1 ZINC000409282758 1066351175 /nfs/dbraw/zinc/35/11/75/1066351175.db2.gz QJKFKKZWPFGVON-UHFFFAOYSA-N 0 0 526.172 4.741 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409282777 1067019176 /nfs/dbraw/zinc/01/91/76/1067019176.db2.gz QLNLRCMDBNSXJG-UHFFFAOYSA-N 0 0 552.341 4.999 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(-c2ccc([N+](=O)[O-])cn2)c2ccccc12 ZINC000409282798 1067019100 /nfs/dbraw/zinc/01/91/00/1067019100.db2.gz QQTGMFCPWOWGQH-UHFFFAOYSA-N 0 0 503.316 4.597 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409282926 1066351053 /nfs/dbraw/zinc/35/10/53/1066351053.db2.gz PRZKMJJVLBPYGP-UHFFFAOYSA-N 0 0 523.362 4.760 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cccc1[N+](=O)[O-] ZINC000409282964 1066351079 /nfs/dbraw/zinc/35/10/79/1066351079.db2.gz PWSOPSHRQMAAKC-UHFFFAOYSA-N 0 0 544.564 4.846 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409282976 1067019205 /nfs/dbraw/zinc/01/92/05/1067019205.db2.gz PXLOFBVFTRXWBC-UHFFFAOYSA-N 0 0 610.259 4.951 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OC ZINC000409282978 1067019192 /nfs/dbraw/zinc/01/91/92/1067019192.db2.gz PTDQDFLQSCSFNR-UHFFFAOYSA-N 0 0 560.040 4.892 40 30 KJEBRN COC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409283014 1067019062 /nfs/dbraw/zinc/01/90/62/1067019062.db2.gz QCFAPKFIZWOZSH-UHFFFAOYSA-N 0 0 530.968 4.963 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1Br ZINC000409283089 1067019148 /nfs/dbraw/zinc/01/91/48/1067019148.db2.gz QXVYMUODYVZKQE-UHFFFAOYSA-N 0 0 571.653 4.961 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1OC ZINC000409283092 1066351196 /nfs/dbraw/zinc/35/11/96/1066351196.db2.gz IKPWDYNKDOWVEM-UHFFFAOYSA-N 0 0 581.261 4.662 40 30 KJEBRN CCOc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OC ZINC000409283137 1066351138 /nfs/dbraw/zinc/35/11/38/1066351138.db2.gz QEUUQBYBENPXSM-UHFFFAOYSA-N 0 0 556.198 4.616 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccccc2C)c(OC)c1 ZINC000409283151 1067019123 /nfs/dbraw/zinc/01/91/23/1067019123.db2.gz IOGHKPVFANEXBM-UHFFFAOYSA-N 0 0 579.451 4.947 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OC)c([N+](=O)[O-])c3)cc21 ZINC000409283183 1066351067 /nfs/dbraw/zinc/35/10/67/1066351067.db2.gz QILDLEOCASHSQR-UHFFFAOYSA-N 0 0 500.467 4.626 40 30 KJEBRN C=CCOc1ccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1I ZINC000409283218 1067018854 /nfs/dbraw/zinc/01/88/54/1067018854.db2.gz RJXONXLBXGFXLT-UHFFFAOYSA-N 0 0 538.183 4.773 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409283241 1066351130 /nfs/dbraw/zinc/35/11/30/1066351130.db2.gz RRBCPLGVRYHKQV-LLVKDONJSA-N 0 0 710.104 4.889 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409283243 1067018865 /nfs/dbraw/zinc/01/88/65/1067018865.db2.gz RRBCPLGVRYHKQV-NSHDSACASA-N 0 0 710.104 4.889 40 30 KJEBRN NC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Br)cc1[N+](=O)[O-] ZINC000409283245 1067018716 /nfs/dbraw/zinc/01/87/16/1067018716.db2.gz RREZECGOULNWJB-UHFFFAOYSA-N 0 0 641.232 4.989 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409283257 1066351150 /nfs/dbraw/zinc/35/11/50/1066351150.db2.gz RTMPNKLDOHCGGX-UHFFFAOYSA-N 0 0 525.483 4.915 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br)N1CCOCC1 ZINC000409283276 1067019305 /nfs/dbraw/zinc/01/93/05/1067019305.db2.gz RXYNXXMYQYVPNO-UHFFFAOYSA-N 0 0 615.406 4.965 40 30 KJEBRN C=CCc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc(OC)c1OCC(N)=O ZINC000409283279 1067019135 /nfs/dbraw/zinc/01/91/35/1067019135.db2.gz OWRLTIBUOHMLAP-UHFFFAOYSA-N 0 0 554.647 4.987 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(F)c1 ZINC000409283331 1067018781 /nfs/dbraw/zinc/01/87/81/1067018781.db2.gz QOGIRKQVNVJCCK-UHFFFAOYSA-N 0 0 568.359 4.668 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OC(C)=O ZINC000409283342 1067018734 /nfs/dbraw/zinc/01/87/34/1067018734.db2.gz PJBSCMQMDGJXHO-UHFFFAOYSA-N 0 0 527.600 4.945 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409283355 1067018762 /nfs/dbraw/zinc/01/87/62/1067018762.db2.gz QRMABUZSQYJNME-UHFFFAOYSA-N 0 0 536.585 4.964 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCC(=O)N1CCOCC1 ZINC000409283386 1067018823 /nfs/dbraw/zinc/01/88/23/1067018823.db2.gz PQPGPUHBCVJTLX-UHFFFAOYSA-N 0 0 617.456 4.701 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409283406 1067018701 /nfs/dbraw/zinc/01/87/01/1067018701.db2.gz RBNNFBLZGBPXBA-KRWDZBQOSA-N 0 0 586.557 4.948 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409283408 1067018775 /nfs/dbraw/zinc/01/87/75/1067018775.db2.gz RBNNFBLZGBPXBA-QGZVFWFLSA-N 0 0 586.557 4.948 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409283454 1067018747 /nfs/dbraw/zinc/01/87/47/1067018747.db2.gz JAEPUQOUKMSIJU-CYBMUJFWSA-N 0 0 581.261 4.876 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409283456 1067018882 /nfs/dbraw/zinc/01/88/82/1067018882.db2.gz JAEPUQOUKMSIJU-ZDUSSCGKSA-N 0 0 581.261 4.876 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1ccc2c(c1)OCO2 ZINC000409283583 1067018913 /nfs/dbraw/zinc/01/89/13/1067018913.db2.gz RAUFSOASNTVQRV-UHFFFAOYSA-N 0 0 506.356 4.911 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC#N ZINC000409283618 1066351112 /nfs/dbraw/zinc/35/11/12/1066351112.db2.gz JRTZIBXGOCBBEQ-UHFFFAOYSA-N 0 0 504.182 4.829 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)cc1OCC(=O)OC(C)C ZINC000409283624 1067018665 /nfs/dbraw/zinc/01/86/65/1067018665.db2.gz JSWRJZVQBZFSQU-UHFFFAOYSA-N 0 0 581.261 4.841 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCC#N ZINC000409283628 1067018840 /nfs/dbraw/zinc/01/88/40/1067018840.db2.gz JTICBLBMBFCOSL-UHFFFAOYSA-N 0 0 534.208 4.838 40 30 KJEBRN Cc1ccc(NC(=O)COc2cccc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)c2)cc1 ZINC000409283714 1067018898 /nfs/dbraw/zinc/01/88/98/1067018898.db2.gz SQZDQBXMMNPQHS-UHFFFAOYSA-N 0 0 505.372 4.676 40 30 KJEBRN COC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409283734 1067018795 /nfs/dbraw/zinc/01/87/95/1067018795.db2.gz PTBYQONQMXOJKV-UHFFFAOYSA-N 0 0 607.373 4.923 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2C)c([N+](=O)[O-])c1 ZINC000409283761 1067018493 /nfs/dbraw/zinc/01/84/93/1067018493.db2.gz PWHZNWAFXMHASA-UHFFFAOYSA-N 0 0 564.396 4.838 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(N)=O ZINC000409283777 1066351211 /nfs/dbraw/zinc/35/12/11/1066351211.db2.gz PYEJNOSLODEPGO-UHFFFAOYSA-N 0 0 575.341 4.600 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409283782 1067018416 /nfs/dbraw/zinc/01/84/16/1067018416.db2.gz PZDXONXIVLJXFM-UHFFFAOYSA-N 0 0 628.261 4.720 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409283789 1067018316 /nfs/dbraw/zinc/01/83/16/1067018316.db2.gz TWULOFCNQSHOJI-KRWDZBQOSA-N 0 0 522.558 4.574 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409283791 1067018453 /nfs/dbraw/zinc/01/84/53/1067018453.db2.gz TWULOFCNQSHOJI-QGZVFWFLSA-N 0 0 522.558 4.574 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)Nc1ccccc1F ZINC000409283823 1067018371 /nfs/dbraw/zinc/01/83/71/1067018371.db2.gz QHPMYQWSJFKUQP-UHFFFAOYSA-N 0 0 552.404 4.572 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OC)c(OC)c1 ZINC000409283896 1067018395 /nfs/dbraw/zinc/01/83/95/1067018395.db2.gz QOSMUFGZQKDXNV-UHFFFAOYSA-N 0 0 556.198 4.616 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I ZINC000409283989 1067018528 /nfs/dbraw/zinc/01/85/28/1067018528.db2.gz SOXNYHQCWVLDPZ-UHFFFAOYSA-N 0 0 559.404 4.873 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409284033 1067018329 /nfs/dbraw/zinc/01/83/29/1067018329.db2.gz KKHILHVELUWZCO-UHFFFAOYSA-N 0 0 535.398 4.684 40 30 KJEBRN C#CCOc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1OC ZINC000409284128 1067018543 /nfs/dbraw/zinc/01/85/43/1067018543.db2.gz SNROXHQKRMTAKP-UHFFFAOYSA-N 0 0 509.518 4.730 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409284129 1067018360 /nfs/dbraw/zinc/01/83/60/1067018360.db2.gz KYJOXEIBMRODGP-UHFFFAOYSA-N 0 0 518.755 4.803 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409284138 1067018482 /nfs/dbraw/zinc/01/84/82/1067018482.db2.gz SPTBHHIPGJOPKG-JTQLQIEISA-N 0 0 602.077 4.815 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409284140 1067018386 /nfs/dbraw/zinc/01/83/86/1067018386.db2.gz SPTBHHIPGJOPKG-SNVBAGLBSA-N 0 0 602.077 4.815 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c(Br)cc1OC(C)=O ZINC000409284143 1067018296 /nfs/dbraw/zinc/01/82/96/1067018296.db2.gz SPZOONQTBOVDCE-UHFFFAOYSA-N 0 0 537.208 4.690 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)c(Br)c1OCC(N)=O ZINC000409284181 1067018282 /nfs/dbraw/zinc/01/82/82/1067018282.db2.gz UDVBEDVHEUMRFF-UHFFFAOYSA-N 0 0 631.119 4.562 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCC(N)=O ZINC000409284325 1067018108 /nfs/dbraw/zinc/01/81/08/1067018108.db2.gz QYVJEKBMWCNDFR-UHFFFAOYSA-N 0 0 537.359 4.871 40 30 KJEBRN CCOC(=O)COc1c(OCC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409284338 1067018020 /nfs/dbraw/zinc/01/80/20/1067018020.db2.gz RAGJLZAYFWIOKW-UHFFFAOYSA-N 0 0 586.557 4.949 40 30 KJEBRN COC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1OC ZINC000409284353 1067017934 /nfs/dbraw/zinc/01/79/34/1067017934.db2.gz RBDMVPLQYIKPCK-UHFFFAOYSA-N 0 0 517.925 4.906 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409284540 1067018140 /nfs/dbraw/zinc/01/81/40/1067018140.db2.gz USZAKFJRWRCLGU-UHFFFAOYSA-N 0 0 557.626 4.707 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1Cl ZINC000409284553 1067018125 /nfs/dbraw/zinc/01/81/25/1067018125.db2.gz ROAFPHPEJKNKKB-UHFFFAOYSA-N 0 0 527.202 4.852 40 30 KJEBRN C#CCOc1c(Br)cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409284562 1067018004 /nfs/dbraw/zinc/01/80/04/1067018004.db2.gz ROQGNHIEDOSKDU-UHFFFAOYSA-N 0 0 533.220 4.777 40 30 KJEBRN Cc1ccccc1NC(=O)COc1ccccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409284566 1067018095 /nfs/dbraw/zinc/01/80/95/1067018095.db2.gz ROSAODSNIALXKW-UHFFFAOYSA-N 0 0 505.372 4.676 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc2c(c1)OCO2 ZINC000409284577 1066351240 /nfs/dbraw/zinc/35/12/40/1066351240.db2.gz RPCTVWXGGLYDGD-UHFFFAOYSA-N 0 0 551.353 4.820 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000409284591 1067018052 /nfs/dbraw/zinc/01/80/52/1067018052.db2.gz UCORSMGPZQDXNU-UHFFFAOYSA-N 0 0 524.375 4.928 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1CC ZINC000409284603 1067017893 /nfs/dbraw/zinc/01/78/93/1067017893.db2.gz VBFDTNYIMKXRDL-UHFFFAOYSA-N 0 0 571.653 4.961 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC(C)C)c(OC)c1 ZINC000409284629 1067017973 /nfs/dbraw/zinc/01/79/73/1067017973.db2.gz UDWARSCUCMJWGH-UHFFFAOYSA-N 0 0 642.288 4.937 40 30 KJEBRN COC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1 ZINC000409284658 1067017880 /nfs/dbraw/zinc/01/78/80/1067017880.db2.gz VDRBAJWAKNLVSM-UHFFFAOYSA-N 0 0 577.347 4.914 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc([N+](=O)[O-])c2OCC(N)=O)cc1C(C)C ZINC000409284673 1067017862 /nfs/dbraw/zinc/01/78/62/1067017862.db2.gz UHKQDAABNFPNGW-UHFFFAOYSA-N 0 0 608.449 4.921 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409284735 1067017950 /nfs/dbraw/zinc/01/79/50/1067017950.db2.gz VSHIDUJJTWIKDB-UHFFFAOYSA-N 0 0 511.456 4.525 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OC ZINC000409284795 1067018066 /nfs/dbraw/zinc/01/80/66/1067018066.db2.gz RRYIAMSQCSZCLZ-UHFFFAOYSA-N 0 0 570.225 4.961 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409284885 1067017913 /nfs/dbraw/zinc/01/79/13/1067017913.db2.gz SBMPPQASKUSMEU-UHFFFAOYSA-N 0 0 640.760 4.992 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@H](C)C(=O)OC)cc2)c1C ZINC000409284890 1067018083 /nfs/dbraw/zinc/01/80/83/1067018083.db2.gz MHMISHLWSWRSOL-GOSISDBHSA-N 0 0 551.441 4.951 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@@H](C)C(=O)OC)cc2)c1C ZINC000409284891 1067017920 /nfs/dbraw/zinc/01/79/20/1067017920.db2.gz MHMISHLWSWRSOL-SFHVURJKSA-N 0 0 551.441 4.951 40 30 KJEBRN COC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409284899 1067017990 /nfs/dbraw/zinc/01/79/90/1067017990.db2.gz SDDXASJJQOWMDU-UHFFFAOYSA-N 0 0 562.922 4.814 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC000409284914 1066351124 /nfs/dbraw/zinc/35/11/24/1066351124.db2.gz MIZOBWBZLRGPHA-CYBMUJFWSA-N 0 0 612.262 4.884 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC000409284917 1067017712 /nfs/dbraw/zinc/01/77/12/1067017712.db2.gz MIZOBWBZLRGPHA-ZDUSSCGKSA-N 0 0 612.262 4.884 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1C=Nn1c(CC)nc2ccc(Br)cc2c1=O ZINC000409284960 1067018037 /nfs/dbraw/zinc/01/80/37/1067018037.db2.gz VALIXNNQZPRJBQ-CYBMUJFWSA-N 0 0 551.235 4.697 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(Br)cc1C=Nn1c(CC)nc2ccc(Br)cc2c1=O ZINC000409284963 1067017961 /nfs/dbraw/zinc/01/79/61/1067017961.db2.gz VALIXNNQZPRJBQ-ZDUSSCGKSA-N 0 0 551.235 4.697 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409285081 1067017593 /nfs/dbraw/zinc/01/75/93/1067017593.db2.gz SQPHHKQPHDSDAK-UHFFFAOYSA-N 0 0 578.625 4.667 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)cc1OC ZINC000409285094 1066351025 /nfs/dbraw/zinc/35/10/25/1066351025.db2.gz SRJGUQXKUNADHK-CYBMUJFWSA-N 0 0 536.810 4.596 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)cc1OC ZINC000409285098 1067017566 /nfs/dbraw/zinc/01/75/66/1067017566.db2.gz SRJGUQXKUNADHK-ZDUSSCGKSA-N 0 0 536.810 4.596 40 30 KJEBRN CCOC(=O)COc1ccc(-n2c(C)cc(C=Nn3c(=O)c4cc(Br)ccc4nc3CC)c2C)cc1 ZINC000409285105 1067017480 /nfs/dbraw/zinc/01/74/80/1067017480.db2.gz MUMKQGNHHXZBPL-UHFFFAOYSA-N 0 0 551.441 4.953 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC(C)C)c(OC)c1 ZINC000409285107 1066351098 /nfs/dbraw/zinc/35/10/98/1066351098.db2.gz VJROLJZHJYNSFB-UHFFFAOYSA-N 0 0 536.810 4.596 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OC(C)=O)cc2)c1C ZINC000409285118 1066351164 /nfs/dbraw/zinc/35/11/64/1066351164.db2.gz VKYKVJGOVCXXTP-UHFFFAOYSA-N 0 0 507.388 4.936 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl ZINC000409285144 1066351552 /nfs/dbraw/zinc/35/15/52/1066351552.db2.gz VLWOTBQOCPHUQZ-LLVKDONJSA-N 0 0 527.202 4.987 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl ZINC000409285148 1067017672 /nfs/dbraw/zinc/01/76/72/1067017672.db2.gz VLWOTBQOCPHUQZ-NSHDSACASA-N 0 0 527.202 4.987 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409285154 1067017465 /nfs/dbraw/zinc/01/74/65/1067017465.db2.gz MXXFLTUFFZIIIJ-UHFFFAOYSA-N 0 0 606.389 4.625 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Cl ZINC000409285198 1067017527 /nfs/dbraw/zinc/01/75/27/1067017527.db2.gz WPODEUSUUSSCCJ-CYBMUJFWSA-N 0 0 506.784 4.758 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Cl ZINC000409285201 1066351646 /nfs/dbraw/zinc/35/16/46/1066351646.db2.gz WPODEUSUUSSCCJ-ZDUSSCGKSA-N 0 0 506.784 4.758 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Br)cc1[N+](=O)[O-] ZINC000409285216 1067017578 /nfs/dbraw/zinc/01/75/78/1067017578.db2.gz WRRKEPOXMKFCQV-GFCCVEGCSA-N 0 0 596.232 4.605 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Br)cc1[N+](=O)[O-] ZINC000409285218 1067017436 /nfs/dbraw/zinc/01/74/36/1067017436.db2.gz WRRKEPOXMKFCQV-LBPRGKRZSA-N 0 0 596.232 4.605 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OC(C)=O ZINC000409285302 1067017554 /nfs/dbraw/zinc/01/75/54/1067017554.db2.gz TVLPTESKUUEOIA-UHFFFAOYSA-N 0 0 598.235 4.877 40 30 KJEBRN CCOc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1[N+](=O)[O-] ZINC000409285350 1067017143 /nfs/dbraw/zinc/01/71/43/1067017143.db2.gz WKGHBBHQXLYMMQ-UHFFFAOYSA-N 0 0 524.169 4.673 40 30 KJEBRN CC(=O)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409285354 1067017131 /nfs/dbraw/zinc/01/71/31/1067017131.db2.gz VSUIKUFNNOTGEQ-UHFFFAOYSA-N 0 0 566.206 4.935 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1OCC(=O)OC(C)C ZINC000409285369 1067017648 /nfs/dbraw/zinc/01/76/48/1067017648.db2.gz VWBCETZUBBUECG-UHFFFAOYSA-N 0 0 546.418 4.512 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OCC ZINC000409285399 1067017632 /nfs/dbraw/zinc/01/76/32/1067017632.db2.gz WOSCHZAMGXVTJK-INIZCTEOSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OCC ZINC000409285403 1067017541 /nfs/dbraw/zinc/01/75/41/1067017541.db2.gz WOSCHZAMGXVTJK-MRXNPFEDSA-N 0 0 530.419 4.894 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC#N)c(Br)c1 ZINC000409285422 1067017608 /nfs/dbraw/zinc/01/76/08/1067017608.db2.gz NQBSFWXTUKFJCX-UHFFFAOYSA-N 0 0 555.024 4.777 40 30 KJEBRN COC(=O)COc1cc(Br)c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1OC ZINC000409285436 1067017512 /nfs/dbraw/zinc/01/75/12/1067017512.db2.gz WTNJTYTUQDOIAM-UHFFFAOYSA-N 0 0 528.403 4.649 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)Nc2ccccc2F)c1 ZINC000409285459 1067017697 /nfs/dbraw/zinc/01/76/97/1067017697.db2.gz NWKDKRPTXKSIRP-UHFFFAOYSA-N 0 0 523.362 4.760 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)Nc1cccc(F)c1 ZINC000409285463 1067017452 /nfs/dbraw/zinc/01/74/52/1067017452.db2.gz NXARZXWSQXHSBJ-UHFFFAOYSA-N 0 0 568.359 4.668 40 30 KJEBRN C#CCOc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409285475 1067017682 /nfs/dbraw/zinc/01/76/82/1067017682.db2.gz NZJVVAPXEUEHEB-UHFFFAOYSA-N 0 0 524.489 4.629 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000409285497 1067017087 /nfs/dbraw/zinc/01/70/87/1067017087.db2.gz WTYIOCWZXMXIQW-UHFFFAOYSA-N 0 0 511.307 4.976 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409285505 1066351481 /nfs/dbraw/zinc/35/14/81/1066351481.db2.gz XKWALIONJYXOTP-CYBMUJFWSA-N 0 0 506.784 4.758 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409285507 1066351699 /nfs/dbraw/zinc/35/16/99/1066351699.db2.gz XKWALIONJYXOTP-ZDUSSCGKSA-N 0 0 506.784 4.758 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409285542 1067017168 /nfs/dbraw/zinc/01/71/68/1067017168.db2.gz WBDAJKWMDJWCBR-UHFFFAOYSA-N 0 0 644.510 4.567 40 30 KJEBRN C#CCOc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409285571 1067017255 /nfs/dbraw/zinc/01/72/55/1067017255.db2.gz XPZVVIRAKYPQGX-UHFFFAOYSA-N 0 0 594.247 4.964 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000409285589 1067017049 /nfs/dbraw/zinc/01/70/49/1067017049.db2.gz UJDKKENUSWLULC-UHFFFAOYSA-N 0 0 552.404 4.572 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000409285606 1067017218 /nfs/dbraw/zinc/01/72/18/1067017218.db2.gz UKIVNQKNDWCWBM-UHFFFAOYSA-N 0 0 505.372 4.621 40 30 KJEBRN COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409285641 1066351690 /nfs/dbraw/zinc/35/16/90/1066351690.db2.gz WMMBQUMIDMSIAT-UHFFFAOYSA-N 0 0 524.169 4.844 40 30 KJEBRN C#CCOc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409285652 1067017205 /nfs/dbraw/zinc/01/72/05/1067017205.db2.gz UNLAIBRGOOODCQ-UHFFFAOYSA-N 0 0 548.191 4.847 40 30 KJEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Cl ZINC000409285732 1067017105 /nfs/dbraw/zinc/01/71/05/1067017105.db2.gz YGFOTJRVSMCYFX-UHFFFAOYSA-N 0 0 507.333 4.863 40 30 KJEBRN O=C(COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)N1CCOCC1 ZINC000409285749 1067017243 /nfs/dbraw/zinc/01/72/43/1067017243.db2.gz XCEGQCBTBMJJIK-UHFFFAOYSA-N 0 0 542.979 4.583 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)ccc1OCC(=O)OC ZINC000409285755 1067017194 /nfs/dbraw/zinc/01/71/94/1067017194.db2.gz XDKZAWPUELUZKX-UHFFFAOYSA-N 0 0 527.533 4.651 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409285773 1067017153 /nfs/dbraw/zinc/01/71/53/1067017153.db2.gz OHJBHSUHJSXFJP-CYBMUJFWSA-N 0 0 551.235 4.697 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409285776 1066351489 /nfs/dbraw/zinc/35/14/89/1066351489.db2.gz OHJBHSUHJSXFJP-ZDUSSCGKSA-N 0 0 551.235 4.697 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(N4CCOCC4)cc3OC)cc21 ZINC000409285816 1067016713 /nfs/dbraw/zinc/01/67/13/1067016713.db2.gz XPDBLQHKUALDHZ-UHFFFAOYSA-N 0 0 510.550 4.546 40 30 KJEBRN NC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br ZINC000409285828 1067017231 /nfs/dbraw/zinc/01/72/31/1067017231.db2.gz OREQXARKLQPHDX-UHFFFAOYSA-N 0 0 551.784 4.972 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl ZINC000409285849 1066350025 /nfs/dbraw/zinc/35/00/25/1066350025.db2.gz OYHUGOLOJYBNRQ-JTQLQIEISA-N 0 0 513.175 4.597 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl ZINC000409285851 1067017269 /nfs/dbraw/zinc/01/72/69/1067017269.db2.gz OYHUGOLOJYBNRQ-SNVBAGLBSA-N 0 0 513.175 4.597 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc2ccccc2c1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409285881 1066349977 /nfs/dbraw/zinc/34/99/77/1066349977.db2.gz XUUBNJIKGFSNEM-HNNXBMFYSA-N 0 0 508.372 4.833 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc2ccccc2c1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409285884 1066350142 /nfs/dbraw/zinc/35/01/42/1066350142.db2.gz XUUBNJIKGFSNEM-OAHLLOKOSA-N 0 0 508.372 4.833 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccccc1C#N ZINC000409285893 1067017307 /nfs/dbraw/zinc/01/73/07/1067017307.db2.gz UZQMFPCHXWSWPX-UHFFFAOYSA-N 0 0 533.382 4.818 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2OCC(=O)N2CCOCC2)cc1C(C)C ZINC000409285896 1067017119 /nfs/dbraw/zinc/01/71/19/1067017119.db2.gz VALYIEZOCIUHBB-UHFFFAOYSA-N 0 0 599.644 4.532 40 30 KJEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409285955 1067016806 /nfs/dbraw/zinc/01/68/06/1067016806.db2.gz PHMOBPQRBYMRMG-UHFFFAOYSA-N 0 0 541.482 4.534 40 30 KJEBRN C=CCOc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409285974 1067016874 /nfs/dbraw/zinc/01/68/74/1067016874.db2.gz YCTGBQVRCHRYNI-UHFFFAOYSA-N 0 0 501.337 4.646 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409285980 1067016917 /nfs/dbraw/zinc/01/69/17/1067016917.db2.gz YHWRFGSDIITVEN-UHFFFAOYSA-N 0 0 553.388 4.905 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409285987 1067016888 /nfs/dbraw/zinc/01/68/88/1067016888.db2.gz YECXPVUOWVHVRX-JTQLQIEISA-N 0 0 557.626 4.706 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409285990 1066350131 /nfs/dbraw/zinc/35/01/31/1066350131.db2.gz YECXPVUOWVHVRX-SNVBAGLBSA-N 0 0 557.626 4.706 40 30 KJEBRN O=C(COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000409285998 1066349992 /nfs/dbraw/zinc/34/99/92/1066349992.db2.gz PIFIGOVOMHEOIY-UHFFFAOYSA-N 0 0 632.427 4.600 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12 ZINC000409286060 1067016901 /nfs/dbraw/zinc/01/69/01/1067016901.db2.gz XPMNAMSWGQWWCX-UHFFFAOYSA-N 0 0 514.383 4.943 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409286062 1067016689 /nfs/dbraw/zinc/01/66/89/1067016689.db2.gz VKLUDMAURBUNDH-UHFFFAOYSA-N 0 0 523.343 4.845 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc(OC)c3OCC(=O)N3CCOCC3)cc21 ZINC000409286078 1067016742 /nfs/dbraw/zinc/01/67/42/1067016742.db2.gz VMIOKBVEDLYIKD-UHFFFAOYSA-N 0 0 647.482 4.709 40 30 KJEBRN C=CCOc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC ZINC000409286086 1066350075 /nfs/dbraw/zinc/35/00/75/1066350075.db2.gz VNQHGGCMBKPVNG-UHFFFAOYSA-N 0 0 507.182 4.686 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(N)=O ZINC000409286107 1067016793 /nfs/dbraw/zinc/01/67/93/1067016793.db2.gz VQSVJCSOPSLRGB-UHFFFAOYSA-N 0 0 570.669 4.619 40 30 KJEBRN C=CCc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc(OCC)c1OCC(N)=O ZINC000409286118 1067016669 /nfs/dbraw/zinc/01/66/69/1067016669.db2.gz VRTRMHRCPCYUFT-UHFFFAOYSA-N 0 0 522.561 4.683 40 30 KJEBRN CCOC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409286132 1067016859 /nfs/dbraw/zinc/01/68/59/1067016859.db2.gz XXTJSTQIHIKNTC-UHFFFAOYSA-N 0 0 538.526 4.972 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409286140 1067016773 /nfs/dbraw/zinc/01/67/73/1067016773.db2.gz XYKHPAXKNQEPSB-UHFFFAOYSA-N 0 0 524.331 4.844 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1 ZINC000409286175 1067016752 /nfs/dbraw/zinc/01/67/52/1067016752.db2.gz ZAZKANAQCNCTLV-UHFFFAOYSA-N 0 0 580.395 4.592 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OCC#N ZINC000409286193 1067016846 /nfs/dbraw/zinc/01/68/46/1067016846.db2.gz YDVSNBKCRCXLLA-UHFFFAOYSA-N 0 0 508.456 4.884 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1C(C)C ZINC000409286216 1067016728 /nfs/dbraw/zinc/01/67/28/1067016728.db2.gz YIAZGOZLZFDNST-UHFFFAOYSA-N 0 0 554.647 4.624 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409286265 1067016387 /nfs/dbraw/zinc/01/63/87/1067016387.db2.gz ZRHOWRXWKHFDPQ-CYBMUJFWSA-N 0 0 581.261 4.841 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409286266 1067016348 /nfs/dbraw/zinc/01/63/48/1067016348.db2.gz ZRHOWRXWKHFDPQ-ZDUSSCGKSA-N 0 0 581.261 4.841 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1OCC(=O)OC ZINC000409286277 1067016510 /nfs/dbraw/zinc/01/65/10/1067016510.db2.gz PNDRZXIIVQAXCB-UHFFFAOYSA-N 0 0 581.261 4.878 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)OC)c(Cl)c1Br ZINC000409286350 1067016374 /nfs/dbraw/zinc/01/63/74/1067016374.db2.gz ZZFKLHDCKYRYPD-LLVKDONJSA-N 0 0 601.679 4.968 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)OC)c(Cl)c1Br ZINC000409286353 1066350049 /nfs/dbraw/zinc/35/00/49/1066350049.db2.gz ZZFKLHDCKYRYPD-NSHDSACASA-N 0 0 601.679 4.968 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCC(=O)N1CCOCC1 ZINC000409286359 1067016700 /nfs/dbraw/zinc/01/67/00/1067016700.db2.gz WALXHGFXKYEJQM-UHFFFAOYSA-N 0 0 617.928 4.989 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)OC(C)C)ccc2ccccc21 ZINC000409286362 1067016761 /nfs/dbraw/zinc/01/67/61/1067016761.db2.gz WANHRNRGBWFJFB-UHFFFAOYSA-N 0 0 508.372 4.833 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000409286377 1066350623 /nfs/dbraw/zinc/35/06/23/1066350623.db2.gz PWICRUOUBOSSFL-UHFFFAOYSA-N 0 0 543.374 4.549 40 30 KJEBRN NC(=O)COc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409286388 1067016366 /nfs/dbraw/zinc/01/63/66/1067016366.db2.gz PXRPVYWDQGZXPK-UHFFFAOYSA-N 0 0 551.784 4.972 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCc1ccccc1C#N ZINC000409286417 1067016295 /nfs/dbraw/zinc/01/62/95/1067016295.db2.gz YPJJBGJDZNLPAF-UHFFFAOYSA-N 0 0 503.356 4.809 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)Nc1ccccc1C ZINC000409286436 1067016357 /nfs/dbraw/zinc/01/63/57/1067016357.db2.gz YRVXXXCUCRMNPK-UHFFFAOYSA-N 0 0 562.468 4.996 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCC(=O)OC ZINC000409286442 1067016399 /nfs/dbraw/zinc/01/63/99/1067016399.db2.gz YQNGOTVBDMRZLI-UHFFFAOYSA-N 0 0 550.837 4.943 40 30 KJEBRN C#CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I ZINC000409286452 1067016339 /nfs/dbraw/zinc/01/63/39/1067016339.db2.gz WFRGABYYOVKVKG-UHFFFAOYSA-N 0 0 511.363 4.943 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409286518 1067016540 /nfs/dbraw/zinc/01/65/40/1067016540.db2.gz YYMPIESZTUHYQK-UHFFFAOYSA-N 0 0 573.005 4.592 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OCC)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409286529 1067016468 /nfs/dbraw/zinc/01/64/68/1067016468.db2.gz YWMGANZXQJUAFS-GOSISDBHSA-N 0 0 536.585 4.964 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OCC)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409286533 1067016525 /nfs/dbraw/zinc/01/65/25/1067016525.db2.gz YWMGANZXQJUAFS-SFHVURJKSA-N 0 0 536.585 4.964 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409286555 1067016328 /nfs/dbraw/zinc/01/63/28/1067016328.db2.gz ZAXDVGVZYFSOFB-UHFFFAOYSA-N 0 0 569.387 4.523 40 30 KJEBRN C#CCOc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC000409286563 1066352360 /nfs/dbraw/zinc/35/23/60/1066352360.db2.gz QHRGZHUCCNGIMB-UHFFFAOYSA-N 0 0 564.221 4.955 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cccc1OC ZINC000409286568 1067016481 /nfs/dbraw/zinc/01/64/81/1067016481.db2.gz ZCHRQIGSRFVNEK-INIZCTEOSA-N 0 0 525.483 4.913 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cccc1OC ZINC000409286571 1067016494 /nfs/dbraw/zinc/01/64/94/1067016494.db2.gz ZCHRQIGSRFVNEK-MRXNPFEDSA-N 0 0 525.483 4.913 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Br)c1OCC(N)=O ZINC000409286588 1067016454 /nfs/dbraw/zinc/01/64/54/1067016454.db2.gz YYXCEZCZNOBFEY-UHFFFAOYSA-N 0 0 592.288 4.724 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@H](C)C(=O)OC ZINC000409286609 1066352406 /nfs/dbraw/zinc/35/24/06/1066352406.db2.gz ZFCJYRIWOMEFEU-LLVKDONJSA-N 0 0 571.653 4.960 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)OC ZINC000409286613 1067016310 /nfs/dbraw/zinc/01/63/10/1067016310.db2.gz ZFCJYRIWOMEFEU-NSHDSACASA-N 0 0 571.653 4.960 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000409286617 1067016440 /nfs/dbraw/zinc/01/64/40/1067016440.db2.gz QMNGOQYPJODSOT-UHFFFAOYSA-N 0 0 524.375 4.928 40 30 KJEBRN COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC(=O)OC(C)C ZINC000409286636 1067016424 /nfs/dbraw/zinc/01/64/24/1067016424.db2.gz ZAXXDKXSLOPRRK-UHFFFAOYSA-N 0 0 530.419 4.678 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC000409286641 1067016410 /nfs/dbraw/zinc/01/64/10/1067016410.db2.gz ZBWZABMHTQWQLU-UHFFFAOYSA-N 0 0 612.262 4.885 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409286730 1067015931 /nfs/dbraw/zinc/01/59/31/1067015931.db2.gz ZMBIGNAAMBFFEP-UHFFFAOYSA-N 0 0 550.837 4.943 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Cl ZINC000409286739 1067015882 /nfs/dbraw/zinc/01/58/82/1067015882.db2.gz ZNWAETPHDZQMTQ-UHFFFAOYSA-N 0 0 506.784 4.760 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OCC(=O)OC ZINC000409286751 1067016007 /nfs/dbraw/zinc/01/60/07/1067016007.db2.gz ZOQXACLSWYDCDV-UHFFFAOYSA-N 0 0 589.430 4.882 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)OC(C)C ZINC000409286811 1067015980 /nfs/dbraw/zinc/01/59/80/1067015980.db2.gz QUNHVNWJLHBPLB-UHFFFAOYSA-N 0 0 551.235 4.697 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc1OC ZINC000409286830 1067016033 /nfs/dbraw/zinc/01/60/33/1067016033.db2.gz QWKPOXVGUAGOMZ-UHFFFAOYSA-N 0 0 529.593 4.947 40 30 KJEBRN C#CCOc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1OC ZINC000409286842 1067015941 /nfs/dbraw/zinc/01/59/41/1067015941.db2.gz QXTRAZUYDWUULQ-UHFFFAOYSA-N 0 0 533.220 4.948 40 30 KJEBRN COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1I ZINC000409286916 1067015991 /nfs/dbraw/zinc/01/59/91/1067015991.db2.gz XKCSMAHJNZYGKP-UHFFFAOYSA-N 0 0 526.172 4.778 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1OCC(=O)N1CCOCC1 ZINC000409286961 1067015506 /nfs/dbraw/zinc/01/55/06/1067015506.db2.gz XORPHOBSSCQPNT-UHFFFAOYSA-N 0 0 573.005 4.592 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1OC(C)=O ZINC000409286964 1067015741 /nfs/dbraw/zinc/01/57/41/1067015741.db2.gz RQDJERLRLAEEEJ-UHFFFAOYSA-N 0 0 542.504 4.933 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409286975 1067015561 /nfs/dbraw/zinc/01/55/61/1067015561.db2.gz RRDYKSZDNAILQP-UHFFFAOYSA-N 0 0 568.359 4.668 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000409286976 1067015614 /nfs/dbraw/zinc/01/56/14/1067015614.db2.gz XQDQKZXGFYPNKT-UHFFFAOYSA-N 0 0 523.362 4.760 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccccc1F ZINC000409286980 1066352521 /nfs/dbraw/zinc/35/25/21/1066352521.db2.gz XRGPTJXAWIMZDO-UHFFFAOYSA-N 0 0 511.307 4.976 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409286982 1067016079 /nfs/dbraw/zinc/01/60/79/1067016079.db2.gz XRIIHGBDGUOQNH-UHFFFAOYSA-N 0 0 697.368 4.580 40 30 KJEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1Cl ZINC000409287005 1067016094 /nfs/dbraw/zinc/01/60/94/1067016094.db2.gz XVCSQLWCSAAURI-UHFFFAOYSA-N 0 0 551.784 4.972 40 30 KJEBRN CCOc1cc(OCC)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409287051 1066352576 /nfs/dbraw/zinc/35/25/76/1066352576.db2.gz YCFYMZVAJVPXAY-UHFFFAOYSA-N 0 0 509.198 4.910 40 30 KJEBRN C#CCOc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000409287083 1066352536 /nfs/dbraw/zinc/35/25/36/1066352536.db2.gz YGBNADBZYYTJFK-UHFFFAOYSA-N 0 0 522.439 4.893 40 30 KJEBRN C#CCOc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Br ZINC000409287104 1067015707 /nfs/dbraw/zinc/01/57/07/1067015707.db2.gz SHGNNGNCJWCCSH-UHFFFAOYSA-N 0 0 503.194 4.939 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cccc1[N+](=O)[O-] ZINC000409287136 1067015692 /nfs/dbraw/zinc/01/56/92/1067015692.db2.gz YUBVOMTUZJCCNO-KRWDZBQOSA-N 0 0 556.531 4.939 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cccc1[N+](=O)[O-] ZINC000409287138 1067015651 /nfs/dbraw/zinc/01/56/51/1067015651.db2.gz YUBVOMTUZJCCNO-QGZVFWFLSA-N 0 0 556.531 4.939 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000409287142 1066352611 /nfs/dbraw/zinc/35/26/11/1066352611.db2.gz YUMSNBNFAPYZEZ-AWEZNQCLSA-N 0 0 545.390 4.577 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000409287144 1067015497 /nfs/dbraw/zinc/01/54/97/1067015497.db2.gz YUMSNBNFAPYZEZ-CQSZACIVSA-N 0 0 545.390 4.577 40 30 KJEBRN COC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1OC ZINC000409287188 1067015588 /nfs/dbraw/zinc/01/55/88/1067015588.db2.gz ZCRSXVLGEXZBCX-UHFFFAOYSA-N 0 0 547.951 4.914 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)cc1OC ZINC000409287223 1067015533 /nfs/dbraw/zinc/01/55/33/1067015533.db2.gz ZJCOSMNPJHRJED-UHFFFAOYSA-N 0 0 517.925 4.906 40 30 KJEBRN CCOC(=O)COc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409287240 1067015546 /nfs/dbraw/zinc/01/55/46/1067015546.db2.gz ZNBCQGXCLWOEEX-UHFFFAOYSA-N 0 0 551.235 4.869 40 30 KJEBRN C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)OC(C)C ZINC000409287287 1067015756 /nfs/dbraw/zinc/01/57/56/1067015756.db2.gz ZXOPRFPQSRPGJT-UHFFFAOYSA-N 0 0 542.430 4.807 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)c(OCC(N)=O)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409287320 1067028302 /nfs/dbraw/zinc/02/83/02/1067028302.db2.gz TZXDRBZNAUHKQV-UHFFFAOYSA-N 0 0 608.449 4.921 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)N4CCOCC4)c(I)c3)cc21 ZINC000409287339 1067028230 /nfs/dbraw/zinc/02/82/30/1067028230.db2.gz UEQIWUHGKWRSQJ-UHFFFAOYSA-N 0 0 664.456 4.543 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Br ZINC000409287361 1066352468 /nfs/dbraw/zinc/35/24/68/1066352468.db2.gz UJPBVFLOMJWLQI-UHFFFAOYSA-N 0 0 551.235 4.869 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OC ZINC000409287392 1067028265 /nfs/dbraw/zinc/02/82/65/1067028265.db2.gz UTIIXYSFQMQUQG-UHFFFAOYSA-N 0 0 509.198 4.944 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Cl)cc1OC ZINC000409287427 1067028505 /nfs/dbraw/zinc/02/85/05/1067028505.db2.gz VEWJDCVQIXEFMK-UHFFFAOYSA-N 0 0 547.951 4.914 40 30 KJEBRN C=CCc1cc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC#N ZINC000409287548 1067028245 /nfs/dbraw/zinc/02/82/45/1067028245.db2.gz WMNRUQGJNWANNI-UHFFFAOYSA-N 0 0 509.404 4.978 40 30 KJEBRN Cc1ccccc1NC(=O)COc1cc(N(C)C)ccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409287597 1067028431 /nfs/dbraw/zinc/02/84/31/1067028431.db2.gz XAZDZSOQWSRBDE-UHFFFAOYSA-N 0 0 548.441 4.742 40 30 KJEBRN Cc1ccccc1NC(=O)COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1 ZINC000409287599 1067028400 /nfs/dbraw/zinc/02/84/00/1067028400.db2.gz XBZFRDUCHGGKOC-UHFFFAOYSA-N 0 0 505.372 4.676 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409287693 1066352494 /nfs/dbraw/zinc/35/24/94/1066352494.db2.gz YCNXDVFNDRFIPT-KRWDZBQOSA-N 0 0 556.531 4.939 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409287694 1067028417 /nfs/dbraw/zinc/02/84/17/1067028417.db2.gz YCNXDVFNDRFIPT-QGZVFWFLSA-N 0 0 556.531 4.939 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1C#N ZINC000409287704 1067028385 /nfs/dbraw/zinc/02/83/85/1067028385.db2.gz YHCKPLKDSZUDJW-UHFFFAOYSA-N 0 0 532.354 4.962 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1OCC#N ZINC000409287791 1066352549 /nfs/dbraw/zinc/35/25/49/1066352549.db2.gz ZHYZBKXLTSXUOC-UHFFFAOYSA-N 0 0 509.478 4.901 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1OC ZINC000409287864 1066352508 /nfs/dbraw/zinc/35/25/08/1066352508.db2.gz ACNRVUHJKVXJMS-GOSISDBHSA-N 0 0 507.587 4.674 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1OC ZINC000409287865 1067028369 /nfs/dbraw/zinc/02/83/69/1067028369.db2.gz ACNRVUHJKVXJMS-SFHVURJKSA-N 0 0 507.587 4.674 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)c(I)c1 ZINC000409287898 1067028320 /nfs/dbraw/zinc/02/83/20/1067028320.db2.gz AMNYLHCLDYFLMC-UHFFFAOYSA-N 0 0 540.199 4.995 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC#N)c(I)c1 ZINC000409287933 1067028285 /nfs/dbraw/zinc/02/82/85/1067028285.db2.gz AVCATIUODQUDQW-UHFFFAOYSA-N 0 0 663.051 4.715 40 30 KJEBRN NC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-] ZINC000409287943 1067028353 /nfs/dbraw/zinc/02/83/53/1067028353.db2.gz AYPQHOXGFJTBAD-UHFFFAOYSA-N 0 0 596.781 4.880 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409287961 1067028483 /nfs/dbraw/zinc/02/84/83/1067028483.db2.gz BEFSYVAHTFLNDA-UHFFFAOYSA-N 0 0 522.558 4.574 40 30 KJEBRN COC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409287963 1067028489 /nfs/dbraw/zinc/02/84/89/1067028489.db2.gz BEZKAAUVNAMPIW-UHFFFAOYSA-N 0 0 577.347 4.914 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC(=O)N4CCOCC4)cc3Br)cc21 ZINC000409288029 1067027797 /nfs/dbraw/zinc/02/77/97/1067027797.db2.gz BYEMNGSEMKPPRG-UHFFFAOYSA-N 0 0 647.482 4.709 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409288032 1067028100 /nfs/dbraw/zinc/02/81/00/1067028100.db2.gz BYRCLBQHTSESAH-AWEZNQCLSA-N 0 0 575.416 4.586 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409288033 1067027936 /nfs/dbraw/zinc/02/79/36/1067027936.db2.gz BYRCLBQHTSESAH-CQSZACIVSA-N 0 0 575.416 4.586 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC#N ZINC000409288045 1066352419 /nfs/dbraw/zinc/35/24/19/1066352419.db2.gz CCMRBFVGGBTZLA-UHFFFAOYSA-N 0 0 549.179 4.738 40 30 KJEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Br ZINC000409288057 1067027918 /nfs/dbraw/zinc/02/79/18/1067027918.db2.gz CEYXWQRWTLAYKO-UHFFFAOYSA-N 0 0 551.784 4.972 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC#N)c(Br)c1 ZINC000409288115 1066352599 /nfs/dbraw/zinc/35/25/99/1066352599.db2.gz CXPRSLQOXDRCRA-UHFFFAOYSA-N 0 0 510.573 4.668 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409288116 1067027814 /nfs/dbraw/zinc/02/78/14/1067027814.db2.gz CXQOWAAWWWBYJY-UHFFFAOYSA-N 0 0 589.443 4.976 40 30 KJEBRN O=C(COc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1)N1CCOCC1 ZINC000409288132 1067028070 /nfs/dbraw/zinc/02/80/70/1067028070.db2.gz DCUXNZOQPRXPTP-UHFFFAOYSA-N 0 0 542.979 4.583 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cc(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409288154 1067027900 /nfs/dbraw/zinc/02/79/00/1067027900.db2.gz DGSXCTCQCDMEAI-CYBMUJFWSA-N 0 0 581.261 4.841 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cc(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409288155 1067027981 /nfs/dbraw/zinc/02/79/81/1067027981.db2.gz DGSXCTCQCDMEAI-ZDUSSCGKSA-N 0 0 581.261 4.841 40 30 KJEBRN C#CCOc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1OC ZINC000409288165 1067027969 /nfs/dbraw/zinc/02/79/69/1067027969.db2.gz DJYFWONLVVIARH-UHFFFAOYSA-N 0 0 541.389 4.952 40 30 KJEBRN CC(C)OC(=O)COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1 ZINC000409288180 1066352481 /nfs/dbraw/zinc/35/24/81/1066352481.db2.gz DODGVONHRAVOJF-UHFFFAOYSA-N 0 0 500.393 4.669 40 30 KJEBRN C#CCOc1c(Br)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409288228 1067028055 /nfs/dbraw/zinc/02/80/55/1067028055.db2.gz DZRXBYXHSVAPKQ-UHFFFAOYSA-N 0 0 533.220 4.777 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409288231 1067028084 /nfs/dbraw/zinc/02/80/84/1067028084.db2.gz FBIWBTNZOWQBJB-UHFFFAOYSA-N 0 0 552.341 4.999 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409288262 1067027839 /nfs/dbraw/zinc/02/78/39/1067027839.db2.gz FKIFVXODGYWFCT-UHFFFAOYSA-N 0 0 551.781 4.668 40 30 KJEBRN NC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)cc1[N+](=O)[O-] ZINC000409288294 1067027633 /nfs/dbraw/zinc/02/76/33/1067027633.db2.gz FUXDLMLIYAXGHB-UHFFFAOYSA-N 0 0 596.781 4.880 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cccc1[N+](=O)[O-] ZINC000409288313 1067028026 /nfs/dbraw/zinc/02/80/26/1067028026.db2.gz GAGIUDOPANMCLR-UHFFFAOYSA-N 0 0 577.347 4.914 40 30 KJEBRN C#CCOc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1I ZINC000409288315 1067027870 /nfs/dbraw/zinc/02/78/70/1067027870.db2.gz GANVKGWWNMWZMX-UHFFFAOYSA-N 0 0 550.194 4.781 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCC(=O)N4CCOCC4)c(OC)c3)cc21 ZINC000409288327 1067027884 /nfs/dbraw/zinc/02/78/84/1067027884.db2.gz GEEAWXUOOPKFCX-UHFFFAOYSA-N 0 0 603.031 4.600 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O ZINC000409288364 1067028012 /nfs/dbraw/zinc/02/80/12/1067028012.db2.gz GOJAHFIPAKDGDB-UHFFFAOYSA-N 0 0 556.198 4.658 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1C(C)C ZINC000409288380 1067028040 /nfs/dbraw/zinc/02/80/40/1067028040.db2.gz GTWHALXUNPJECU-UHFFFAOYSA-N 0 0 549.027 4.912 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1OC ZINC000409288490 1067027474 /nfs/dbraw/zinc/02/74/74/1067027474.db2.gz AKLFEXBMXGEUCC-CYBMUJFWSA-N 0 0 581.261 4.876 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1OC ZINC000409288491 1066352434 /nfs/dbraw/zinc/35/24/34/1066352434.db2.gz AKLFEXBMXGEUCC-ZDUSSCGKSA-N 0 0 581.261 4.876 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC000409288536 1067027520 /nfs/dbraw/zinc/02/75/20/1067027520.db2.gz AVERZLRNKLITTP-UHFFFAOYSA-N 0 0 601.093 4.554 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409288594 1066352558 /nfs/dbraw/zinc/35/25/58/1066352558.db2.gz HZAMGEXTQDGIKQ-UHFFFAOYSA-N 0 0 569.328 4.752 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCC(=O)OC(C)C ZINC000409288597 1067027504 /nfs/dbraw/zinc/02/75/04/1067027504.db2.gz HZPZVYDFTZYGBI-UHFFFAOYSA-N 0 0 530.419 4.678 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1[N+](=O)[O-] ZINC000409288602 1067027605 /nfs/dbraw/zinc/02/76/05/1067027605.db2.gz IAMZHGTVVSUWNY-GFCCVEGCSA-N 0 0 596.232 4.605 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1[N+](=O)[O-] ZINC000409288603 1067027440 /nfs/dbraw/zinc/02/74/40/1067027440.db2.gz IAMZHGTVVSUWNY-LBPRGKRZSA-N 0 0 596.232 4.605 40 30 KJEBRN C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)OCC ZINC000409288638 1067027564 /nfs/dbraw/zinc/02/75/64/1067027564.db2.gz ILBYKTQDYUHDGQ-INIZCTEOSA-N 0 0 542.430 4.807 40 30 KJEBRN C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@H](C)C(=O)OCC ZINC000409288639 1067027656 /nfs/dbraw/zinc/02/76/56/1067027656.db2.gz ILBYKTQDYUHDGQ-MRXNPFEDSA-N 0 0 542.430 4.807 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000409288692 1067027682 /nfs/dbraw/zinc/02/76/82/1067027682.db2.gz BLGRWFWGYNYWQQ-UHFFFAOYSA-N 0 0 562.468 4.996 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OCC#N ZINC000409288726 1067027577 /nfs/dbraw/zinc/02/75/77/1067027577.db2.gz BQKGGWINTDWLFL-UHFFFAOYSA-N 0 0 534.208 4.838 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1OC ZINC000409288812 1067027423 /nfs/dbraw/zinc/02/74/23/1067027423.db2.gz JIQKDSMXWHHJPT-UHFFFAOYSA-N 0 0 557.559 4.660 40 30 KJEBRN O=C(COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409288824 1067027488 /nfs/dbraw/zinc/02/74/88/1067027488.db2.gz CDEUOONXQKXDCX-UHFFFAOYSA-N 0 0 632.427 4.600 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccccc1C#N ZINC000409288838 1067027591 /nfs/dbraw/zinc/02/75/91/1067027591.db2.gz JMHUBNVBKKQIHA-UHFFFAOYSA-N 0 0 518.327 4.709 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccccc1 ZINC000409288850 1067027100 /nfs/dbraw/zinc/02/71/00/1067027100.db2.gz JPNSYIOKABDYSW-UHFFFAOYSA-N 0 0 508.372 4.946 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC000409288908 1067027456 /nfs/dbraw/zinc/02/74/56/1067027456.db2.gz CUOPUNQNVDHVPZ-UHFFFAOYSA-N 0 0 570.669 4.619 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1OCC(=O)N1CCOCC1 ZINC000409288936 1067027643 /nfs/dbraw/zinc/02/76/43/1067027643.db2.gz JUMVRTWQUGHVQO-UHFFFAOYSA-N 0 0 600.981 4.864 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409288961 1067027549 /nfs/dbraw/zinc/02/75/49/1067027549.db2.gz JXGVSEFUTLVJSL-UHFFFAOYSA-N 0 0 692.432 4.815 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)Nc2ccccc2F)c1 ZINC000409288980 1066353042 /nfs/dbraw/zinc/35/30/42/1066353042.db2.gz KCGGYDFAJUWUQC-UHFFFAOYSA-N 0 0 509.335 4.506 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC000409288988 1067027535 /nfs/dbraw/zinc/02/75/35/1067027535.db2.gz KDETVTDKKGKNKX-UHFFFAOYSA-N 0 0 597.510 4.529 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000409289001 1066352827 /nfs/dbraw/zinc/35/28/27/1066352827.db2.gz KFFWATKHSYHBIC-KRWDZBQOSA-N 0 0 526.505 4.931 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000409289002 1067027034 /nfs/dbraw/zinc/02/70/34/1067027034.db2.gz KFFWATKHSYHBIC-QGZVFWFLSA-N 0 0 526.505 4.931 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409289028 1066353051 /nfs/dbraw/zinc/35/30/51/1066353051.db2.gz KNQCMFMQOOAUOZ-CYBMUJFWSA-N 0 0 628.261 4.718 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409289029 1067027064 /nfs/dbraw/zinc/02/70/64/1067027064.db2.gz KNQCMFMQOOAUOZ-ZDUSSCGKSA-N 0 0 628.261 4.718 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)N3CCOCC3)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409289038 1067027274 /nfs/dbraw/zinc/02/72/74/1067027274.db2.gz KRAIEZBVDJKIKQ-UHFFFAOYSA-N 0 0 613.671 4.922 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409289060 1067027215 /nfs/dbraw/zinc/02/72/15/1067027215.db2.gz DMUPEKNCBNOSEG-UHFFFAOYSA-N 0 0 581.261 4.878 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl ZINC000409289092 1067027154 /nfs/dbraw/zinc/02/71/54/1067027154.db2.gz DUCLJYZTYVZHMB-UHFFFAOYSA-N 0 0 506.784 4.544 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccccc2C#N)c([N+](=O)[O-])c1 ZINC000409289109 1067027204 /nfs/dbraw/zinc/02/72/04/1067027204.db2.gz KVPSYAOCXCLTBB-UHFFFAOYSA-N 0 0 532.354 4.962 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c3)cc21 ZINC000409289135 1067027260 /nfs/dbraw/zinc/02/72/60/1067027260.db2.gz FBFLBDUKFYSSIQ-UHFFFAOYSA-N 0 0 586.557 4.948 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC000409289159 1067027079 /nfs/dbraw/zinc/02/70/79/1067027079.db2.gz LDEKFAMDBUTFNN-HNNXBMFYSA-N 0 0 500.393 4.669 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC000409289161 1067027127 /nfs/dbraw/zinc/02/71/27/1067027127.db2.gz LDEKFAMDBUTFNN-OAHLLOKOSA-N 0 0 500.393 4.669 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000409289172 1066352862 /nfs/dbraw/zinc/35/28/62/1066352862.db2.gz LEIAMRXSQDAYGB-UHFFFAOYSA-N 0 0 522.355 4.666 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409289202 1067027195 /nfs/dbraw/zinc/02/71/95/1067027195.db2.gz LIKQXFLAASKAET-CYBMUJFWSA-N 0 0 581.261 4.705 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409289204 1067027286 /nfs/dbraw/zinc/02/72/86/1067027286.db2.gz LIKQXFLAASKAET-ZDUSSCGKSA-N 0 0 581.261 4.705 40 30 KJEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCC(=O)Nc1cccc(F)c1 ZINC000409289212 1067027140 /nfs/dbraw/zinc/02/71/40/1067027140.db2.gz LJSFYWLFNAELSE-UHFFFAOYSA-N 0 0 539.361 4.515 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409289226 1067027224 /nfs/dbraw/zinc/02/72/24/1067027224.db2.gz LNLXVIPXJFKVQG-UHFFFAOYSA-N 0 0 553.369 4.854 40 30 KJEBRN CC(=O)Oc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000409289258 1067027248 /nfs/dbraw/zinc/02/72/48/1067027248.db2.gz FKKCEFBLOPKSOB-UHFFFAOYSA-N 0 0 513.348 4.922 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC#N)cc2)c1C ZINC000409289262 1067027112 /nfs/dbraw/zinc/02/71/12/1067027112.db2.gz FLJMURXGOYDFDQ-UHFFFAOYSA-N 0 0 504.388 4.914 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1OCC#N ZINC000409289317 1067026876 /nfs/dbraw/zinc/02/68/76/1067026876.db2.gz LYUQJBIHJHVZQB-UHFFFAOYSA-N 0 0 581.208 4.680 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409289390 1067026859 /nfs/dbraw/zinc/02/68/59/1067026859.db2.gz MIKYZOZHZURINN-HNNXBMFYSA-N 0 0 546.418 4.512 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409289392 1067026662 /nfs/dbraw/zinc/02/66/62/1067026662.db2.gz MIKYZOZHZURINN-OAHLLOKOSA-N 0 0 546.418 4.512 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409289421 1067026694 /nfs/dbraw/zinc/02/66/94/1067026694.db2.gz GJZWIGNVTKTOND-CYBMUJFWSA-N 0 0 551.235 4.867 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409289422 1067027167 /nfs/dbraw/zinc/02/71/67/1067027167.db2.gz GJZWIGNVTKTOND-ZDUSSCGKSA-N 0 0 551.235 4.867 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cccc1OC ZINC000409289427 1066353004 /nfs/dbraw/zinc/35/30/04/1066353004.db2.gz MQEXTHWABZZKCP-KRWDZBQOSA-N 0 0 527.533 4.649 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cccc1OC ZINC000409289428 1067027181 /nfs/dbraw/zinc/02/71/81/1067027181.db2.gz MQEXTHWABZZKCP-QGZVFWFLSA-N 0 0 527.533 4.649 40 30 KJEBRN CCOc1c(Br)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409289469 1067026596 /nfs/dbraw/zinc/02/65/96/1067026596.db2.gz GMSMRWMMKXUGQE-UHFFFAOYSA-N 0 0 509.198 4.773 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1 ZINC000409289517 1066352796 /nfs/dbraw/zinc/35/27/96/1066352796.db2.gz GWEVYIVLADIVOM-UHFFFAOYSA-N 0 0 568.359 4.668 40 30 KJEBRN COC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409289524 1067026820 /nfs/dbraw/zinc/02/68/20/1067026820.db2.gz NGXZGFLDJNFVDE-UHFFFAOYSA-N 0 0 543.374 4.549 40 30 KJEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409289563 1067026678 /nfs/dbraw/zinc/02/66/78/1067026678.db2.gz NONMVOIYRFZYSB-UHFFFAOYSA-N 0 0 620.548 4.984 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409289568 1066353068 /nfs/dbraw/zinc/35/30/68/1066353068.db2.gz HBNIWOWGDOGANE-INIZCTEOSA-N 0 0 542.504 4.549 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409289570 1067026647 /nfs/dbraw/zinc/02/66/47/1067026647.db2.gz HBNIWOWGDOGANE-MRXNPFEDSA-N 0 0 542.504 4.549 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)Nc1ccccc1 ZINC000409289571 1067026775 /nfs/dbraw/zinc/02/67/75/1067026775.db2.gz NQJOXXFPLVDXGX-UHFFFAOYSA-N 0 0 505.372 4.621 40 30 KJEBRN N#CCOc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409289653 1067026758 /nfs/dbraw/zinc/02/67/58/1067026758.db2.gz HJAZMZXTQWGDHP-UHFFFAOYSA-N 0 0 510.348 4.899 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1OCC(=O)N1CCOCC1 ZINC000409289682 1067026790 /nfs/dbraw/zinc/02/67/90/1067026790.db2.gz OHMDDGWAPBPIAR-UHFFFAOYSA-N 0 0 636.341 4.563 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409289704 1067026629 /nfs/dbraw/zinc/02/66/29/1067026629.db2.gz HSOKGTKOKAADJN-HNNXBMFYSA-N 0 0 540.454 4.813 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409289706 1066352938 /nfs/dbraw/zinc/35/29/38/1066352938.db2.gz HSOKGTKOKAADJN-OAHLLOKOSA-N 0 0 540.454 4.813 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1I ZINC000409289720 1067026828 /nfs/dbraw/zinc/02/68/28/1067026828.db2.gz OOPSIDLEPZMHRG-UHFFFAOYSA-N 0 0 710.104 4.755 40 30 KJEBRN C#CCOc1cc(Br)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409289727 1067026212 /nfs/dbraw/zinc/02/62/12/1067026212.db2.gz OQBOIEBRVJZCFT-UHFFFAOYSA-N 0 0 533.220 4.777 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(N)=O)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409289728 1067026477 /nfs/dbraw/zinc/02/64/77/1067026477.db2.gz HVPNHTUCIHMKFE-UHFFFAOYSA-N 0 0 573.606 4.557 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1OC ZINC000409289755 1066352842 /nfs/dbraw/zinc/35/28/42/1066352842.db2.gz OVFUYIPPPMXJMJ-KRWDZBQOSA-N 0 0 557.559 4.658 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1OC ZINC000409289757 1067026225 /nfs/dbraw/zinc/02/62/25/1067026225.db2.gz OVFUYIPPPMXJMJ-QGZVFWFLSA-N 0 0 557.559 4.658 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O ZINC000409289781 1066352972 /nfs/dbraw/zinc/35/29/72/1066352972.db2.gz OYVYDYQBHRVGHI-UHFFFAOYSA-N 0 0 509.198 4.815 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)Nc1cccc(F)c1 ZINC000409289835 1067026356 /nfs/dbraw/zinc/02/63/56/1067026356.db2.gz PFZAYJRETQYPJW-UHFFFAOYSA-N 0 0 566.431 4.826 40 30 KJEBRN CCOC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409289879 1067026249 /nfs/dbraw/zinc/02/62/49/1067026249.db2.gz ISZWDKKWGMMTSK-UHFFFAOYSA-N 0 0 510.550 4.700 40 30 KJEBRN COC(=O)COc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409289887 1067026372 /nfs/dbraw/zinc/02/63/72/1067026372.db2.gz POUNCDVYKRXOBX-UHFFFAOYSA-N 0 0 551.235 4.653 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409289897 1067026235 /nfs/dbraw/zinc/02/62/35/1067026235.db2.gz IVMZEUUFHIKDPY-UHFFFAOYSA-N 0 0 542.504 4.551 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409289913 1067026387 /nfs/dbraw/zinc/02/63/87/1067026387.db2.gz PSOVDRLCKHAMGZ-UHFFFAOYSA-N 0 0 561.938 4.516 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OCC#N ZINC000409289931 1067026266 /nfs/dbraw/zinc/02/62/66/1067026266.db2.gz PUQVITYWBZIGAM-UHFFFAOYSA-N 0 0 540.599 4.677 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1OC ZINC000409289940 1067026403 /nfs/dbraw/zinc/02/64/03/1067026403.db2.gz PVQHLUSEEIUEKQ-HNNXBMFYSA-N 0 0 530.419 4.678 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1OC ZINC000409289942 1067026314 /nfs/dbraw/zinc/02/63/14/1067026314.db2.gz PVQHLUSEEIUEKQ-OAHLLOKOSA-N 0 0 530.419 4.678 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)Nc1ccccc1 ZINC000409289977 1067026327 /nfs/dbraw/zinc/02/63/27/1067026327.db2.gz JINVIVBJNVUQTK-UHFFFAOYSA-N 0 0 535.398 4.630 40 30 KJEBRN C=CCOc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409289998 1067026460 /nfs/dbraw/zinc/02/64/60/1067026460.db2.gz QFLPQEIDZCCCCK-UHFFFAOYSA-N 0 0 500.393 4.921 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409289999 1067026342 /nfs/dbraw/zinc/02/63/42/1067026342.db2.gz JKHZODYYHLGRNQ-UHFFFAOYSA-N 0 0 504.728 4.629 40 30 KJEBRN COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCC(=O)OC(C)C ZINC000409290026 1067025889 /nfs/dbraw/zinc/02/58/89/1067025889.db2.gz JNIOYBLMOHCVPA-UHFFFAOYSA-N 0 0 516.392 4.504 40 30 KJEBRN CCOC(=O)COc1c(Cl)c(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409290044 1067026082 /nfs/dbraw/zinc/02/60/82/1067026082.db2.gz QPPFQUDTTIMFKS-UHFFFAOYSA-N 0 0 587.652 4.716 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC(C)C)cc1Br ZINC000409290050 1067026044 /nfs/dbraw/zinc/02/60/44/1067026044.db2.gz QQXMYKCVIFUNFW-UHFFFAOYSA-N 0 0 581.261 4.705 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(OC)c3OCC(=O)N3CCOCC3)cc21 ZINC000409290085 1067026297 /nfs/dbraw/zinc/02/62/97/1067026297.db2.gz QREQFBISTHFQME-UHFFFAOYSA-N 0 0 603.031 4.600 40 30 KJEBRN CC(C)OC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409290245 1067025993 /nfs/dbraw/zinc/02/59/93/1067025993.db2.gz RSPOAPLEOZHFBO-UHFFFAOYSA-N 0 0 526.505 4.931 40 30 KJEBRN CC(C)OC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409290288 1067026025 /nfs/dbraw/zinc/02/60/25/1067026025.db2.gz RXGQIOLYOFGLME-UHFFFAOYSA-N 0 0 526.505 4.931 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)c1OC(C)=O ZINC000409290302 1066352961 /nfs/dbraw/zinc/35/29/61/1066352961.db2.gz KYGLQZQCQZHEGW-UHFFFAOYSA-N 0 0 537.208 4.690 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)OC)c(Cl)c1 ZINC000409290321 1067025977 /nfs/dbraw/zinc/02/59/77/1067025977.db2.gz LBGAIWHMGVZIQP-LLVKDONJSA-N 0 0 527.202 4.851 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)OC)c(Cl)c1 ZINC000409290323 1066352951 /nfs/dbraw/zinc/35/29/51/1066352951.db2.gz LBGAIWHMGVZIQP-NSHDSACASA-N 0 0 527.202 4.851 40 30 KJEBRN Cc1c(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c2ccccc2n1CC(N)=O ZINC000409290340 1067026010 /nfs/dbraw/zinc/02/60/10/1067026010.db2.gz LESMWZLSPGOFRD-UHFFFAOYSA-N 0 0 503.484 4.713 40 30 KJEBRN O=C(COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409290373 1067025916 /nfs/dbraw/zinc/02/59/16/1067025916.db2.gz SIUJHQMARUGVEO-UHFFFAOYSA-N 0 0 615.952 4.764 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000409290434 1066352894 /nfs/dbraw/zinc/35/28/94/1066352894.db2.gz SURQEOGDIHTLRJ-UHFFFAOYSA-N 0 0 544.564 4.846 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC(=O)OC ZINC000409290448 1066352994 /nfs/dbraw/zinc/35/29/94/1066352994.db2.gz SXEYQCCRDGUYMG-UHFFFAOYSA-N 0 0 642.288 4.894 40 30 KJEBRN C=CCOc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409290459 1067025849 /nfs/dbraw/zinc/02/58/49/1067025849.db2.gz TUPRSZPISYMZNN-UHFFFAOYSA-N 0 0 522.153 4.585 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCC(N)=O ZINC000409290492 1067025960 /nfs/dbraw/zinc/02/59/60/1067025960.db2.gz TZWDWUHKXACSAM-UHFFFAOYSA-N 0 0 537.359 4.871 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000409290508 1067025931 /nfs/dbraw/zinc/02/59/31/1067025931.db2.gz MBUORKMLAJYEFX-UHFFFAOYSA-N 0 0 523.362 4.760 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)c1OCC(=O)OC(C)C ZINC000409290643 1067025431 /nfs/dbraw/zinc/02/54/31/1067025431.db2.gz MRVMQGATRKBEHQ-UHFFFAOYSA-N 0 0 536.810 4.732 40 30 KJEBRN CCOC(=O)[C@H](C)n1c(C)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c2ccccc21 ZINC000409290647 1067025548 /nfs/dbraw/zinc/02/55/48/1067025548.db2.gz MSQFJBDEBPJIFX-INIZCTEOSA-N 0 0 509.404 4.991 40 30 KJEBRN CCOC(=O)[C@@H](C)n1c(C)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c2ccccc21 ZINC000409290648 1067025613 /nfs/dbraw/zinc/02/56/13/1067025613.db2.gz MSQFJBDEBPJIFX-MRXNPFEDSA-N 0 0 509.404 4.991 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000409290668 1067025828 /nfs/dbraw/zinc/02/58/28/1067025828.db2.gz ADKOUWMZLBIYMI-CYBMUJFWSA-N 0 0 503.353 4.698 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000409290669 1067026053 /nfs/dbraw/zinc/02/60/53/1067026053.db2.gz ADKOUWMZLBIYMI-ZDUSSCGKSA-N 0 0 503.353 4.698 40 30 KJEBRN COc1cc(N2CCOCC2)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409290672 1067025948 /nfs/dbraw/zinc/02/59/48/1067025948.db2.gz AEAUVJNKUQIMRF-UHFFFAOYSA-N 0 0 508.500 4.810 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000409290673 1067026124 /nfs/dbraw/zinc/02/61/24/1067026124.db2.gz AEDMLJKVLKTTON-UHFFFAOYSA-N 0 0 598.385 4.677 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCC(=O)N1CCOCC1 ZINC000409290675 1066352908 /nfs/dbraw/zinc/35/29/08/1066352908.db2.gz AFGDZDLATARWCR-UHFFFAOYSA-N 0 0 573.005 4.592 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409290717 1067026109 /nfs/dbraw/zinc/02/61/09/1067026109.db2.gz APZIMOPNDARXPQ-UHFFFAOYSA-N 0 0 708.509 4.941 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1OCC(=O)N1CCOCC1 ZINC000409290721 1067026067 /nfs/dbraw/zinc/02/60/67/1067026067.db2.gz MYRXXZANTAJJJK-UHFFFAOYSA-N 0 0 617.456 4.701 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OC(C)=O ZINC000409290757 1067025419 /nfs/dbraw/zinc/02/54/19/1067025419.db2.gz UXHNJWRJLATNFM-UHFFFAOYSA-N 0 0 506.784 4.926 40 30 KJEBRN C#CCOc1c(Br)c(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409290876 1067025661 /nfs/dbraw/zinc/02/56/61/1067025661.db2.gz NPWZIBCCVCZEBD-UHFFFAOYSA-N 0 0 584.062 4.895 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)Nc1ccccc1C ZINC000409290881 1067025692 /nfs/dbraw/zinc/02/56/92/1067025692.db2.gz NRRQQSVSPXDVSX-UHFFFAOYSA-N 0 0 549.425 4.938 40 30 KJEBRN NC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)cc1[N+](=O)[O-] ZINC000409290921 1067025516 /nfs/dbraw/zinc/02/55/16/1067025516.db2.gz VPXMIRYVMVBIOZ-UHFFFAOYSA-N 0 0 596.781 4.880 40 30 KJEBRN C=CCOc1cc(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409290952 1067025449 /nfs/dbraw/zinc/02/54/49/1067025449.db2.gz VYETYJUXSIBGMN-UHFFFAOYSA-N 0 0 507.182 4.686 40 30 KJEBRN C=CCc1cc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc(OC)c1OCC(N)=O ZINC000409291182 1067025707 /nfs/dbraw/zinc/02/57/07/1067025707.db2.gz WRBUAZLYVDNQCX-UHFFFAOYSA-N 0 0 536.510 4.566 40 30 KJEBRN C#CCOc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409291330 1066351575 /nfs/dbraw/zinc/35/15/75/1066351575.db2.gz AXKWCAUDSXFXST-UHFFFAOYSA-N 0 0 533.220 4.948 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)cc1OC(C)C ZINC000409291335 1066351544 /nfs/dbraw/zinc/35/15/44/1066351544.db2.gz PMEKMBAIWQAKLH-UHFFFAOYSA-N 0 0 509.198 4.908 40 30 KJEBRN O=C(COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1)N1CCOCC1 ZINC000409291363 1067025215 /nfs/dbraw/zinc/02/52/15/1067025215.db2.gz XIQHOWMKVXGILG-UHFFFAOYSA-N 0 0 587.430 4.692 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccccc2)c(OC)c1 ZINC000409291370 1067025232 /nfs/dbraw/zinc/02/52/32/1067025232.db2.gz POADDNCLRCYKFO-UHFFFAOYSA-N 0 0 565.424 4.638 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000409291387 1067025199 /nfs/dbraw/zinc/02/51/99/1067025199.db2.gz BCXYHIMZPIZTRC-UHFFFAOYSA-N 0 0 519.399 4.930 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(Cl)c1 ZINC000409291389 1067025272 /nfs/dbraw/zinc/02/52/72/1067025272.db2.gz CHNRZBWKNUWUMZ-UHFFFAOYSA-N 0 0 506.784 4.587 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCC(=O)OC(C)C ZINC000409291394 1067025246 /nfs/dbraw/zinc/02/52/46/1067025246.db2.gz XKOWFZLNBXAXNK-UHFFFAOYSA-N 0 0 560.445 4.686 40 30 KJEBRN C#CCOc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409291395 1067025016 /nfs/dbraw/zinc/02/50/16/1067025016.db2.gz CIDAWKBVWNFJBZ-UHFFFAOYSA-N 0 0 648.036 4.571 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1OC ZINC000409291420 1067025159 /nfs/dbraw/zinc/02/51/59/1067025159.db2.gz XLNDYRDVBNUDSG-KRWDZBQOSA-N 0 0 527.533 4.649 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1OC ZINC000409291423 1066351535 /nfs/dbraw/zinc/35/15/35/1066351535.db2.gz XLNDYRDVBNUDSG-QGZVFWFLSA-N 0 0 527.533 4.649 40 30 KJEBRN C=CCOc1c(Br)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409291431 1067025630 /nfs/dbraw/zinc/02/56/30/1067025630.db2.gz XLZYPWYBFKQKRQ-UHFFFAOYSA-N 0 0 536.180 4.839 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC#N)c(Br)c1 ZINC000409291462 1067025531 /nfs/dbraw/zinc/02/55/31/1067025531.db2.gz PWVLXAQGWGBDRR-UHFFFAOYSA-N 0 0 524.600 4.922 40 30 KJEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1ccccc1C#N ZINC000409291569 1067025057 /nfs/dbraw/zinc/02/50/57/1067025057.db2.gz QFNZXZGPNMHSBJ-UHFFFAOYSA-N 0 0 503.356 4.809 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c(Br)cc1OCC#N ZINC000409291630 1067025260 /nfs/dbraw/zinc/02/52/60/1067025260.db2.gz QMLLBQLKVDTPJP-UHFFFAOYSA-N 0 0 534.208 4.667 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OCC(=O)N3CCOCC3)c2)cc1C(C)C ZINC000409291638 1067025107 /nfs/dbraw/zinc/02/51/07/1067025107.db2.gz QMVMLBYYDWAGFI-UHFFFAOYSA-N 0 0 554.647 4.624 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1 ZINC000409291706 1067025296 /nfs/dbraw/zinc/02/52/96/1067025296.db2.gz QTVXYAZIWSZWLL-HNNXBMFYSA-N 0 0 500.393 4.669 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1 ZINC000409291709 1067025073 /nfs/dbraw/zinc/02/50/73/1067025073.db2.gz QTVXYAZIWSZWLL-OAHLLOKOSA-N 0 0 500.393 4.669 40 30 KJEBRN COC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc(C(C)C)c(OC)cc1C ZINC000409291728 1067025045 /nfs/dbraw/zinc/02/50/45/1067025045.db2.gz YIZTXPRLZUOPNF-UHFFFAOYSA-N 0 0 544.564 4.846 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OC(C)C ZINC000409291777 1066351588 /nfs/dbraw/zinc/35/15/88/1066351588.db2.gz RABSMYABSJFJOF-UHFFFAOYSA-N 0 0 509.198 4.908 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCC(=O)N4CCOCC4)c([N+](=O)[O-])c3)cc21 ZINC000409291787 1067024773 /nfs/dbraw/zinc/02/47/73/1067024773.db2.gz YOOVLABTOJGLOH-UHFFFAOYSA-N 0 0 662.453 4.609 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)OC)c(I)c1 ZINC000409291790 1067024629 /nfs/dbraw/zinc/02/46/29/1067024629.db2.gz DMXVNLWFMQTBOF-LLVKDONJSA-N 0 0 710.104 4.753 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)OC)c(I)c1 ZINC000409291794 1067025089 /nfs/dbraw/zinc/02/50/89/1067025089.db2.gz DMXVNLWFMQTBOF-NSHDSACASA-N 0 0 710.104 4.753 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409291867 1067025308 /nfs/dbraw/zinc/02/53/08/1067025308.db2.gz RINHQZGSXZVGLP-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Cl)N1CCOCC1 ZINC000409291878 1067025145 /nfs/dbraw/zinc/02/51/45/1067025145.db2.gz YUWVECJAUWHOBX-UHFFFAOYSA-N 0 0 570.955 4.856 40 30 KJEBRN C=CCOc1c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409291898 1067025031 /nfs/dbraw/zinc/02/50/31/1067025031.db2.gz CEPJCWLGMQROHC-UHFFFAOYSA-N 0 0 536.180 4.839 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000409291931 1067024889 /nfs/dbraw/zinc/02/48/89/1067024889.db2.gz CIPOEBADXIUDIX-UHFFFAOYSA-N 0 0 553.388 4.769 40 30 KJEBRN NC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] ZINC000409291946 1067024897 /nfs/dbraw/zinc/02/48/97/1067024897.db2.gz RPYPRTREEGLFDA-UHFFFAOYSA-N 0 0 641.232 4.989 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)ccc1OCC(=O)N1CCOCC1 ZINC000409291950 1067024666 /nfs/dbraw/zinc/02/46/66/1067024666.db2.gz CKSHVZBQTKJIEZ-UHFFFAOYSA-N 0 0 584.673 4.632 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OCC ZINC000409291958 1067024866 /nfs/dbraw/zinc/02/48/66/1067024866.db2.gz RQUUCERMSKBBRE-UHFFFAOYSA-N 0 0 536.810 4.598 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409291968 1066351673 /nfs/dbraw/zinc/35/16/73/1066351673.db2.gz ZAZBHQPVJFQWSA-UHFFFAOYSA-N 0 0 565.424 4.693 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1OC ZINC000409291978 1067024788 /nfs/dbraw/zinc/02/47/88/1067024788.db2.gz RRRZKECPJBJZJR-INIZCTEOSA-N 0 0 589.430 4.880 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1OC ZINC000409291983 1067024876 /nfs/dbraw/zinc/02/48/76/1067024876.db2.gz RRRZKECPJBJZJR-MRXNPFEDSA-N 0 0 589.430 4.880 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1O ZINC000409292015 1067024682 /nfs/dbraw/zinc/02/46/82/1067024682.db2.gz ZELIYDKDYBHPTD-UHFFFAOYSA-N 0 0 560.040 4.979 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409292162 1066351625 /nfs/dbraw/zinc/35/16/25/1066351625.db2.gz CSZLPIAOYBXPML-UHFFFAOYSA-N 0 0 549.179 4.738 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000409292188 1067024654 /nfs/dbraw/zinc/02/46/54/1067024654.db2.gz FRGIBKWTWMUZMB-UHFFFAOYSA-N 0 0 540.454 4.815 40 30 KJEBRN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 ZINC000409292199 1067024909 /nfs/dbraw/zinc/02/49/09/1067024909.db2.gz FRWZQHKPLLSKPG-UHFFFAOYSA-N 0 0 550.369 4.584 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)N2CCOCC2)c(Br)c1 ZINC000409292200 1067024845 /nfs/dbraw/zinc/02/48/45/1067024845.db2.gz ZYEQBIIIVRKKSP-UHFFFAOYSA-N 0 0 671.184 4.927 40 30 KJEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1OC ZINC000409292204 1067024855 /nfs/dbraw/zinc/02/48/55/1067024855.db2.gz ZYPFUDCUEOZMHP-UHFFFAOYSA-N 0 0 547.951 4.914 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409292266 1067024713 /nfs/dbraw/zinc/02/47/13/1067024713.db2.gz SRVYMILEQHCFDJ-UHFFFAOYSA-N 0 0 575.416 4.586 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)Nc1ccccc1F ZINC000409292422 1067024746 /nfs/dbraw/zinc/02/47/46/1067024746.db2.gz SVFRSOSOXZUAFQ-UHFFFAOYSA-N 0 0 509.335 4.506 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1OCC(N)=O ZINC000409292444 1067024817 /nfs/dbraw/zinc/02/48/17/1067024817.db2.gz TUQDJLXQVWBXPE-UHFFFAOYSA-N 0 0 561.392 4.717 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000409292474 1067024802 /nfs/dbraw/zinc/02/48/02/1067024802.db2.gz UBWLXDWXSPXVOY-UHFFFAOYSA-N 0 0 566.431 4.826 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409292476 1067024831 /nfs/dbraw/zinc/02/48/31/1067024831.db2.gz UDYJCZIXTUYWAC-UHFFFAOYSA-N 0 0 678.483 4.933 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1O ZINC000409292514 1067024481 /nfs/dbraw/zinc/02/44/81/1067024481.db2.gz GXAKAIALZXNTPQ-UHFFFAOYSA-N 0 0 515.589 4.870 40 30 KJEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409292606 1066351474 /nfs/dbraw/zinc/35/14/74/1066351474.db2.gz HMGPIPVLKZRVNE-UHFFFAOYSA-N 0 0 539.361 4.515 40 30 KJEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409292628 1067024412 /nfs/dbraw/zinc/02/44/12/1067024412.db2.gz FGLKNEWULFFQGQ-UHFFFAOYSA-N 0 0 523.343 4.845 40 30 KJEBRN Cc1ccccc1NC(=O)COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 ZINC000409292656 1067024375 /nfs/dbraw/zinc/02/43/75/1067024375.db2.gz HVHZZYROMVKYBB-UHFFFAOYSA-N 0 0 505.372 4.676 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 ZINC000409292767 1067024470 /nfs/dbraw/zinc/02/44/70/1067024470.db2.gz VFULFWPQJYRJNC-UHFFFAOYSA-N 0 0 523.362 4.760 40 30 KJEBRN COc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409292772 1067024346 /nfs/dbraw/zinc/02/43/46/1067024346.db2.gz VHWMGURTXXNESA-UHFFFAOYSA-N 0 0 624.014 4.567 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409292773 1067024445 /nfs/dbraw/zinc/02/44/45/1067024445.db2.gz VHZJLAOSWQSSMP-INIZCTEOSA-N 0 0 512.478 4.540 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409292774 1067024458 /nfs/dbraw/zinc/02/44/58/1067024458.db2.gz VHZJLAOSWQSSMP-MRXNPFEDSA-N 0 0 512.478 4.540 40 30 KJEBRN NC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Cl)cc1[N+](=O)[O-] ZINC000409292778 1067024334 /nfs/dbraw/zinc/02/43/34/1067024334.db2.gz VJFZHDQSZGXQNK-UHFFFAOYSA-N 0 0 552.330 4.771 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000409292791 1067024319 /nfs/dbraw/zinc/02/43/19/1067024319.db2.gz VNHOUCFDQGZCNW-UHFFFAOYSA-N 0 0 512.950 4.830 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cccc1[N+](=O)[O-] ZINC000409292799 1067024397 /nfs/dbraw/zinc/02/43/97/1067024397.db2.gz VQLAVCPBRDVWFN-UHFFFAOYSA-N 0 0 532.896 4.805 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Br ZINC000409292804 1066351511 /nfs/dbraw/zinc/35/15/11/1066351511.db2.gz VSQPMVGKXQWGDM-CYBMUJFWSA-N 0 0 551.235 4.867 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Br ZINC000409292805 1066351609 /nfs/dbraw/zinc/35/16/09/1066351609.db2.gz VSQPMVGKXQWGDM-ZDUSSCGKSA-N 0 0 551.235 4.867 40 30 KJEBRN CC(=O)Oc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409292810 1066351527 /nfs/dbraw/zinc/35/15/27/1066351527.db2.gz VTGPJYITHBJLFB-UHFFFAOYSA-N 0 0 507.182 4.852 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)c(Cl)c1Br ZINC000409292831 1066351522 /nfs/dbraw/zinc/35/15/22/1066351522.db2.gz HZKHYGVYIXNZDL-UHFFFAOYSA-N 0 0 587.652 4.580 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1 ZINC000409292839 1067024423 /nfs/dbraw/zinc/02/44/23/1067024423.db2.gz ICPAREFLMCWFED-UHFFFAOYSA-N 0 0 564.396 4.838 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000409292901 1067024504 /nfs/dbraw/zinc/02/45/04/1067024504.db2.gz IQTINENMIYHLLN-UHFFFAOYSA-N 0 0 509.335 4.506 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1 ZINC000409292922 1067024249 /nfs/dbraw/zinc/02/42/49/1067024249.db2.gz VXOXEKCBVWUXFB-UHFFFAOYSA-N 0 0 568.340 4.754 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 ZINC000409292935 1067024360 /nfs/dbraw/zinc/02/43/60/1067024360.db2.gz VYQWFTGPZGQBNN-UHFFFAOYSA-N 0 0 581.379 4.964 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409292936 1067024289 /nfs/dbraw/zinc/02/42/89/1067024289.db2.gz GDKGWWWIVGSUGE-UHFFFAOYSA-N 0 0 608.651 4.675 40 30 KJEBRN Cc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc2n1-c1ccc([N+](=O)[O-])cn1 ZINC000409292939 1067023931 /nfs/dbraw/zinc/02/39/31/1067023931.db2.gz IVZDFTLUFOJWIA-UHFFFAOYSA-N 0 0 517.343 4.905 40 30 KJEBRN C#CCOc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409292941 1067024304 /nfs/dbraw/zinc/02/43/04/1067024304.db2.gz VYSZISUQCGYULQ-UHFFFAOYSA-N 0 0 519.193 4.523 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409292952 1067024275 /nfs/dbraw/zinc/02/42/75/1067024275.db2.gz IYCURXUZFNTTDE-UHFFFAOYSA-N 0 0 539.302 4.607 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OCC ZINC000409292989 1067024261 /nfs/dbraw/zinc/02/42/61/1067024261.db2.gz GHTCQTQGWOBUJB-UHFFFAOYSA-N 0 0 628.261 4.549 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000409293024 1067024433 /nfs/dbraw/zinc/02/44/33/1067024433.db2.gz GQMOXWCEAHGYNW-UHFFFAOYSA-N 0 0 511.307 4.976 40 30 KJEBRN COC(=O)COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1OC ZINC000409293064 1066352061 /nfs/dbraw/zinc/35/20/61/1066352061.db2.gz WNTAPMVHCAUIIJ-UHFFFAOYSA-N 0 0 609.376 4.857 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(OCC(N)=O)c(I)c3)cc21 ZINC000409293084 1066352187 /nfs/dbraw/zinc/35/21/87/1066352187.db2.gz WRFNLZONJDGKGN-UHFFFAOYSA-N 0 0 720.261 4.774 40 30 KJEBRN CC(=O)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409293093 1066352015 /nfs/dbraw/zinc/35/20/15/1066352015.db2.gz WTNZSFMHDUIGCD-UHFFFAOYSA-N 0 0 552.179 4.761 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1OCC(=O)OC ZINC000409293119 1067024018 /nfs/dbraw/zinc/02/40/18/1067024018.db2.gz WYEQMAAYTCVDLO-UHFFFAOYSA-N 0 0 628.261 4.720 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)c1OCC#N ZINC000409293187 1067024047 /nfs/dbraw/zinc/02/40/47/1067024047.db2.gz XEPMBJDRDPPJDO-UHFFFAOYSA-N 0 0 534.208 4.667 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Cl)c1OCC(N)=O ZINC000409293195 1066351966 /nfs/dbraw/zinc/35/19/66/1066351966.db2.gz JOJRITQWUSXUFO-UHFFFAOYSA-N 0 0 546.967 4.617 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCC(=O)OC ZINC000409293218 1067023976 /nfs/dbraw/zinc/02/39/76/1067023976.db2.gz JQVBBONIOLXBAA-UHFFFAOYSA-N 0 0 632.103 4.825 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)cc1OC ZINC000409293291 1067023920 /nfs/dbraw/zinc/02/39/20/1067023920.db2.gz XUAFYFKOBHNXNT-UHFFFAOYSA-N 0 0 536.810 4.769 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1F ZINC000409293317 1067024032 /nfs/dbraw/zinc/02/40/32/1067024032.db2.gz XVMHGAHXASXNTD-UHFFFAOYSA-N 0 0 511.307 4.976 40 30 KJEBRN C=CCOc1cc(Br)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409293321 1066352140 /nfs/dbraw/zinc/35/21/40/1066352140.db2.gz KCFBCJUACAQOHI-UHFFFAOYSA-N 0 0 521.209 4.940 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC000409293334 1067023992 /nfs/dbraw/zinc/02/39/92/1067023992.db2.gz KDINHEUSRAXEBW-UHFFFAOYSA-N 0 0 570.787 4.929 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cccc1OC ZINC000409293337 1067023907 /nfs/dbraw/zinc/02/39/07/1067023907.db2.gz HRVOWEURRJVUNL-UHFFFAOYSA-N 0 0 525.483 4.915 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c(Br)cc1OC ZINC000409293395 1067024005 /nfs/dbraw/zinc/02/40/05/1067024005.db2.gz HZBGHEVJTDMVMJ-UHFFFAOYSA-N 0 0 509.198 4.773 40 30 KJEBRN COC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409293409 1067023849 /nfs/dbraw/zinc/02/38/49/1067023849.db2.gz YHRRYKYJRNIBCP-UHFFFAOYSA-N 0 0 532.896 4.805 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OC(C)=O ZINC000409293412 1067024088 /nfs/dbraw/zinc/02/40/88/1067024088.db2.gz ICSITFWJTBXSBH-UHFFFAOYSA-N 0 0 506.784 4.926 40 30 KJEBRN COC(=O)COc1cc(Br)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409293477 1067023949 /nfs/dbraw/zinc/02/39/49/1067023949.db2.gz YSHAIWYUJHNUFG-UHFFFAOYSA-N 0 0 581.261 4.662 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409293498 1067024119 /nfs/dbraw/zinc/02/41/19/1067024119.db2.gz YTJVCPHDDTWKSG-CYBMUJFWSA-N 0 0 642.288 4.892 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409293501 1067024060 /nfs/dbraw/zinc/02/40/60/1067024060.db2.gz YTJVCPHDDTWKSG-ZDUSSCGKSA-N 0 0 642.288 4.892 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl ZINC000409293587 1067023703 /nfs/dbraw/zinc/02/37/03/1067023703.db2.gz ITWUFFMAIKLGJQ-UHFFFAOYSA-N 0 0 520.811 4.934 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OCC(=O)OC ZINC000409293613 1067023891 /nfs/dbraw/zinc/02/38/91/1067023891.db2.gz ZCTZERCYHULMOK-UHFFFAOYSA-N 0 0 581.261 4.878 40 30 KJEBRN O=C(COc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)N1CCOCC1 ZINC000409293616 1067024102 /nfs/dbraw/zinc/02/41/02/1067024102.db2.gz KZCSMVLXFXKVMF-UHFFFAOYSA-N 0 0 587.430 4.692 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(N)=O)c(OC)c2)cc1C(C)C ZINC000409293663 1067023877 /nfs/dbraw/zinc/02/38/77/1067023877.db2.gz JBVWXQYYMHLPQM-UHFFFAOYSA-N 0 0 528.609 4.649 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(I)c1 ZINC000409293671 1067023567 /nfs/dbraw/zinc/02/35/67/1067023567.db2.gz JCHBVGJZFADEKC-UHFFFAOYSA-N 0 0 598.235 4.539 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)OC)c(Br)c1 ZINC000409293691 1067023486 /nfs/dbraw/zinc/02/34/86/1067023486.db2.gz JEAZDSNLCWTACQ-LLVKDONJSA-N 0 0 571.653 4.960 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)OC)c(Br)c1 ZINC000409293692 1067023594 /nfs/dbraw/zinc/02/35/94/1067023594.db2.gz JEAZDSNLCWTACQ-NSHDSACASA-N 0 0 571.653 4.960 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409293725 1067023636 /nfs/dbraw/zinc/02/36/36/1067023636.db2.gz ZIRDNNZTZQPWKO-UHFFFAOYSA-N 0 0 539.361 4.515 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cccc1[N+](=O)[O-] ZINC000409293740 1067023499 /nfs/dbraw/zinc/02/34/99/1067023499.db2.gz ZMGRTYQANRMJLN-INIZCTEOSA-N 0 0 542.504 4.549 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cccc1[N+](=O)[O-] ZINC000409293741 1067023653 /nfs/dbraw/zinc/02/36/53/1067023653.db2.gz ZMGRTYQANRMJLN-MRXNPFEDSA-N 0 0 542.504 4.549 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000409293772 1066352207 /nfs/dbraw/zinc/35/22/07/1066352207.db2.gz ZWMPEGDFNLCHIS-UHFFFAOYSA-N 0 0 550.369 4.529 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409293775 1067023472 /nfs/dbraw/zinc/02/34/72/1067023472.db2.gz ZYDGBNYBOFWXRA-CYBMUJFWSA-N 0 0 520.811 4.932 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409293776 1067023582 /nfs/dbraw/zinc/02/35/82/1067023582.db2.gz ZYDGBNYBOFWXRA-ZDUSSCGKSA-N 0 0 520.811 4.932 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2C)cc1 ZINC000409293835 1067023455 /nfs/dbraw/zinc/02/34/55/1067023455.db2.gz LXOVXFJNBCCXRU-UHFFFAOYSA-N 0 0 519.399 4.930 40 30 KJEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409293879 1066352046 /nfs/dbraw/zinc/35/20/46/1066352046.db2.gz JRQSBZACVNYLKD-UHFFFAOYSA-N 0 0 567.690 4.972 40 30 KJEBRN CC(C)OC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409293895 1067023661 /nfs/dbraw/zinc/02/36/61/1067023661.db2.gz JVEYVMJGKGZFJX-UHFFFAOYSA-N 0 0 529.435 4.561 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409293933 1067023689 /nfs/dbraw/zinc/02/36/89/1067023689.db2.gz MKGGWTVAALKSCC-UHFFFAOYSA-N 0 0 632.029 4.890 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)c1O[C@H](C)C(=O)OC ZINC000409293968 1067023283 /nfs/dbraw/zinc/02/32/83/1067023283.db2.gz KJMJTNYMUVTJPL-CYBMUJFWSA-N 0 0 581.261 4.705 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)c1O[C@@H](C)C(=O)OC ZINC000409293970 1067023107 /nfs/dbraw/zinc/02/31/07/1067023107.db2.gz KJMJTNYMUVTJPL-ZDUSSCGKSA-N 0 0 581.261 4.705 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000409293973 1067023623 /nfs/dbraw/zinc/02/36/23/1067023623.db2.gz MQOZNGGJSHEJNX-HNNXBMFYSA-N 0 0 540.454 4.813 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000409293984 1067023609 /nfs/dbraw/zinc/02/36/09/1067023609.db2.gz MQOZNGGJSHEJNX-OAHLLOKOSA-N 0 0 540.454 4.813 40 30 KJEBRN O=C(COc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000409294001 1067023676 /nfs/dbraw/zinc/02/36/76/1067023676.db2.gz MUJQIJIHHFPHNW-UHFFFAOYSA-N 0 0 615.406 4.965 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1I ZINC000409294002 1067023711 /nfs/dbraw/zinc/02/37/11/1067023711.db2.gz MUOMXTLGUWOSSA-CYBMUJFWSA-N 0 0 598.235 4.539 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1I ZINC000409294003 1067023552 /nfs/dbraw/zinc/02/35/52/1067023552.db2.gz MUOMXTLGUWOSSA-ZDUSSCGKSA-N 0 0 598.235 4.539 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409294046 1066352070 /nfs/dbraw/zinc/35/20/70/1066352070.db2.gz NEVYIQBLELHTAG-UHFFFAOYSA-N 0 0 512.478 4.542 40 30 KJEBRN C=CCc1cc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc(OCC)c1OCC(N)=O ZINC000409294112 1067030881 /nfs/dbraw/zinc/03/08/81/1067030881.db2.gz LDIMVIUJTSOCCL-UHFFFAOYSA-N 0 0 550.537 4.956 40 30 KJEBRN Cc1ccccc1NC(=O)COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409294196 1067030829 /nfs/dbraw/zinc/03/08/29/1067030829.db2.gz ACHNIDLXKBLNOA-UHFFFAOYSA-N 0 0 550.369 4.584 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1O ZINC000409294205 1067030910 /nfs/dbraw/zinc/03/09/10/1067030910.db2.gz AFSURXVGWMBOSS-UHFFFAOYSA-N 0 0 546.013 4.589 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409294228 1067030723 /nfs/dbraw/zinc/03/07/23/1067030723.db2.gz ANJLSXFVYNJGQX-CYBMUJFWSA-N 0 0 536.810 4.596 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409294229 1067031048 /nfs/dbraw/zinc/03/10/48/1067031048.db2.gz ANJLSXFVYNJGQX-ZDUSSCGKSA-N 0 0 536.810 4.596 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccccc1C#N ZINC000409294231 1067031293 /nfs/dbraw/zinc/03/12/93/1067031293.db2.gz ANRIZJWQGKMLNJ-UHFFFAOYSA-N 0 0 548.353 4.717 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(-c2ccc([N+](=O)[O-])cn2)c2ccccc12 ZINC000409294238 1066352084 /nfs/dbraw/zinc/35/20/84/1066352084.db2.gz AOKSYEZXFZRWKG-UHFFFAOYSA-N 0 0 517.343 4.851 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)N3CCOCC3)c(OC)c2)cc1C(C)C ZINC000409294239 1067031170 /nfs/dbraw/zinc/03/11/70/1067031170.db2.gz AOPSPGQIRYBRNQ-UHFFFAOYSA-N 0 0 614.699 4.641 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c(Br)c1 ZINC000409294243 1067031231 /nfs/dbraw/zinc/03/12/31/1067031231.db2.gz APPLNKDFEHYVJI-UHFFFAOYSA-N 0 0 557.626 4.571 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(I)cc1 ZINC000409294256 1066352102 /nfs/dbraw/zinc/35/21/02/1066352102.db2.gz ATMABBILTRLMKG-UHFFFAOYSA-N 0 0 510.173 4.943 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409294309 1067030685 /nfs/dbraw/zinc/03/06/85/1067030685.db2.gz OHCOEKBWPVAIJX-UHFFFAOYSA-N 0 0 535.398 4.684 40 30 KJEBRN NC(=O)COc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409294315 1067030811 /nfs/dbraw/zinc/03/08/11/1067030811.db2.gz OIBIOGWMJASIPD-UHFFFAOYSA-N 0 0 516.479 4.982 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000409294349 1067030764 /nfs/dbraw/zinc/03/07/64/1067030764.db2.gz AFEMJNQIOHOCDQ-UHFFFAOYSA-N 0 0 568.359 4.668 40 30 KJEBRN COC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409294370 1067030672 /nfs/dbraw/zinc/03/06/72/1067030672.db2.gz OLZFYGUUAWKCGV-UHFFFAOYSA-N 0 0 536.810 4.553 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OC(C)=O)c(I)c1 ZINC000409294373 1067030747 /nfs/dbraw/zinc/03/07/47/1067030747.db2.gz OMDCOLLBEVNZNR-UHFFFAOYSA-N 0 0 666.051 4.738 40 30 KJEBRN C=CCOc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409294375 1067030897 /nfs/dbraw/zinc/03/08/97/1067030897.db2.gz OMFZQSVQBGPLIG-UHFFFAOYSA-N 0 0 568.209 4.918 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409294446 1067030938 /nfs/dbraw/zinc/03/09/38/1067030938.db2.gz OQXKDLPGTXQSBS-CYBMUJFWSA-N 0 0 536.810 4.732 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409294448 1067030779 /nfs/dbraw/zinc/03/07/79/1067030779.db2.gz OQXKDLPGTXQSBS-ZDUSSCGKSA-N 0 0 536.810 4.732 40 30 KJEBRN CCOC(=O)Cn1c(C)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c2ccccc21 ZINC000409294458 1067030863 /nfs/dbraw/zinc/03/08/63/1067030863.db2.gz AQFBJUDHJSYVKA-UHFFFAOYSA-N 0 0 509.404 4.991 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1I)N1CCOCC1 ZINC000409294482 1067030698 /nfs/dbraw/zinc/03/06/98/1067030698.db2.gz OTIIHSZIKJPIEQ-UHFFFAOYSA-N 0 0 634.430 4.534 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1OCC(=O)OC ZINC000409294486 1067030657 /nfs/dbraw/zinc/03/06/57/1067030657.db2.gz ARINESWAXMVZPL-UHFFFAOYSA-N 0 0 525.483 4.915 40 30 KJEBRN C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@@H](C)C(=O)OCC ZINC000409294488 1067030711 /nfs/dbraw/zinc/03/07/11/1067030711.db2.gz ARJNWRQPNREBCR-INIZCTEOSA-N 0 0 542.430 4.671 40 30 KJEBRN C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@H](C)C(=O)OCC ZINC000409294490 1067030951 /nfs/dbraw/zinc/03/09/51/1067030951.db2.gz ARJNWRQPNREBCR-MRXNPFEDSA-N 0 0 542.430 4.671 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000409294596 1067030525 /nfs/dbraw/zinc/03/05/25/1067030525.db2.gz BITMGMPCANWGRA-UHFFFAOYSA-N 0 0 570.787 4.929 40 30 KJEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCC(=O)N1CCOCC1 ZINC000409294611 1066352096 /nfs/dbraw/zinc/35/20/96/1066352096.db2.gz BDLCBCJNULKISZ-UHFFFAOYSA-N 0 0 617.456 4.701 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O)c(Cl)c1Br ZINC000409294623 1067030480 /nfs/dbraw/zinc/03/04/80/1067030480.db2.gz BLKQEMLFUKZKKV-UHFFFAOYSA-N 0 0 515.589 4.734 40 30 KJEBRN C#CCOc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409294636 1067030279 /nfs/dbraw/zinc/03/02/79/1067030279.db2.gz BPNKAIQXCDVSRV-UHFFFAOYSA-N 0 0 527.375 4.658 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 ZINC000409294663 1066352001 /nfs/dbraw/zinc/35/20/01/1066352001.db2.gz BYQQGGHJTLEUIA-UHFFFAOYSA-N 0 0 519.399 4.930 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OCC(=O)OC ZINC000409294677 1067030845 /nfs/dbraw/zinc/03/08/45/1067030845.db2.gz CDTJQRJZOSOZIX-UHFFFAOYSA-N 0 0 587.652 4.716 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C ZINC000409294685 1066352035 /nfs/dbraw/zinc/35/20/35/1066352035.db2.gz BEWGSVSQTWLCIB-UHFFFAOYSA-N 0 0 564.396 4.838 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Cl)cc1[N+](=O)[O-] ZINC000409294709 1067030311 /nfs/dbraw/zinc/03/03/11/1067030311.db2.gz BMAINPHYSWUQBF-UHFFFAOYSA-N 0 0 562.922 4.814 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409294718 1066352114 /nfs/dbraw/zinc/35/21/14/1066352114.db2.gz BODBODHRXBUDMO-INIZCTEOSA-N 0 0 555.509 4.922 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409294719 1067030401 /nfs/dbraw/zinc/03/04/01/1067030401.db2.gz BODBODHRXBUDMO-MRXNPFEDSA-N 0 0 555.509 4.922 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1I)N1CCOCC1 ZINC000409294812 1067030266 /nfs/dbraw/zinc/03/02/66/1067030266.db2.gz CAKYUDKNNAKMCK-UHFFFAOYSA-N 0 0 662.406 4.807 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1OCC(N)=O ZINC000409294841 1067030511 /nfs/dbraw/zinc/03/05/11/1067030511.db2.gz PKQAYGOVUAWQFB-UHFFFAOYSA-N 0 0 561.392 4.717 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(OCC(N)=O)ccc4ccccc43)cc21 ZINC000409294863 1067030416 /nfs/dbraw/zinc/03/04/16/1067030416.db2.gz NCTOWIYGCVBHJZ-UHFFFAOYSA-N 0 0 518.529 4.718 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)c1O[C@H](C)C(=O)OC ZINC000409294902 1066351989 /nfs/dbraw/zinc/35/19/89/1066351989.db2.gz POLJXBWIZGQIPO-CYBMUJFWSA-N 0 0 536.810 4.596 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)c1O[C@@H](C)C(=O)OC ZINC000409294905 1067030358 /nfs/dbraw/zinc/03/03/58/1067030358.db2.gz POLJXBWIZGQIPO-ZDUSSCGKSA-N 0 0 536.810 4.596 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409294910 1066352128 /nfs/dbraw/zinc/35/21/28/1066352128.db2.gz NFLDRBUPHICBSJ-UHFFFAOYSA-N 0 0 553.388 4.905 40 30 KJEBRN COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409294919 1067030431 /nfs/dbraw/zinc/03/04/31/1067030431.db2.gz NGBNOIWSIJRIEJ-UHFFFAOYSA-N 0 0 524.169 4.844 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409294948 1067030465 /nfs/dbraw/zinc/03/04/65/1067030465.db2.gz PUZZRMVWWSVESU-UHFFFAOYSA-N 0 0 600.813 4.937 40 30 KJEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1NC(=O)c1ccccc1 ZINC000409294969 1067030450 /nfs/dbraw/zinc/03/04/50/1067030450.db2.gz PXWNMDMIYHRSFB-UHFFFAOYSA-N 0 0 506.404 4.967 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409295029 1067030295 /nfs/dbraw/zinc/03/02/95/1067030295.db2.gz NMQNZWWOOWBXRZ-GFCCVEGCSA-N 0 0 565.808 4.841 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409295030 1067030342 /nfs/dbraw/zinc/03/03/42/1067030342.db2.gz NMQNZWWOOWBXRZ-LBPRGKRZSA-N 0 0 565.808 4.841 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Br)cc1[N+](=O)[O-] ZINC000409295037 1067030252 /nfs/dbraw/zinc/03/02/52/1067030252.db2.gz CVKFUDGPFOIFBJ-UHFFFAOYSA-N 0 0 607.373 4.923 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c(I)c1 ZINC000409295113 1066352157 /nfs/dbraw/zinc/35/21/57/1066352157.db2.gz CMTSDYZCOOONRF-UHFFFAOYSA-N 0 0 526.172 4.649 40 30 KJEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCC(=O)Nc1ccccc1C ZINC000409295211 1067029849 /nfs/dbraw/zinc/02/98/49/1067029849.db2.gz NQYIPFJQFCKMLV-UHFFFAOYSA-N 0 0 535.398 4.684 40 30 KJEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1I ZINC000409295217 1067029979 /nfs/dbraw/zinc/02/99/79/1067029979.db2.gz NREHOSKGTFCWET-UHFFFAOYSA-N 0 0 598.784 4.814 40 30 KJEBRN Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409295245 1067030036 /nfs/dbraw/zinc/03/00/36/1067030036.db2.gz NVINMLJRIJYCCM-UHFFFAOYSA-N 0 0 550.369 4.584 40 30 KJEBRN C#CCOc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409295246 1067029891 /nfs/dbraw/zinc/02/98/91/1067029891.db2.gz QIUOLVZAFLCQRQ-UHFFFAOYSA-N 0 0 503.740 4.738 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC000409295258 1067029993 /nfs/dbraw/zinc/02/99/93/1067029993.db2.gz DLRUAKJPMQNQKZ-UHFFFAOYSA-N 0 0 539.302 4.607 40 30 KJEBRN O=C(COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409295261 1067029814 /nfs/dbraw/zinc/02/98/14/1067029814.db2.gz QJFCKNNPCDJTGQ-UHFFFAOYSA-N 0 0 660.403 4.873 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409295293 1067030050 /nfs/dbraw/zinc/03/00/50/1067030050.db2.gz DPIUPSAZOUGISV-UHFFFAOYSA-N 0 0 603.031 4.600 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)cc21 ZINC000409295341 1067029907 /nfs/dbraw/zinc/02/99/07/1067029907.db2.gz DIJAAMSLCRXRAL-UHFFFAOYSA-N 0 0 561.598 4.514 40 30 KJEBRN C#CCOc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409295343 1066352447 /nfs/dbraw/zinc/35/24/47/1066352447.db2.gz QPZYZGFSTWCCEI-UHFFFAOYSA-N 0 0 554.036 4.887 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OC(C)=O ZINC000409295345 1067030079 /nfs/dbraw/zinc/03/00/79/1067030079.db2.gz DUEJKMKZMYPVIQ-UHFFFAOYSA-N 0 0 537.208 4.861 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)ccc2OCC(N)=O)cc1C(C)C ZINC000409295355 1067030007 /nfs/dbraw/zinc/03/00/07/1067030007.db2.gz QRAXPDPTEIPSNB-UHFFFAOYSA-N 0 0 519.001 4.904 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)c1OCC ZINC000409295410 1067029832 /nfs/dbraw/zinc/02/98/32/1067029832.db2.gz QSMGSUDJVMMATN-UHFFFAOYSA-N 0 0 509.198 4.910 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409295428 1067029615 /nfs/dbraw/zinc/02/96/15/1067029615.db2.gz QUKQMJNVRSQYJW-UHFFFAOYSA-N 0 0 642.288 4.894 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OC(C)=O ZINC000409295455 1067029643 /nfs/dbraw/zinc/02/96/43/1067029643.db2.gz FIQNWFDCQDGMRZ-UHFFFAOYSA-N 0 0 543.599 4.699 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409295475 1066352877 /nfs/dbraw/zinc/35/28/77/1066352877.db2.gz ORBHYJAYLHMHDR-UHFFFAOYSA-N 0 0 568.340 4.754 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409295489 1067029654 /nfs/dbraw/zinc/02/96/54/1067029654.db2.gz FMBAVWXZLLIKTJ-UHFFFAOYSA-N 0 0 662.453 4.609 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1OC ZINC000409295527 1067029481 /nfs/dbraw/zinc/02/94/81/1067029481.db2.gz FNZPCJAYOCSYQC-UHFFFAOYSA-N 0 0 527.533 4.651 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000409295577 1067029593 /nfs/dbraw/zinc/02/95/93/1067029593.db2.gz FGBKKYWTBWLEST-UHFFFAOYSA-N 0 0 524.375 4.928 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OCC#N ZINC000409295730 1067029444 /nfs/dbraw/zinc/02/94/44/1067029444.db2.gz OZQKBKYZQVTALG-UHFFFAOYSA-N 0 0 542.377 4.842 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000409295766 1067029499 /nfs/dbraw/zinc/02/94/99/1067029499.db2.gz PCJNTEAPSALONE-UHFFFAOYSA-N 0 0 568.359 4.668 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c(Br)cc1O[C@H](C)C(=O)OC ZINC000409295872 1067029630 /nfs/dbraw/zinc/02/96/30/1067029630.db2.gz RUAUFICTFXJVAY-CYBMUJFWSA-N 0 0 581.261 4.705 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c(Br)cc1O[C@@H](C)C(=O)OC ZINC000409295875 1067029698 /nfs/dbraw/zinc/02/96/98/1067029698.db2.gz RUAUFICTFXJVAY-ZDUSSCGKSA-N 0 0 581.261 4.705 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409295923 1067029679 /nfs/dbraw/zinc/02/96/79/1067029679.db2.gz RZIGVRQBVUOBAI-UHFFFAOYSA-N 0 0 538.314 4.745 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409296010 1067029432 /nfs/dbraw/zinc/02/94/32/1067029432.db2.gz GQWVPXSYYUDKGY-UHFFFAOYSA-N 0 0 557.626 4.707 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000409296054 1067029605 /nfs/dbraw/zinc/02/96/05/1067029605.db2.gz GXBIBQHUSDMBSY-UHFFFAOYSA-N 0 0 540.454 4.815 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)N1CCOCC1 ZINC000409296064 1067029546 /nfs/dbraw/zinc/02/95/46/1067029546.db2.gz GXHDDLIDZXHNFY-UHFFFAOYSA-N 0 0 645.432 4.973 40 30 KJEBRN CCOC(=O)COc1ccc2ccccc2c1C=Nn1c(CC)nc2ccc(Br)cc2c1=O ZINC000409296167 1067029100 /nfs/dbraw/zinc/02/91/00/1067029100.db2.gz HIMCFBQJNKUKHG-UHFFFAOYSA-N 0 0 508.372 4.699 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OC)c(I)c1 ZINC000409296202 1067029666 /nfs/dbraw/zinc/02/96/66/1067029666.db2.gz SKHOPAGULSQXJY-UHFFFAOYSA-N 0 0 638.041 4.821 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409296292 1067029580 /nfs/dbraw/zinc/02/95/80/1067029580.db2.gz SSEJQTQEEPKUSO-UHFFFAOYSA-N 0 0 539.302 4.607 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OCC)c(OC)c1 ZINC000409296366 1066353250 /nfs/dbraw/zinc/35/32/50/1066353250.db2.gz QTEDJHRBVILLJP-UHFFFAOYSA-N 0 0 628.261 4.549 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC(N)=O)c(Cl)c3Br)cc21 ZINC000409296397 1067029241 /nfs/dbraw/zinc/02/92/41/1067029241.db2.gz HQXJXFAWNNQUKT-UHFFFAOYSA-N 0 0 611.836 4.989 40 30 KJEBRN C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)OC ZINC000409296402 1067029215 /nfs/dbraw/zinc/02/92/15/1067029215.db2.gz HRQNJDCHYVPNFW-INIZCTEOSA-N 0 0 542.430 4.671 40 30 KJEBRN C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@H](C)C(=O)OC ZINC000409296403 1067029316 /nfs/dbraw/zinc/02/93/16/1067029316.db2.gz HRQNJDCHYVPNFW-MRXNPFEDSA-N 0 0 542.430 4.671 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409296427 1067029119 /nfs/dbraw/zinc/02/91/19/1067029119.db2.gz HYZRPHKCRTXACE-UHFFFAOYSA-N 0 0 557.401 4.939 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2OCC(N)=O)cc1C(C)C ZINC000409296441 1066353216 /nfs/dbraw/zinc/35/32/16/1066353216.db2.gz IEEIPUQKSRJYET-UHFFFAOYSA-N 0 0 543.580 4.549 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1I ZINC000409296442 1066353288 /nfs/dbraw/zinc/35/32/88/1066353288.db2.gz IELJEBQPJJBKHT-CYBMUJFWSA-N 0 0 598.235 4.710 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1I ZINC000409296443 1067029087 /nfs/dbraw/zinc/02/90/87/1067029087.db2.gz IELJEBQPJJBKHT-ZDUSSCGKSA-N 0 0 598.235 4.710 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1OC ZINC000409296470 1067029286 /nfs/dbraw/zinc/02/92/86/1067029286.db2.gz ILGBKNYESVYFEB-UHFFFAOYSA-N 0 0 528.403 4.649 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409296482 1067029188 /nfs/dbraw/zinc/02/91/88/1067029188.db2.gz IMJFQMLTUHGSAT-UHFFFAOYSA-N 0 0 538.314 4.745 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OC)c(OC)c1 ZINC000409296502 1067029256 /nfs/dbraw/zinc/02/92/56/1067029256.db2.gz HVEKEELRFPALLH-UHFFFAOYSA-N 0 0 509.198 4.773 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409296518 1067029133 /nfs/dbraw/zinc/02/91/33/1067029133.db2.gz IBOWVVPYIRPQJS-UHFFFAOYSA-N 0 0 617.058 4.990 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(C)n(CC(=O)N4CCOCC4)c4ccccc34)cc21 ZINC000409296627 1066353440 /nfs/dbraw/zinc/35/34/40/1066353440.db2.gz IUPLRUXAFPCBRI-UHFFFAOYSA-N 0 0 575.625 4.822 40 30 KJEBRN C#CCOc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409296682 1067029152 /nfs/dbraw/zinc/02/91/52/1067029152.db2.gz UXGPCGKXSGKYHV-UHFFFAOYSA-N 0 0 503.740 4.738 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)c(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409296745 1067028809 /nfs/dbraw/zinc/02/88/09/1067028809.db2.gz IWIHGVBPUOYKCM-JTQLQIEISA-N 0 0 632.103 4.824 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)c(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409296747 1066353470 /nfs/dbraw/zinc/35/34/70/1066353470.db2.gz IWIHGVBPUOYKCM-SNVBAGLBSA-N 0 0 632.103 4.824 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409296785 1066353549 /nfs/dbraw/zinc/35/35/49/1066353549.db2.gz JCQGKDVLDCMHLU-INIZCTEOSA-N 0 0 512.478 4.540 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409296787 1067028852 /nfs/dbraw/zinc/02/88/52/1067028852.db2.gz JCQGKDVLDCMHLU-MRXNPFEDSA-N 0 0 512.478 4.540 40 30 KJEBRN CC(=O)Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409296831 1067029271 /nfs/dbraw/zinc/02/92/71/1067029271.db2.gz JJDRHKWMTFSPGO-UHFFFAOYSA-N 0 0 552.179 4.761 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409296835 1067029039 /nfs/dbraw/zinc/02/90/39/1067029039.db2.gz JJRVCDSOHSDLIY-UHFFFAOYSA-N 0 0 565.808 4.842 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCC(=O)OC(C)C ZINC000409296858 1067029227 /nfs/dbraw/zinc/02/92/27/1067029227.db2.gz JACORYIQQWNLGS-UHFFFAOYSA-N 0 0 628.261 4.683 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl ZINC000409296868 1067029301 /nfs/dbraw/zinc/02/93/01/1067029301.db2.gz JLGNPAOQKVFNPH-CYBMUJFWSA-N 0 0 520.811 4.932 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl ZINC000409296870 1067029055 /nfs/dbraw/zinc/02/90/55/1067029055.db2.gz JLGNPAOQKVFNPH-ZDUSSCGKSA-N 0 0 520.811 4.932 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(I)c1OCC(N)=O ZINC000409296939 1067028746 /nfs/dbraw/zinc/02/87/46/1067028746.db2.gz UYZALDSKSLWUMV-UHFFFAOYSA-N 0 0 673.261 4.932 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000409296961 1067028899 /nfs/dbraw/zinc/02/88/99/1067028899.db2.gz JNSVGXUYSHQDJF-UHFFFAOYSA-N 0 0 536.382 4.920 40 30 KJEBRN Cc1ccc(NC(=O)COc2ccc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)cc2)cc1 ZINC000409296986 1067028794 /nfs/dbraw/zinc/02/87/94/1067028794.db2.gz VHRRWNZNONLOFY-UHFFFAOYSA-N 0 0 505.372 4.676 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc2c(cc1Br)OCO2 ZINC000409297019 1066353414 /nfs/dbraw/zinc/35/34/14/1066353414.db2.gz JYBXIMHOKSDCMD-UHFFFAOYSA-N 0 0 507.182 4.830 40 30 KJEBRN C#CCOc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409297071 1066353236 /nfs/dbraw/zinc/35/32/36/1066353236.db2.gz JROGPRSULKXEGA-UHFFFAOYSA-N 0 0 507.468 4.994 40 30 KJEBRN C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)OCC ZINC000409297074 1067028638 /nfs/dbraw/zinc/02/86/38/1067028638.db2.gz VVYYABZZNKGUKG-UHFFFAOYSA-N 0 0 542.430 4.673 40 30 KJEBRN COC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2c(cccc2OC)o1 ZINC000409297084 1067028621 /nfs/dbraw/zinc/02/86/21/1067028621.db2.gz JSIAJFWXHXKMEX-GOSISDBHSA-N 0 0 540.576 4.707 40 30 KJEBRN COC(=O)[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2c(cccc2OC)o1 ZINC000409297086 1067028882 /nfs/dbraw/zinc/02/88/82/1067028882.db2.gz JSIAJFWXHXKMEX-SFHVURJKSA-N 0 0 540.576 4.707 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c(OC)c1 ZINC000409297091 1067028761 /nfs/dbraw/zinc/02/87/61/1067028761.db2.gz VXAJJGZYFCVEDX-UHFFFAOYSA-N 0 0 524.331 4.708 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1CC ZINC000409297107 1067028719 /nfs/dbraw/zinc/02/87/19/1067028719.db2.gz JVNRUDVODHVERB-CYBMUJFWSA-N 0 0 506.784 4.587 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1CC ZINC000409297108 1067028769 /nfs/dbraw/zinc/02/87/69/1067028769.db2.gz JVNRUDVODHVERB-ZDUSSCGKSA-N 0 0 506.784 4.587 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(N)=O ZINC000409297140 1066353376 /nfs/dbraw/zinc/35/33/76/1066353376.db2.gz SBEFCXSWRDQPQV-UHFFFAOYSA-N 0 0 575.341 4.600 40 30 KJEBRN O=C(COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Cl)N1CCOCC1 ZINC000409297200 1066353503 /nfs/dbraw/zinc/35/35/03/1066353503.db2.gz SKSNHRJHBLANCA-UHFFFAOYSA-N 0 0 543.451 4.871 40 30 KJEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000409297214 1067028655 /nfs/dbraw/zinc/02/86/55/1067028655.db2.gz KQNHEAOZPGLCNE-UHFFFAOYSA-N 0 0 574.590 4.855 40 30 KJEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409297220 1067028780 /nfs/dbraw/zinc/02/87/80/1067028780.db2.gz SOIHQDJYTNUFPB-UHFFFAOYSA-N 0 0 606.521 4.810 40 30 KJEBRN N#CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I ZINC000409297263 1067028671 /nfs/dbraw/zinc/02/86/71/1067028671.db2.gz SXXZJTOJSBICIE-UHFFFAOYSA-N 0 0 512.351 4.833 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409297288 1067028866 /nfs/dbraw/zinc/02/88/66/1067028866.db2.gz KEBXUHWCYXYQTN-UHFFFAOYSA-N 0 0 596.232 4.561 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)Nc1ccccc1 ZINC000409297297 1067028733 /nfs/dbraw/zinc/02/87/33/1067028733.db2.gz KEQSHPLNJOMCPV-UHFFFAOYSA-N 0 0 548.441 4.687 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OC(C)=O ZINC000409297307 1066353515 /nfs/dbraw/zinc/35/35/15/1066353515.db2.gz VZTNQWHFINEEKT-UHFFFAOYSA-N 0 0 531.363 4.571 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409297320 1067038186 /nfs/dbraw/zinc/03/81/86/1067038186.db2.gz KGCKHGBVHPFOMS-UHFFFAOYSA-N 0 0 645.432 4.973 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2OCC(N)=O)cc1C(C)C ZINC000409297331 1067038013 /nfs/dbraw/zinc/03/80/13/1067038013.db2.gz WFZJNRNNQXMCJU-UHFFFAOYSA-N 0 0 541.652 4.706 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OC(C)C)c([N+](=O)[O-])c1 ZINC000409297360 1067038518 /nfs/dbraw/zinc/03/85/18/1067038518.db2.gz KJCBLEJHVDRFHL-UHFFFAOYSA-N 0 0 524.169 4.808 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000409297402 1066353454 /nfs/dbraw/zinc/35/34/54/1066353454.db2.gz LAFAJOOSDDMADE-UHFFFAOYSA-N 0 0 566.408 4.929 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 ZINC000409297447 1067038545 /nfs/dbraw/zinc/03/85/45/1067038545.db2.gz KQJNWNHPBPRORM-UHFFFAOYSA-N 0 0 537.326 4.566 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1)N1CCOCC1 ZINC000409297454 1067038557 /nfs/dbraw/zinc/03/85/57/1067038557.db2.gz LDSPVVKVNPGUSH-UHFFFAOYSA-N 0 0 587.430 4.692 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1OCC(=O)N1CCOCC1 ZINC000409297577 1067038123 /nfs/dbraw/zinc/03/81/23/1067038123.db2.gz LOQSDKGYKHTMRI-UHFFFAOYSA-N 0 0 617.456 4.701 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1 ZINC000409297628 1067038148 /nfs/dbraw/zinc/03/81/48/1067038148.db2.gz UKNSMSHBYQKRSW-UHFFFAOYSA-N 0 0 594.422 4.982 40 30 KJEBRN Cc1ccc(NC(=O)COc2ccc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)cc2[N+](=O)[O-])cc1 ZINC000409297646 1067038094 /nfs/dbraw/zinc/03/80/94/1067038094.db2.gz UOCYEQIFDLJPQL-UHFFFAOYSA-N 0 0 550.369 4.584 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000409297655 1067038137 /nfs/dbraw/zinc/03/81/37/1067038137.db2.gz UQNKTGVAROHMFQ-UHFFFAOYSA-N 0 0 517.380 4.945 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409297666 1067037995 /nfs/dbraw/zinc/03/79/95/1067037995.db2.gz UTLWFMJLOSWKHI-GFCCVEGCSA-N 0 0 565.808 4.841 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC000409297667 1067038162 /nfs/dbraw/zinc/03/81/62/1067038162.db2.gz UTLWFMJLOSWKHI-LBPRGKRZSA-N 0 0 565.808 4.841 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(I)c1OCC#N ZINC000409297756 1067038235 /nfs/dbraw/zinc/03/82/35/1067038235.db2.gz XIQAMBQBHPVFBD-UHFFFAOYSA-N 0 0 581.208 4.509 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Cl)c1OCC(=O)OC ZINC000409297762 1067038078 /nfs/dbraw/zinc/03/80/78/1067038078.db2.gz MHWVLRMCFNXSCK-UHFFFAOYSA-N 0 0 601.679 4.970 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000409297884 1067038064 /nfs/dbraw/zinc/03/80/64/1067038064.db2.gz XXYJDXPWSLXREW-UHFFFAOYSA-N 0 0 507.388 4.798 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccccc2C#N)c([N+](=O)[O-])c1 ZINC000409297887 1067037982 /nfs/dbraw/zinc/03/79/82/1067037982.db2.gz LLNPVDPRHNFQCZ-UHFFFAOYSA-N 0 0 518.327 4.709 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)c(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409297910 1067038049 /nfs/dbraw/zinc/03/80/49/1067038049.db2.gz MYAYOERAWIRAQZ-JTQLQIEISA-N 0 0 587.652 4.714 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)c(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409297913 1067037969 /nfs/dbraw/zinc/03/79/69/1067037969.db2.gz MYAYOERAWIRAQZ-SNVBAGLBSA-N 0 0 587.652 4.714 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1OC ZINC000409297954 1067038251 /nfs/dbraw/zinc/03/82/51/1067038251.db2.gz LRUILVKMMPEJBF-UHFFFAOYSA-N 0 0 527.533 4.651 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(Br)c1 ZINC000409298004 1067038110 /nfs/dbraw/zinc/03/81/10/1067038110.db2.gz VEUIHVCOIZFXMU-UHFFFAOYSA-N 0 0 551.235 4.697 40 30 KJEBRN CCOc1c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC ZINC000409298102 1067037589 /nfs/dbraw/zinc/03/75/89/1067037589.db2.gz NHWIAZFFBHADNV-UHFFFAOYSA-N 0 0 509.198 4.773 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1I ZINC000409298143 1067038035 /nfs/dbraw/zinc/03/80/35/1067038035.db2.gz YIGZWAHKGUERGB-UHFFFAOYSA-N 0 0 609.376 4.857 40 30 KJEBRN COC(=O)COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1OC ZINC000409298179 1066353391 /nfs/dbraw/zinc/35/33/91/1066353391.db2.gz MHUFESFMOJWNKP-UHFFFAOYSA-N 0 0 639.402 4.866 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccccc2C)c([N+](=O)[O-])c1 ZINC000409298199 1067037860 /nfs/dbraw/zinc/03/78/60/1067037860.db2.gz YQCAMADQKZQQFB-UHFFFAOYSA-N 0 0 594.422 4.846 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1O[C@@H](C)C(=O)OC ZINC000409298245 1067037787 /nfs/dbraw/zinc/03/77/87/1067037787.db2.gz WDYHWHAVULXHHX-HNNXBMFYSA-N 0 0 530.419 4.678 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409298246 1067037845 /nfs/dbraw/zinc/03/78/45/1067037845.db2.gz NZLNUQXBANJRBS-INIZCTEOSA-N 0 0 525.483 4.913 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1O[C@H](C)C(=O)OC ZINC000409298249 1067037618 /nfs/dbraw/zinc/03/76/18/1067037618.db2.gz WDYHWHAVULXHHX-OAHLLOKOSA-N 0 0 530.419 4.678 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409298250 1067037657 /nfs/dbraw/zinc/03/76/57/1067037657.db2.gz NZLNUQXBANJRBS-MRXNPFEDSA-N 0 0 525.483 4.913 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)Nc1ccccc1F ZINC000409298251 1066353404 /nfs/dbraw/zinc/35/34/04/1066353404.db2.gz MLZVUQITYVGUSH-UHFFFAOYSA-N 0 0 553.388 4.769 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1OCC(=O)OC(C)C ZINC000409298282 1067037669 /nfs/dbraw/zinc/03/76/69/1067037669.db2.gz YVMSJVYNCPTSAM-UHFFFAOYSA-N 0 0 516.392 4.504 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(Br)c1 ZINC000409298316 1067037688 /nfs/dbraw/zinc/03/76/88/1067037688.db2.gz MQXHWTSZBAGNNO-UHFFFAOYSA-N 0 0 640.760 4.992 40 30 KJEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCC(=O)N1CCOCC1 ZINC000409298334 1067037571 /nfs/dbraw/zinc/03/75/71/1067037571.db2.gz MTIAEPZPCSBKNR-UHFFFAOYSA-N 0 0 701.210 4.765 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000409298357 1067037632 /nfs/dbraw/zinc/03/76/32/1067037632.db2.gz ZEQZFEJLINEGNP-UHFFFAOYSA-N 0 0 583.414 4.777 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409298394 1066353357 /nfs/dbraw/zinc/35/33/57/1066353357.db2.gz MZBLAGWHNYROFA-UHFFFAOYSA-N 0 0 537.374 4.765 40 30 KJEBRN COC(=O)c1cccc(-n2c(C)cc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)c2C)c1C ZINC000409298403 1067037724 /nfs/dbraw/zinc/03/77/24/1067037724.db2.gz WRCXRVYUUFONIL-UHFFFAOYSA-N 0 0 507.388 4.852 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1O[C@@H](C)C(=O)OC ZINC000409298441 1067037705 /nfs/dbraw/zinc/03/77/05/1067037705.db2.gz NDRMTZXYKKFLIH-INIZCTEOSA-N 0 0 542.430 4.842 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1O[C@H](C)C(=O)OC ZINC000409298443 1067037816 /nfs/dbraw/zinc/03/78/16/1067037816.db2.gz NDRMTZXYKKFLIH-MRXNPFEDSA-N 0 0 542.430 4.842 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OC(C)=O ZINC000409298486 1067037244 /nfs/dbraw/zinc/03/72/44/1067037244.db2.gz OEPSKDIGYUNOGW-UHFFFAOYSA-N 0 0 526.427 4.807 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)Nc1ccccc1C ZINC000409298487 1067037336 /nfs/dbraw/zinc/03/73/36/1067037336.db2.gz OFAXCKNTSCBOTQ-UHFFFAOYSA-N 0 0 565.424 4.693 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409298577 1067037350 /nfs/dbraw/zinc/03/73/50/1067037350.db2.gz OTQKRTJCGMATSE-UHFFFAOYSA-N 0 0 542.504 4.551 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000409298624 1067037191 /nfs/dbraw/zinc/03/71/91/1067037191.db2.gz PFKRLLWNIFGQDC-HNNXBMFYSA-N 0 0 557.401 4.937 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000409298625 1067037364 /nfs/dbraw/zinc/03/73/64/1067037364.db2.gz PFKRLLWNIFGQDC-OAHLLOKOSA-N 0 0 557.401 4.937 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OC(C)=O)c(OC)c3)cc21 ZINC000409298626 1067037754 /nfs/dbraw/zinc/03/77/54/1067037754.db2.gz PFTIGSUFONYUMW-UHFFFAOYSA-N 0 0 513.506 4.643 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409298701 1067037307 /nfs/dbraw/zinc/03/73/07/1067037307.db2.gz NXNNBAZMPPIDPJ-INIZCTEOSA-N 0 0 529.435 4.561 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409298703 1066353484 /nfs/dbraw/zinc/35/34/84/1066353484.db2.gz NXNNBAZMPPIDPJ-MRXNPFEDSA-N 0 0 529.435 4.561 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2OCC(=O)N2CCOCC2)cc1C(C)C ZINC000409298764 1067037438 /nfs/dbraw/zinc/03/74/38/1067037438.db2.gz XNZFCUQGLZSJAO-UHFFFAOYSA-N 0 0 597.716 4.690 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cccc1OC ZINC000409298877 1066353308 /nfs/dbraw/zinc/35/33/08/1066353308.db2.gz PVKPGQAHXSOZOC-HNNXBMFYSA-N 0 0 516.392 4.504 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cccc1OC ZINC000409298878 1067037413 /nfs/dbraw/zinc/03/74/13/1067037413.db2.gz PVKPGQAHXSOZOC-OAHLLOKOSA-N 0 0 516.392 4.504 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(I)c1OCC(N)=O ZINC000409298891 1067037377 /nfs/dbraw/zinc/03/73/77/1067037377.db2.gz PYXCPXVMYZDRKY-UHFFFAOYSA-N 0 0 638.418 4.568 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409298974 1067037277 /nfs/dbraw/zinc/03/72/77/1067037277.db2.gz OYCMCTUJUPJKBF-AWEZNQCLSA-N 0 0 575.416 4.586 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409298975 1067037426 /nfs/dbraw/zinc/03/74/26/1067037426.db2.gz OYCMCTUJUPJKBF-CQSZACIVSA-N 0 0 575.416 4.586 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cccc1OC ZINC000409298980 1067037204 /nfs/dbraw/zinc/03/72/04/1067037204.db2.gz OZCDXKNFFXDPSJ-UHFFFAOYSA-N 0 0 511.456 4.525 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCC#N ZINC000409298988 1066353427 /nfs/dbraw/zinc/35/34/27/1066353427.db2.gz YEOYIKRGIDUNGS-UHFFFAOYSA-N 0 0 585.050 4.786 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OC ZINC000409298994 1067037260 /nfs/dbraw/zinc/03/72/60/1067037260.db2.gz YFCXVCCKRHSTLK-CYBMUJFWSA-N 0 0 536.810 4.596 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OC ZINC000409298997 1066353823 /nfs/dbraw/zinc/35/38/23/1066353823.db2.gz YFCXVCCKRHSTLK-ZDUSSCGKSA-N 0 0 536.810 4.596 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1OC ZINC000409299012 1067037400 /nfs/dbraw/zinc/03/74/00/1067037400.db2.gz QLZZPFUJBCEGOA-UHFFFAOYSA-N 0 0 550.837 4.943 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409299083 1067037030 /nfs/dbraw/zinc/03/70/30/1067037030.db2.gz YKWWARLSYHRHLN-HNNXBMFYSA-N 0 0 589.443 4.976 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409299085 1067036869 /nfs/dbraw/zinc/03/68/69/1067036869.db2.gz YKWWARLSYHRHLN-OAHLLOKOSA-N 0 0 589.443 4.976 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(N)=O ZINC000409299110 1066353709 /nfs/dbraw/zinc/35/37/09/1066353709.db2.gz YNWRCNKHGDNAHC-UHFFFAOYSA-N 0 0 581.810 4.981 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc2c(c1)OCO2 ZINC000409299157 1067036809 /nfs/dbraw/zinc/03/68/09/1067036809.db2.gz YTYLPQPKNNMGQA-UHFFFAOYSA-N 0 0 549.425 4.977 40 30 KJEBRN O=C(COc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1)N1CCOCC1 ZINC000409299184 1067037219 /nfs/dbraw/zinc/03/72/19/1067037219.db2.gz YXIGSKCBCAJEPT-UHFFFAOYSA-N 0 0 524.621 4.717 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)N2CCOCC2)c(I)c1 ZINC000409299211 1067037388 /nfs/dbraw/zinc/03/73/88/1067037388.db2.gz RIBDASZFPKSTJJ-UHFFFAOYSA-N 0 0 765.184 4.611 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409299221 1066353745 /nfs/dbraw/zinc/35/37/45/1066353745.db2.gz ZEIJIIZXPIPLAW-CYBMUJFWSA-N 0 0 581.261 4.705 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409299222 1066353846 /nfs/dbraw/zinc/35/38/46/1066353846.db2.gz ZEIJIIZXPIPLAW-ZDUSSCGKSA-N 0 0 581.261 4.705 40 30 KJEBRN CCOc1cc(C=Nn2c(-c3cc(C(C)C)c(OC)cc3C)nc3ccccc3c2=O)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409299226 1067037017 /nfs/dbraw/zinc/03/70/17/1067037017.db2.gz RKDOJBHSKATUNB-UHFFFAOYSA-N 0 0 573.606 4.557 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1OC ZINC000409299282 1067036791 /nfs/dbraw/zinc/03/67/91/1067036791.db2.gz ZFNAKTWHTGHVGI-KRWDZBQOSA-N 0 0 527.533 4.649 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1OC ZINC000409299285 1067036838 /nfs/dbraw/zinc/03/68/38/1067036838.db2.gz ZFNAKTWHTGHVGI-QGZVFWFLSA-N 0 0 527.533 4.649 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@@H](C)C(=O)OC)ccc2ccccc21 ZINC000409299289 1067036970 /nfs/dbraw/zinc/03/69/70/1067036970.db2.gz RYJSOZIWAKBEKM-HNNXBMFYSA-N 0 0 508.372 4.697 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@H](C)C(=O)OC)ccc2ccccc21 ZINC000409299293 1067037059 /nfs/dbraw/zinc/03/70/59/1067037059.db2.gz RYJSOZIWAKBEKM-OAHLLOKOSA-N 0 0 508.372 4.697 40 30 KJEBRN CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(OCC(=O)N2CCOCC2)c1 ZINC000409299339 1067036937 /nfs/dbraw/zinc/03/69/37/1067036937.db2.gz PVRMLNLTXASVID-UHFFFAOYSA-N 0 0 586.048 4.649 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000409299397 1067036994 /nfs/dbraw/zinc/03/69/94/1067036994.db2.gz ZQJGPUXLCIALOA-UHFFFAOYSA-N 0 0 512.478 4.542 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)c(Cl)c1OCC(N)=O ZINC000409299403 1066353962 /nfs/dbraw/zinc/35/39/62/1066353962.db2.gz QCOMWQSUQJHYAZ-UHFFFAOYSA-N 0 0 547.837 4.615 40 30 KJEBRN CCOc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1I ZINC000409299419 1067036920 /nfs/dbraw/zinc/03/69/20/1067036920.db2.gz SNPMLVGMHHVNKW-UHFFFAOYSA-N 0 0 526.172 4.607 40 30 KJEBRN O=C(COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1)N1CCOCC1 ZINC000409299461 1067036984 /nfs/dbraw/zinc/03/69/84/1067036984.db2.gz SSCHSILRENSKOC-UHFFFAOYSA-N 0 0 587.902 4.980 40 30 KJEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCC(=O)Nc1ccccc1F ZINC000409299510 1067036822 /nfs/dbraw/zinc/03/68/22/1067036822.db2.gz SUEOFTHHMHHEJR-UHFFFAOYSA-N 0 0 539.361 4.515 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1OCC(N)=O ZINC000409299604 1066353876 /nfs/dbraw/zinc/35/38/76/1066353876.db2.gz UKAOJWUFYNPQDX-UHFFFAOYSA-N 0 0 516.941 4.608 40 30 KJEBRN NC(=O)COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409299610 1067036887 /nfs/dbraw/zinc/03/68/87/1067036887.db2.gz QZHXRPAZJOTPRM-UHFFFAOYSA-N 0 0 507.333 4.863 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC000409299704 1067036442 /nfs/dbraw/zinc/03/64/42/1067036442.db2.gz RUHBVRWYIJLVKO-UHFFFAOYSA-N 0 0 596.309 4.883 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000409299725 1066353939 /nfs/dbraw/zinc/35/39/39/1066353939.db2.gz UUXFQRVXQDKHIX-UHFFFAOYSA-N 0 0 579.451 4.947 40 30 KJEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1I ZINC000409299751 1066353986 /nfs/dbraw/zinc/35/39/86/1066353986.db2.gz VCRWHCZSUFGPSX-UHFFFAOYSA-N 0 0 643.235 4.923 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1C#N ZINC000409299760 1067036426 /nfs/dbraw/zinc/03/64/26/1067036426.db2.gz VERIFXAKRHUBJU-UHFFFAOYSA-N 0 0 518.327 4.709 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409299780 1067036528 /nfs/dbraw/zinc/03/65/28/1067036528.db2.gz RXTKMVJVXMLZMJ-KRWDZBQOSA-N 0 0 526.505 4.931 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409299782 1067036539 /nfs/dbraw/zinc/03/65/39/1067036539.db2.gz RXTKMVJVXMLZMJ-QGZVFWFLSA-N 0 0 526.505 4.931 40 30 KJEBRN COC(=O)COc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409299838 1066353726 /nfs/dbraw/zinc/35/37/26/1066353726.db2.gz VSYFQEGNHCRLSV-UHFFFAOYSA-N 0 0 628.261 4.504 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(C)n(-c4ccc(OCC(N)=O)cc4)c3C)cc21 ZINC000409299875 1067036500 /nfs/dbraw/zinc/03/65/00/1067036500.db2.gz SONFLRBWJMAAOL-UHFFFAOYSA-N 0 0 561.598 4.972 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1OC(C)=O ZINC000409299977 1067036557 /nfs/dbraw/zinc/03/65/57/1067036557.db2.gz WLKPTOQZZARXIX-UHFFFAOYSA-N 0 0 512.478 4.924 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC#N ZINC000409300000 1067036487 /nfs/dbraw/zinc/03/64/87/1067036487.db2.gz TVVDDALQGKRSAZ-UHFFFAOYSA-N 0 0 503.784 4.903 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409300006 1067036623 /nfs/dbraw/zinc/03/66/23/1067036623.db2.gz TWGDLGBOZOOYDT-UHFFFAOYSA-N 0 0 597.510 4.725 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OC ZINC000409300027 1067036638 /nfs/dbraw/zinc/03/66/38/1067036638.db2.gz UAEFIKMSGDEZNS-UHFFFAOYSA-N 0 0 515.589 4.783 40 30 KJEBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1C ZINC000409300086 1066353862 /nfs/dbraw/zinc/35/38/62/1066353862.db2.gz UNOHTJNYDUKZJU-UHFFFAOYSA-N 0 0 510.348 4.674 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409300101 1067036027 /nfs/dbraw/zinc/03/60/27/1067036027.db2.gz UTOSUKPOGFPIBP-UHFFFAOYSA-N 0 0 575.416 4.802 40 30 KJEBRN COc1cc(Br)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409300154 1066353808 /nfs/dbraw/zinc/35/38/08/1066353808.db2.gz XIHPQQBGGZYWJR-UHFFFAOYSA-N 0 0 509.198 4.944 40 30 KJEBRN CC(C)OC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409300176 1067036607 /nfs/dbraw/zinc/03/66/07/1067036607.db2.gz UXJQTOZVQGGPPI-UHFFFAOYSA-N 0 0 545.390 4.577 40 30 KJEBRN C#CCOc1c(I)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1I ZINC000409300191 1066353762 /nfs/dbraw/zinc/35/37/62/1066353762.db2.gz XQIBZNYRUHOVEU-UHFFFAOYSA-N 0 0 662.063 4.825 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OC(C)=O ZINC000409300215 1067036571 /nfs/dbraw/zinc/03/65/71/1067036571.db2.gz VFMHBQMUCJPAOI-UHFFFAOYSA-N 0 0 537.208 4.861 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409300245 1067036303 /nfs/dbraw/zinc/03/63/03/1067036303.db2.gz VJVKARACMVFDQN-HNNXBMFYSA-N 0 0 560.445 4.686 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409300247 1067036053 /nfs/dbraw/zinc/03/60/53/1067036053.db2.gz VJVKARACMVFDQN-OAHLLOKOSA-N 0 0 560.445 4.686 40 30 KJEBRN CCOc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Br)cc1[N+](=O)[O-] ZINC000409300263 1067036232 /nfs/dbraw/zinc/03/62/32/1067036232.db2.gz VLALKPGVOOXARR-UHFFFAOYSA-N 0 0 524.169 4.673 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)ccc3OCC(=O)N3CCOCC3)cc21 ZINC000409300294 1066353914 /nfs/dbraw/zinc/35/39/14/1066353914.db2.gz VWGGYPBBRPIJBX-UHFFFAOYSA-N 0 0 617.456 4.701 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OCC)c(OC)c1 ZINC000409300338 1067036205 /nfs/dbraw/zinc/03/62/05/1067036205.db2.gz VZULFQZBVCGMSI-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000409300377 1067036220 /nfs/dbraw/zinc/03/62/20/1067036220.db2.gz WGFNUZNHSHMREJ-UHFFFAOYSA-N 0 0 570.480 4.823 40 30 KJEBRN Cc1ccc(NC(=O)COc2ccccc2C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 ZINC000409300437 1067036170 /nfs/dbraw/zinc/03/61/70/1067036170.db2.gz WQDYCTSWIGCVRH-UHFFFAOYSA-N 0 0 505.372 4.676 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(I)c1OCC(N)=O ZINC000409300466 1067036136 /nfs/dbraw/zinc/03/61/36/1067036136.db2.gz WUYLDTSOIKUODP-UHFFFAOYSA-N 0 0 636.368 4.832 40 30 KJEBRN C=CCc1cc(C=Nn2c(-c3cc4c(cccc4OC)o3)nc3ccccc3c2=O)cc(OC)c1OCC(=O)OC ZINC000409300602 1067036286 /nfs/dbraw/zinc/03/62/86/1067036286.db2.gz XIEOLYQAQCZLSD-UHFFFAOYSA-N 0 0 553.571 4.989 40 30 KJEBRN COC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409300657 1067036152 /nfs/dbraw/zinc/03/61/52/1067036152.db2.gz XXMSTGYBAYEIPJ-UHFFFAOYSA-N 0 0 532.896 4.805 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1OCC(=O)N1CCOCC1 ZINC000409300666 1066353886 /nfs/dbraw/zinc/35/38/86/1066353886.db2.gz XZPIZZVVTPYOPT-UHFFFAOYSA-N 0 0 580.563 4.601 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000409300676 1067036189 /nfs/dbraw/zinc/03/61/89/1067036189.db2.gz YCFCLMWKVVGZDN-HNNXBMFYSA-N 0 0 512.950 4.828 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000409300677 1067036039 /nfs/dbraw/zinc/03/60/39/1067036039.db2.gz YCFCLMWKVVGZDN-OAHLLOKOSA-N 0 0 512.950 4.828 40 30 KJEBRN COC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409300718 1067036119 /nfs/dbraw/zinc/03/61/19/1067036119.db2.gz AJTHMCSMQNXWLT-UHFFFAOYSA-N 0 0 541.446 4.707 40 30 KJEBRN NC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br ZINC000409300752 1067036106 /nfs/dbraw/zinc/03/61/06/1067036106.db2.gz ASUVUSOUJJBJQV-UHFFFAOYSA-N 0 0 562.262 4.716 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OCC)c(OCC)c1 ZINC000409300770 1067036065 /nfs/dbraw/zinc/03/60/65/1067036065.db2.gz BCJDTAKRDYKGHG-UHFFFAOYSA-N 0 0 550.837 4.988 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(CC(=O)OCC)c2ccccc12 ZINC000409300778 1067036276 /nfs/dbraw/zinc/03/62/76/1067036276.db2.gz BFJGBHKJRVEBPR-UHFFFAOYSA-N 0 0 509.404 4.902 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2F)c(OC)c1 ZINC000409300885 1067035709 /nfs/dbraw/zinc/03/57/09/1067035709.db2.gz AUAZCTDFLUKNKI-UHFFFAOYSA-N 0 0 553.388 4.769 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2c(cccc2OC)o1 ZINC000409300893 1067035824 /nfs/dbraw/zinc/03/58/24/1067035824.db2.gz YRKQWRCUQGARFV-KRWDZBQOSA-N 0 0 556.531 4.939 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2c(cccc2OC)o1 ZINC000409300896 1067036080 /nfs/dbraw/zinc/03/60/80/1067036080.db2.gz YRKQWRCUQGARFV-QGZVFWFLSA-N 0 0 556.531 4.939 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409300899 1067036245 /nfs/dbraw/zinc/03/62/45/1067036245.db2.gz AXXDABQBCZJNES-UHFFFAOYSA-N 0 0 650.368 4.738 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409300948 1067036258 /nfs/dbraw/zinc/03/62/58/1067036258.db2.gz YZLAEWXCCIYSSP-UHFFFAOYSA-N 0 0 676.480 4.999 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC000409300969 1066353901 /nfs/dbraw/zinc/35/39/01/1066353901.db2.gz BMVJPOSNTDMEIE-UHFFFAOYSA-N 0 0 628.261 4.549 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000409301048 1067035880 /nfs/dbraw/zinc/03/58/80/1067035880.db2.gz CJTPVOJJCWIFNA-INIZCTEOSA-N 0 0 636.341 4.563 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000409301049 1067035781 /nfs/dbraw/zinc/03/57/81/1067035781.db2.gz CJTPVOJJCWIFNA-MRXNPFEDSA-N 0 0 636.341 4.563 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000409301057 1067035728 /nfs/dbraw/zinc/03/57/28/1067035728.db2.gz CMJJNMAEEVSLGJ-UHFFFAOYSA-N 0 0 564.396 4.919 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc(OC)c2OCC(N)=O)cc1C(C)C ZINC000409301108 1067035694 /nfs/dbraw/zinc/03/56/94/1067035694.db2.gz ZPTQUMPRKDUUCW-UHFFFAOYSA-N 0 0 549.027 4.912 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1 ZINC000409301121 1066353980 /nfs/dbraw/zinc/35/39/80/1066353980.db2.gz ZRWBUVBSCWNVJT-UHFFFAOYSA-N 0 0 552.341 4.999 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1 ZINC000409301163 1066353997 /nfs/dbraw/zinc/35/39/97/1066353997.db2.gz ABQPOCOISXTSPG-UHFFFAOYSA-N 0 0 538.314 4.745 40 30 KJEBRN CC(=O)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC000409301165 1067035746 /nfs/dbraw/zinc/03/57/46/1067035746.db2.gz ACGCTLNCNPDMEP-UHFFFAOYSA-N 0 0 568.209 4.869 40 30 KJEBRN C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)OC(C)C ZINC000409301166 1067035673 /nfs/dbraw/zinc/03/56/73/1067035673.db2.gz BNGBZDHEYQVKGY-UHFFFAOYSA-N 0 0 542.430 4.671 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)OC)ccc2ccccc21 ZINC000409301190 1067035837 /nfs/dbraw/zinc/03/58/37/1067035837.db2.gz DETZGQWRHNUKNN-UHFFFAOYSA-N 0 0 508.372 4.699 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C ZINC000409301208 1067035808 /nfs/dbraw/zinc/03/58/08/1067035808.db2.gz BRXISCHHXYDFNC-UHFFFAOYSA-N 0 0 580.395 4.592 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)OC(C)C ZINC000409301315 1067035657 /nfs/dbraw/zinc/03/56/57/1067035657.db2.gz ARPNVRCCSCJCQS-UHFFFAOYSA-N 0 0 536.810 4.596 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(I)c1OCC(N)=O ZINC000409301356 1067035852 /nfs/dbraw/zinc/03/58/52/1067035852.db2.gz CCPFAEZRXURRMI-UHFFFAOYSA-N 0 0 628.810 4.823 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409301400 1067035635 /nfs/dbraw/zinc/03/56/35/1067035635.db2.gz CGQJHRIDRCODKU-UHFFFAOYSA-N 0 0 606.601 4.939 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OCC)c(OC)c1 ZINC000409301472 1067035864 /nfs/dbraw/zinc/03/58/64/1067035864.db2.gz FXMRQCQSFMWZKS-UHFFFAOYSA-N 0 0 536.810 4.598 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000409301530 1067035895 /nfs/dbraw/zinc/03/58/95/1067035895.db2.gz BHSNSMJBADHOGR-UHFFFAOYSA-N 0 0 511.307 4.976 40 30 KJEBRN NC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Cl ZINC000409301561 1067035429 /nfs/dbraw/zinc/03/54/29/1067035429.db2.gz ARIBGTZLYWJRKJ-UHFFFAOYSA-N 0 0 507.333 4.863 40 30 KJEBRN C=CCc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC000409301565 1067035519 /nfs/dbraw/zinc/03/55/19/1067035519.db2.gz ASONVZVSSFLCFJ-UHFFFAOYSA-N 0 0 558.679 4.691 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409301580 1067035306 /nfs/dbraw/zinc/03/53/06/1067035306.db2.gz AZCSIWSHPHRMHZ-UHFFFAOYSA-N 0 0 570.787 4.929 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409301604 1067035347 /nfs/dbraw/zinc/03/53/47/1067035347.db2.gz BCYYFITVFSVMDX-UHFFFAOYSA-N 0 0 549.425 4.938 40 30 KJEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409301645 1067035242 /nfs/dbraw/zinc/03/52/42/1067035242.db2.gz BNFJHBMDSIQABW-UHFFFAOYSA-N 0 0 535.398 4.684 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000409301646 1066353779 /nfs/dbraw/zinc/35/37/79/1066353779.db2.gz BNOAUJKDFNWTMF-UHFFFAOYSA-N 0 0 598.385 4.677 40 30 KJEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc1OC ZINC000409301648 1067035273 /nfs/dbraw/zinc/03/52/73/1067035273.db2.gz BNRWQDSBIZMMRH-UHFFFAOYSA-N 0 0 559.619 4.955 40 30 KJEBRN C#CCOc1c(Cl)c(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409301651 1067035290 /nfs/dbraw/zinc/03/52/90/1067035290.db2.gz BOKLKYNXWJISGH-UHFFFAOYSA-N 0 0 539.611 4.786 40 30 KJEBRN C=CCOc1c(Br)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409301658 1067035414 /nfs/dbraw/zinc/03/54/14/1067035414.db2.gz BPTIBJYHOAYMHL-UHFFFAOYSA-N 0 0 521.209 4.940 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccccc2F)c(OC)c1 ZINC000409301691 1067035506 /nfs/dbraw/zinc/03/55/06/1067035506.db2.gz DCLYLJZPSQNTBD-UHFFFAOYSA-N 0 0 583.414 4.777 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)cc1[N+](=O)[O-] ZINC000409301733 1067035443 /nfs/dbraw/zinc/03/54/43/1067035443.db2.gz DJVVVWFHDMESMC-UHFFFAOYSA-N 0 0 577.347 4.914 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC(C)C)c(OC)c1 ZINC000409301759 1066354291 /nfs/dbraw/zinc/35/42/91/1066354291.db2.gz CBYJLLJSXHXTAL-UHFFFAOYSA-N 0 0 628.261 4.547 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409301768 1066354380 /nfs/dbraw/zinc/35/43/80/1066354380.db2.gz CCKLSXSDLAFVEY-HNNXBMFYSA-N 0 0 557.401 4.937 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409301771 1067035458 /nfs/dbraw/zinc/03/54/58/1067035458.db2.gz CCKLSXSDLAFVEY-OAHLLOKOSA-N 0 0 557.401 4.937 40 30 KJEBRN CCOC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2c(cccc2OC)o1 ZINC000409301773 1067035329 /nfs/dbraw/zinc/03/53/29/1067035329.db2.gz DMVKWFWNJRBKDT-UHFFFAOYSA-N 0 0 540.576 4.708 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 ZINC000409301788 1067035484 /nfs/dbraw/zinc/03/54/84/1067035484.db2.gz CEQFHZUWGAVWJT-UHFFFAOYSA-N 0 0 535.398 4.630 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(Br)c1Br ZINC000409301868 1067035365 /nfs/dbraw/zinc/03/53/65/1067035365.db2.gz GYAPCHSHMLUAAU-UHFFFAOYSA-N 0 0 645.146 4.782 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409301925 1067035470 /nfs/dbraw/zinc/03/54/70/1067035470.db2.gz CAQNHLORSKMUFL-UHFFFAOYSA-N 0 0 696.077 4.501 40 30 KJEBRN CC(=O)Oc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409301929 1067035259 /nfs/dbraw/zinc/03/52/59/1067035259.db2.gz CBIXILIVNWGJKE-UHFFFAOYSA-N 0 0 558.024 4.800 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000409301938 1067035495 /nfs/dbraw/zinc/03/54/95/1067035495.db2.gz CDPHQUCCNPSIDJ-HNNXBMFYSA-N 0 0 540.454 4.813 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000409301939 1067035383 /nfs/dbraw/zinc/03/53/83/1067035383.db2.gz CDPHQUCCNPSIDJ-OAHLLOKOSA-N 0 0 540.454 4.813 40 30 KJEBRN C=CCOc1c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC ZINC000409302063 1067034947 /nfs/dbraw/zinc/03/49/47/1067034947.db2.gz CVACAZSFQDQNDE-UHFFFAOYSA-N 0 0 521.209 4.940 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000409302149 1067035132 /nfs/dbraw/zinc/03/51/32/1067035132.db2.gz DFZSLLJSEPJJAB-UHFFFAOYSA-N 0 0 511.307 4.976 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000409302215 1067035005 /nfs/dbraw/zinc/03/50/05/1067035005.db2.gz IBFHWFCIVIWQMR-UHFFFAOYSA-N 0 0 551.353 4.820 40 30 KJEBRN COc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409302256 1067034870 /nfs/dbraw/zinc/03/48/70/1067034870.db2.gz CKNGXVRJVSNKHY-UHFFFAOYSA-N 0 0 530.014 4.883 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC000409302266 1067035148 /nfs/dbraw/zinc/03/51/48/1067035148.db2.gz CNFRQEXYIRHMQO-UHFFFAOYSA-N 0 0 550.369 4.529 40 30 KJEBRN CC(=O)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409302280 1066354211 /nfs/dbraw/zinc/35/42/11/1066354211.db2.gz CQNBWRPMGDOAHN-UHFFFAOYSA-N 0 0 513.348 4.922 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409302327 1067035058 /nfs/dbraw/zinc/03/50/58/1067035058.db2.gz DFCGXWDRNQAXFH-UHFFFAOYSA-N 0 0 664.456 4.543 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(N)=O)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409302352 1067034932 /nfs/dbraw/zinc/03/49/32/1067034932.db2.gz FPGUGRKTESAXBJ-UHFFFAOYSA-N 0 0 543.580 4.549 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O)c(Br)c1Br ZINC000409302382 1067035104 /nfs/dbraw/zinc/03/51/04/1067035104.db2.gz DQUBOVWRBLFQLH-UHFFFAOYSA-N 0 0 560.040 4.843 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(Br)c3OCC(N)=O)cc21 ZINC000409302397 1066354331 /nfs/dbraw/zinc/35/43/31/1066354331.db2.gz DTNZKCCACNNKKP-UHFFFAOYSA-N 0 0 581.810 4.981 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3OCC(=O)N3CCOCC3)cc21 ZINC000409302484 1067034622 /nfs/dbraw/zinc/03/46/22/1067034622.db2.gz GBZXDENKSKEWKJ-UHFFFAOYSA-N 0 0 573.005 4.592 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC#N)c(Cl)c1Br ZINC000409302502 1067034962 /nfs/dbraw/zinc/03/49/62/1067034962.db2.gz GDYJAOVVUAISRQ-UHFFFAOYSA-N 0 0 554.626 4.930 40 30 KJEBRN CC(C)OC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000409302535 1067035017 /nfs/dbraw/zinc/03/50/17/1067035017.db2.gz GIBWNNLFFMUUMY-UHFFFAOYSA-N 0 0 526.505 4.931 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1OCC(=O)OC ZINC000409302547 1067034974 /nfs/dbraw/zinc/03/49/74/1067034974.db2.gz FICQZZHIYCDHDQ-UHFFFAOYSA-N 0 0 536.810 4.769 40 30 KJEBRN CCOC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409302565 1066354195 /nfs/dbraw/zinc/35/41/95/1066354195.db2.gz GKJOTFAWJWSFKM-UHFFFAOYSA-N 0 0 512.478 4.542 40 30 KJEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1Br ZINC000409302598 1066354159 /nfs/dbraw/zinc/35/41/59/1066354159.db2.gz FNFZXNQRGXCYSI-UHFFFAOYSA-N 0 0 545.315 4.591 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)Nc1cccc(F)c1 ZINC000409302636 1067034565 /nfs/dbraw/zinc/03/45/65/1067034565.db2.gz DNIPRPICGFTZEZ-UHFFFAOYSA-N 0 0 523.362 4.760 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(F)cc1 ZINC000409302638 1067034601 /nfs/dbraw/zinc/03/46/01/1067034601.db2.gz DNKLWGNUZNMPDE-UHFFFAOYSA-N 0 0 511.307 4.976 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCC(N)=O ZINC000409302652 1067034535 /nfs/dbraw/zinc/03/45/35/1067034535.db2.gz DOUJELZHPYDFBD-UHFFFAOYSA-N 0 0 581.810 4.981 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000409302667 1067034482 /nfs/dbraw/zinc/03/44/82/1067034482.db2.gz DRSWEJILMJWHGM-UHFFFAOYSA-N 0 0 549.425 4.938 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OCC(=O)N2CCOCC2)cc1C(C)C ZINC000409302668 1067034663 /nfs/dbraw/zinc/03/46/63/1067034663.db2.gz DSMFYELIGXSZTP-UHFFFAOYSA-N 0 0 613.671 4.922 40 30 KJEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c1OCC(=O)N1CCOCC1 ZINC000409302709 1067034550 /nfs/dbraw/zinc/03/45/50/1067034550.db2.gz FEEKIUGCDOFCNZ-UHFFFAOYSA-N 0 0 584.673 4.632 40 30 KJEBRN O=C(COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409302727 1067034697 /nfs/dbraw/zinc/03/46/97/1067034697.db2.gz FJZYGFWEXWKPNN-UHFFFAOYSA-N 0 0 615.952 4.764 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409302889 1067034338 /nfs/dbraw/zinc/03/43/38/1067034338.db2.gz GWXZJWGIASQOJN-UHFFFAOYSA-N 0 0 610.259 4.951 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409302904 1067034370 /nfs/dbraw/zinc/03/43/70/1067034370.db2.gz HBGMZLKQGWGYLK-UHFFFAOYSA-N 0 0 553.388 4.769 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC#N)c(I)c1 ZINC000409302924 1067034246 /nfs/dbraw/zinc/03/42/46/1067034246.db2.gz FWQHDZSZMAYJSJ-UHFFFAOYSA-N 0 0 551.182 4.672 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)cc1[N+](=O)[O-] ZINC000409302946 1067034647 /nfs/dbraw/zinc/03/46/47/1067034647.db2.gz HLJBXTLFXKJGCW-UHFFFAOYSA-N 0 0 532.896 4.805 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2F)c([N+](=O)[O-])c1 ZINC000409302960 1067034766 /nfs/dbraw/zinc/03/47/66/1067034766.db2.gz HMIHNHBITIZDHH-UHFFFAOYSA-N 0 0 568.359 4.668 40 30 KJEBRN C=CCOc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409303002 1067034510 /nfs/dbraw/zinc/03/45/10/1067034510.db2.gz FRDSKTSNLXVSRM-UHFFFAOYSA-N 0 0 524.156 4.519 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cc(Br)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409303006 1067034608 /nfs/dbraw/zinc/03/46/08/1067034608.db2.gz FRFSGSMHVYTOPH-CYBMUJFWSA-N 0 0 581.261 4.705 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cc(Br)c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409303007 1067034731 /nfs/dbraw/zinc/03/47/31/1067034731.db2.gz FRFSGSMHVYTOPH-ZDUSSCGKSA-N 0 0 581.261 4.705 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409303074 1067034305 /nfs/dbraw/zinc/03/43/05/1067034305.db2.gz GRBYGQAZTCJNAT-HNNXBMFYSA-N 0 0 530.419 4.678 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409303076 1067034198 /nfs/dbraw/zinc/03/41/98/1067034198.db2.gz GRBYGQAZTCJNAT-OAHLLOKOSA-N 0 0 530.419 4.678 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Cl)N1CCOCC1 ZINC000409303090 1067034289 /nfs/dbraw/zinc/03/42/89/1067034289.db2.gz GRZATLCEXQXBOF-UHFFFAOYSA-N 0 0 542.979 4.583 40 30 KJEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409303180 1067034320 /nfs/dbraw/zinc/03/43/20/1067034320.db2.gz LZSSMQCOXPHWSR-UHFFFAOYSA-N 0 0 573.400 4.558 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409303185 1066354413 /nfs/dbraw/zinc/35/44/13/1066354413.db2.gz GNMQPPDJHKNVRQ-UHFFFAOYSA-N 0 0 563.998 4.812 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OCC)cc1Br ZINC000409303192 1067034214 /nfs/dbraw/zinc/03/42/14/1067034214.db2.gz MCYMYOHQZICQMP-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN COC(=O)COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409303327 1067034157 /nfs/dbraw/zinc/03/41/57/1067034157.db2.gz IHRZFLHOFVPZEB-UHFFFAOYSA-N 0 0 581.261 4.662 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409303341 1067034380 /nfs/dbraw/zinc/03/43/80/1067034380.db2.gz IJMNBPABRNMPSC-CYBMUJFWSA-N 0 0 550.837 4.941 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409303343 1067034144 /nfs/dbraw/zinc/03/41/44/1067034144.db2.gz IJMNBPABRNMPSC-ZDUSSCGKSA-N 0 0 550.837 4.941 40 30 KJEBRN CCOC(=O)COc1c(Cl)c(Br)c(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OC ZINC000409303366 1067034170 /nfs/dbraw/zinc/03/41/70/1067034170.db2.gz GVLDHZNDEFBLOV-UHFFFAOYSA-N 0 0 601.679 4.970 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc([N+](=O)[O-])c1OC(C)C ZINC000409303385 1067034229 /nfs/dbraw/zinc/03/42/29/1067034229.db2.gz HEMXPEIMMOAJKA-UHFFFAOYSA-N 0 0 503.353 4.869 40 30 KJEBRN COC(=O)[C@@H](C)Oc1cc(Br)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409303399 1067034277 /nfs/dbraw/zinc/03/42/77/1067034277.db2.gz GXSFGWTXABURJO-CYBMUJFWSA-N 0 0 581.261 4.876 40 30 KJEBRN COC(=O)[C@H](C)Oc1cc(Br)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409303402 1067034392 /nfs/dbraw/zinc/03/43/92/1067034392.db2.gz GXSFGWTXABURJO-ZDUSSCGKSA-N 0 0 581.261 4.876 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 ZINC000409303452 1067033770 /nfs/dbraw/zinc/03/37/70/1067033770.db2.gz HKWJWOCSZLMBBV-UHFFFAOYSA-N 0 0 550.369 4.529 40 30 KJEBRN CCOC(=O)Cn1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc21 ZINC000409303465 1066354276 /nfs/dbraw/zinc/35/42/76/1066354276.db2.gz HBPASPISVKKPCB-UHFFFAOYSA-N 0 0 509.404 4.857 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OC(C)=O)c(OC)c1 ZINC000409303538 1066354432 /nfs/dbraw/zinc/35/44/32/1066354432.db2.gz HHUKDNKSRPRTLC-UHFFFAOYSA-N 0 0 584.208 4.532 40 30 KJEBRN C=CCOc1c(I)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409303583 1067033787 /nfs/dbraw/zinc/03/37/87/1067033787.db2.gz HVBPDBNCGPYCTI-UHFFFAOYSA-N 0 0 568.209 4.782 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)OC ZINC000409303595 1066354242 /nfs/dbraw/zinc/35/42/42/1066354242.db2.gz NNZLJRYVCHXPSV-AWEZNQCLSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@H](C)C(=O)OC ZINC000409303596 1067033939 /nfs/dbraw/zinc/03/39/39/1067033939.db2.gz NNZLJRYVCHXPSV-CQSZACIVSA-N 0 0 550.837 4.986 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000409303604 1067033844 /nfs/dbraw/zinc/03/38/44/1067033844.db2.gz HNKMUCIEXMKDOH-HNNXBMFYSA-N 0 0 570.480 4.822 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000409303606 1067033950 /nfs/dbraw/zinc/03/39/50/1067033950.db2.gz HNKMUCIEXMKDOH-OAHLLOKOSA-N 0 0 570.480 4.822 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409303623 1067034002 /nfs/dbraw/zinc/03/40/02/1067034002.db2.gz HOVBWWSGZNRSIR-HNNXBMFYSA-N 0 0 500.393 4.669 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409303625 1066354398 /nfs/dbraw/zinc/35/43/98/1066354398.db2.gz HOVBWWSGZNRSIR-OAHLLOKOSA-N 0 0 500.393 4.669 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OC(C)=O ZINC000409303634 1067033963 /nfs/dbraw/zinc/03/39/63/1067033963.db2.gz HPLTWASROOOOCE-UHFFFAOYSA-N 0 0 511.456 4.907 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cccc1OC ZINC000409303827 1067033868 /nfs/dbraw/zinc/03/38/68/1067033868.db2.gz IDMWRUYGCGOUMB-UHFFFAOYSA-N 0 0 517.925 4.906 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)Nc1cccc(F)c1 ZINC000409303866 1067033802 /nfs/dbraw/zinc/03/38/02/1067033802.db2.gz IFZRJKIEJRNPSY-UHFFFAOYSA-N 0 0 539.361 4.515 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(N)=O ZINC000409303875 1067033741 /nfs/dbraw/zinc/03/37/41/1067033741.db2.gz IHMZEDASJVIQNU-UHFFFAOYSA-N 0 0 589.368 4.990 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409303956 1067033988 /nfs/dbraw/zinc/03/39/88/1067033988.db2.gz IPVZXKQQLNYDEP-UHFFFAOYSA-N 0 0 596.232 4.777 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 ZINC000409303978 1067033755 /nfs/dbraw/zinc/03/37/55/1067033755.db2.gz PFQMBROIMRDTRY-UHFFFAOYSA-N 0 0 564.396 4.919 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(C)(C)C ZINC000409303990 1067033911 /nfs/dbraw/zinc/03/39/11/1067033911.db2.gz ITIJWZASZWDOJB-UHFFFAOYSA-N 0 0 503.353 4.691 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] ZINC000409304004 1066354321 /nfs/dbraw/zinc/35/43/21/1066354321.db2.gz IVHDYECCQRJUII-UHFFFAOYSA-N 0 0 577.347 4.914 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccccc1C#N ZINC000409304012 1067033897 /nfs/dbraw/zinc/03/38/97/1067033897.db2.gz IVWBEACTLXENBF-UHFFFAOYSA-N 0 0 516.399 4.866 40 30 KJEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-] ZINC000409304071 1067033814 /nfs/dbraw/zinc/03/38/14/1067033814.db2.gz PPYAJVITRVOKIZ-UHFFFAOYSA-N 0 0 562.922 4.814 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000409304162 1067033881 /nfs/dbraw/zinc/03/38/81/1067033881.db2.gz JDZQKISIIDOSDB-UHFFFAOYSA-N 0 0 552.381 4.675 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC000409304270 1067033445 /nfs/dbraw/zinc/03/34/45/1067033445.db2.gz KSLLFPADUJWGOP-UHFFFAOYSA-N 0 0 580.395 4.674 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409304304 1067033614 /nfs/dbraw/zinc/03/36/14/1067033614.db2.gz KWVHQHWAFYUMEV-HNNXBMFYSA-N 0 0 516.392 4.504 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409304307 1067033528 /nfs/dbraw/zinc/03/35/28/1067033528.db2.gz KWVHQHWAFYUMEV-OAHLLOKOSA-N 0 0 516.392 4.504 40 30 KJEBRN COC(=O)COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409304408 1066354256 /nfs/dbraw/zinc/35/42/56/1066354256.db2.gz LEHHUPSMKIXZDZ-UHFFFAOYSA-N 0 0 596.232 4.561 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC000409304414 1067033326 /nfs/dbraw/zinc/03/33/26/1067033326.db2.gz LFRLHLGYRPVUAW-UHFFFAOYSA-N 0 0 563.452 4.555 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC#N ZINC000409304443 1067033515 /nfs/dbraw/zinc/03/35/15/1067033515.db2.gz KDUWRZADMKKRRB-UHFFFAOYSA-N 0 0 595.235 4.854 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)OC(C)C ZINC000409304458 1067033395 /nfs/dbraw/zinc/03/33/95/1067033395.db2.gz QXKPKUZKXVDSPL-INIZCTEOSA-N 0 0 500.393 4.885 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)OC(C)C ZINC000409304459 1067033597 /nfs/dbraw/zinc/03/35/97/1067033597.db2.gz QXKPKUZKXVDSPL-MRXNPFEDSA-N 0 0 500.393 4.885 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)OC ZINC000409304472 1066354178 /nfs/dbraw/zinc/35/41/78/1066354178.db2.gz RDPCNDSOWQFPMZ-UHFFFAOYSA-N 0 0 506.784 4.589 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(-n2c(C)cc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)c2C)cc1 ZINC000409304512 1067033487 /nfs/dbraw/zinc/03/34/87/1067033487.db2.gz RSAQUMIAQUJVHX-KRWDZBQOSA-N 0 0 537.414 4.697 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(-n2c(C)cc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)c2C)cc1 ZINC000409304516 1067033542 /nfs/dbraw/zinc/03/35/42/1067033542.db2.gz RSAQUMIAQUJVHX-QGZVFWFLSA-N 0 0 537.414 4.697 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc2c(c1)OCO2 ZINC000409304523 1067033581 /nfs/dbraw/zinc/03/35/81/1067033581.db2.gz LKDLYMUOOXCNNI-UHFFFAOYSA-N 0 0 535.398 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC000409304535 1067033378 /nfs/dbraw/zinc/03/33/78/1067033378.db2.gz RUIZTUPJMDIGGK-UHFFFAOYSA-N 0 0 615.120 4.773 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)OC(C)C ZINC000409304549 1067033460 /nfs/dbraw/zinc/03/34/60/1067033460.db2.gz LNPLGAKHKUASGT-UHFFFAOYSA-N 0 0 581.261 4.705 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1OCC(=O)N1CCOCC1 ZINC000409304558 1067033413 /nfs/dbraw/zinc/03/34/13/1067033413.db2.gz KFCAPKZCJACJKW-UHFFFAOYSA-N 0 0 597.510 4.725 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409304587 1067033344 /nfs/dbraw/zinc/03/33/44/1067033344.db2.gz SBMIBHQGUDTBHX-UHFFFAOYSA-N 0 0 555.509 4.924 40 30 KJEBRN O=C(COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000409304659 1067033150 /nfs/dbraw/zinc/03/31/50/1067033150.db2.gz KKQGMZDCODNEDF-UHFFFAOYSA-N 0 0 570.955 4.856 40 30 KJEBRN CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(OCC(=O)N2CCOCC2)c1 ZINC000409304682 1067033501 /nfs/dbraw/zinc/03/35/01/1067033501.db2.gz LXDBNWQUHUGDEB-UHFFFAOYSA-N 0 0 630.499 4.758 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-] ZINC000409304757 1067033554 /nfs/dbraw/zinc/03/35/54/1067033554.db2.gz KVJUIZCVTSIXQX-UHFFFAOYSA-N 0 0 532.896 4.805 40 30 KJEBRN C=CCOc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409304764 1067033069 /nfs/dbraw/zinc/03/30/69/1067033069.db2.gz KVIZVJYGKVRLJD-UHFFFAOYSA-N 0 0 515.364 4.820 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)N2CCOCC2)c(I)c1 ZINC000409304775 1067033106 /nfs/dbraw/zinc/03/31/06/1067033106.db2.gz KYWUQDQPDARSKL-UHFFFAOYSA-N 0 0 779.211 4.786 40 30 KJEBRN CC(=O)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Br ZINC000409304788 1066355732 /nfs/dbraw/zinc/35/57/32/1066355732.db2.gz LBEZGRUSDQLDPD-UHFFFAOYSA-N 0 0 507.182 4.852 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OCC)c(OC)c1 ZINC000409304848 1067033121 /nfs/dbraw/zinc/03/31/21/1067033121.db2.gz SFBNZWYTQBHGKB-UHFFFAOYSA-N 0 0 642.288 4.939 40 30 KJEBRN C=CCc1cc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)cc(OC)c1OCC(N)=O ZINC000409304949 1066355599 /nfs/dbraw/zinc/35/55/99/1066355599.db2.gz UGKOVRWBXBLMAN-UHFFFAOYSA-N 0 0 542.979 4.947 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC000409304950 1067032966 /nfs/dbraw/zinc/03/29/66/1067032966.db2.gz MHOCSJJPBFNWGR-UHFFFAOYSA-N 0 0 615.120 4.728 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC000409304951 1067033201 /nfs/dbraw/zinc/03/32/01/1067033201.db2.gz UGPFCVDVZVPABX-CVEARBPZSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC000409304953 1067033053 /nfs/dbraw/zinc/03/30/53/1067033053.db2.gz UGPFCVDVZVPABX-HOTGVXAUSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC000409304955 1066355767 /nfs/dbraw/zinc/35/57/67/1066355767.db2.gz UGPFCVDVZVPABX-HZPDHXFCSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC000409304957 1066355534 /nfs/dbraw/zinc/35/55/34/1066355534.db2.gz UGPFCVDVZVPABX-JKSUJKDBSA-N 0 0 530.419 4.894 40 30 KJEBRN C#CCOc1c(I)cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409304961 1066355636 /nfs/dbraw/zinc/35/56/36/1066355636.db2.gz MIRRPERXJSCCBC-UHFFFAOYSA-N 0 0 580.220 4.619 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1 ZINC000409304982 1067033093 /nfs/dbraw/zinc/03/30/93/1067033093.db2.gz LJBWNUJAGUPWQT-UHFFFAOYSA-N 0 0 598.385 4.813 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000409305027 1067033027 /nfs/dbraw/zinc/03/30/27/1067033027.db2.gz MNOCLLGKELEDML-UHFFFAOYSA-N 0 0 564.396 4.838 40 30 KJEBRN C=CCOc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409305064 1067032748 /nfs/dbraw/zinc/03/27/48/1067032748.db2.gz LRKNOKGPYMXUHB-UHFFFAOYSA-N 0 0 522.153 4.585 40 30 KJEBRN CCOC(=O)COc1c(OCC)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409305078 1067032681 /nfs/dbraw/zinc/03/26/81/1067032681.db2.gz LTVJWNYIBIWOSK-UHFFFAOYSA-N 0 0 522.558 4.575 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccc3c(c2)OCO3)c1 ZINC000409305130 1067032976 /nfs/dbraw/zinc/03/29/76/1067032976.db2.gz LUTYSGPQCLLOIR-UHFFFAOYSA-N 0 0 506.356 4.911 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(N)=O ZINC000409305151 1067033215 /nfs/dbraw/zinc/03/32/15/1067033215.db2.gz LXZWUGYZVWQIMG-UHFFFAOYSA-N 0 0 544.917 4.881 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCC(N)=O)c(Br)c3)cc21 ZINC000409305175 1067033000 /nfs/dbraw/zinc/03/30/00/1067033000.db2.gz MBKYBXNEPJGPMM-UHFFFAOYSA-N 0 0 581.810 4.981 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OCC(=O)N2CCOCC2)cc1C(C)C ZINC000409305204 1067032808 /nfs/dbraw/zinc/03/28/08/1067032808.db2.gz MILPCDQPFOYZDZ-UHFFFAOYSA-N 0 0 599.644 4.532 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)Nc1ccccc1F ZINC000409305217 1067032763 /nfs/dbraw/zinc/03/27/63/1067032763.db2.gz MKQNSBQVVMSZNG-UHFFFAOYSA-N 0 0 523.362 4.760 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccccc2C#N)c([N+](=O)[O-])c1 ZINC000409305224 1067032563 /nfs/dbraw/zinc/03/25/63/1067032563.db2.gz MHCHMMFQVWZZEP-UHFFFAOYSA-N 0 0 562.380 4.971 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br)N1CCOCC1 ZINC000409305225 1067032777 /nfs/dbraw/zinc/03/27/77/1067032777.db2.gz MLKUVAXRYPYZKC-UHFFFAOYSA-N 0 0 587.430 4.692 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OC(C)C ZINC000409305231 1067032698 /nfs/dbraw/zinc/03/26/98/1067032698.db2.gz MMASHBVNZPKXQC-UHFFFAOYSA-N 0 0 524.169 4.808 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)OCC ZINC000409305250 1067032666 /nfs/dbraw/zinc/03/26/66/1067032666.db2.gz UHVFQCDLUBSJDZ-UHFFFAOYSA-N 0 0 506.784 4.589 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000409305359 1067032577 /nfs/dbraw/zinc/03/25/77/1067032577.db2.gz MRWLXOCLVIPVOE-UHFFFAOYSA-N 0 0 537.326 4.566 40 30 KJEBRN CC(C)OC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409305376 1067032604 /nfs/dbraw/zinc/03/26/04/1067032604.db2.gz MVQDMXWAKBGEBE-UHFFFAOYSA-N 0 0 545.390 4.577 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409305440 1067032708 /nfs/dbraw/zinc/03/27/08/1067032708.db2.gz NHVLJURPMBSLRJ-UHFFFAOYSA-N 0 0 536.386 4.903 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(I)o1 ZINC000409305452 1066355659 /nfs/dbraw/zinc/35/56/59/1066355659.db2.gz NIBHMJCBUZMVMB-UHFFFAOYSA-N 0 0 550.976 4.564 40 30 KJEBRN C#CCOc1cc(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409305500 1067032342 /nfs/dbraw/zinc/03/23/42/1067032342.db2.gz NATZGHZVMOXMOR-UHFFFAOYSA-N 0 0 519.193 4.523 40 30 KJEBRN O=C(COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br)N1CCOCC1 ZINC000409305526 1067032651 /nfs/dbraw/zinc/03/26/51/1067032651.db2.gz NLQKBXSITBMZFP-UHFFFAOYSA-N 0 0 587.902 4.980 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409305535 1067032618 /nfs/dbraw/zinc/03/26/18/1067032618.db2.gz NCMWLUVXXNFOAM-KRWDZBQOSA-N 0 0 526.505 4.931 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409305539 1067032825 /nfs/dbraw/zinc/03/28/25/1067032825.db2.gz NCMWLUVXXNFOAM-QGZVFWFLSA-N 0 0 526.505 4.931 40 30 KJEBRN C=CCOc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409305547 1067032723 /nfs/dbraw/zinc/03/27/23/1067032723.db2.gz NQEJWYGQJPDPEX-UHFFFAOYSA-N 0 0 554.182 4.528 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC#N)c(OC)c1 ZINC000409305565 1067032840 /nfs/dbraw/zinc/03/28/40/1067032840.db2.gz NSJFVOFOKRTWPK-UHFFFAOYSA-N 0 0 581.208 4.509 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)Nc1cccc(F)c1 ZINC000409305650 1067032205 /nfs/dbraw/zinc/03/22/05/1067032205.db2.gz NHTXSGBHNWGARF-UHFFFAOYSA-N 0 0 552.404 4.572 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCC(=O)OC ZINC000409305669 1067032470 /nfs/dbraw/zinc/03/24/70/1067032470.db2.gz NJPQUCQIKIKDEW-UHFFFAOYSA-N 0 0 542.430 4.628 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1O ZINC000409305757 1066355785 /nfs/dbraw/zinc/35/57/85/1066355785.db2.gz NZRYRNZFWMOGAK-UHFFFAOYSA-N 0 0 503.340 4.645 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC#N ZINC000409305797 1067032329 /nfs/dbraw/zinc/03/23/29/1067032329.db2.gz NOFZLQBWNBZUEB-UHFFFAOYSA-N 0 0 518.755 4.803 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409305806 1067032393 /nfs/dbraw/zinc/03/23/93/1067032393.db2.gz OEAITBDNMZRMIB-UHFFFAOYSA-N 0 0 617.456 4.701 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409305827 1066355583 /nfs/dbraw/zinc/35/55/83/1066355583.db2.gz OMSJRZSGIIXKCD-GFCCVEGCSA-N 0 0 610.259 4.950 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000409305830 1066355648 /nfs/dbraw/zinc/35/56/48/1066355648.db2.gz OMSJRZSGIIXKCD-LBPRGKRZSA-N 0 0 610.259 4.950 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC000409305851 1066355756 /nfs/dbraw/zinc/35/57/56/1066355756.db2.gz NRBWQEZHHRLNIU-UHFFFAOYSA-N 0 0 569.328 4.616 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1cccc(F)c1 ZINC000409305871 1067032377 /nfs/dbraw/zinc/03/23/77/1067032377.db2.gz OIOPUZZWOHGUDC-UHFFFAOYSA-N 0 0 541.333 4.985 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409305895 1066355569 /nfs/dbraw/zinc/35/55/69/1066355569.db2.gz NUVUZADDMYKPCE-UHFFFAOYSA-N 0 0 523.343 4.845 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc(F)c1 ZINC000409306035 1067032222 /nfs/dbraw/zinc/03/22/22/1067032222.db2.gz YEYPJTRUDXKIBT-UHFFFAOYSA-N 0 0 511.307 4.976 40 30 KJEBRN C#CCOc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409306050 1067032455 /nfs/dbraw/zinc/03/24/55/1067032455.db2.gz OFCWFURSWZRKHZ-UHFFFAOYSA-N 0 0 509.585 4.778 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Cl)c1OCC(=O)N1CCOCC1 ZINC000409306092 1067032438 /nfs/dbraw/zinc/03/24/38/1067032438.db2.gz PECMTHPRXKSOHY-UHFFFAOYSA-N 0 0 656.759 4.656 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409306124 1067032359 /nfs/dbraw/zinc/03/23/59/1067032359.db2.gz PGQSXNOTOFRVDU-UHFFFAOYSA-N 0 0 519.399 4.930 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409306136 1067032190 /nfs/dbraw/zinc/03/21/90/1067032190.db2.gz PJWKZPNAIXZHIU-UHFFFAOYSA-N 0 0 596.232 4.777 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)OCC)c(OC)c1 ZINC000409306177 1066355802 /nfs/dbraw/zinc/35/58/02/1066355802.db2.gz YSRYJBIETRLHLC-INIZCTEOSA-N 0 0 560.445 4.731 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)OCC)c(OC)c1 ZINC000409306180 1067032267 /nfs/dbraw/zinc/03/22/67/1067032267.db2.gz YSRYJBIETRLHLC-MRXNPFEDSA-N 0 0 560.445 4.731 40 30 KJEBRN O=C(COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409306187 1067032280 /nfs/dbraw/zinc/03/22/80/1067032280.db2.gz OMEZROYSAIWRSD-UHFFFAOYSA-N 0 0 632.427 4.600 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(I)c(OCC(N)=O)c(OC)c2)cc1C(C)C ZINC000409306232 1067031876 /nfs/dbraw/zinc/03/18/76/1067031876.db2.gz OPTQRDQHAPXDCC-UHFFFAOYSA-N 0 0 640.478 4.863 40 30 KJEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1ccc2c(c1)OCO2 ZINC000409306242 1067031858 /nfs/dbraw/zinc/03/18/58/1067031858.db2.gz ZEULNNBVIJXNJG-UHFFFAOYSA-N 0 0 522.355 4.666 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(I)c1OCC(=O)OC(C)C ZINC000409306256 1067031916 /nfs/dbraw/zinc/03/19/16/1067031916.db2.gz PIVPZNVZEHQQLW-UHFFFAOYSA-N 0 0 642.288 4.937 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(Br)c1 ZINC000409306269 1066355700 /nfs/dbraw/zinc/35/57/00/1066355700.db2.gz OTTCBDIYIDXMHY-UHFFFAOYSA-N 0 0 626.733 4.818 40 30 KJEBRN COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC000409306413 1067032070 /nfs/dbraw/zinc/03/20/70/1067032070.db2.gz QBLGWGUSJIISOV-UHFFFAOYSA-N 0 0 540.199 4.952 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000409306418 1067031849 /nfs/dbraw/zinc/03/18/49/1067031849.db2.gz PCUAWNBYVORIAH-UHFFFAOYSA-N 0 0 509.335 4.506 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCC(=O)N1CCOCC1 ZINC000409306450 1067031905 /nfs/dbraw/zinc/03/19/05/1067031905.db2.gz QDQBBPKPHNYKQY-UHFFFAOYSA-N 0 0 687.183 4.511 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)c(Br)c1Br ZINC000409306460 1066355621 /nfs/dbraw/zinc/35/56/21/1066355621.db2.gz PWAQAPMHZMVHOA-UHFFFAOYSA-N 0 0 632.103 4.689 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCC ZINC000409306495 1066356142 /nfs/dbraw/zinc/35/61/42/1066356142.db2.gz QIBLNXAMWULBSE-UHFFFAOYSA-N 0 0 556.198 4.752 40 30 KJEBRN O=C(COc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1)N1CCOCC1 ZINC000409306501 1067031895 /nfs/dbraw/zinc/03/18/95/1067031895.db2.gz QIZYPBFPBHGZBY-UHFFFAOYSA-N 0 0 587.430 4.692 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409306507 1067032053 /nfs/dbraw/zinc/03/20/53/1067032053.db2.gz QNGYOLVLWCRBDQ-UHFFFAOYSA-N 0 0 572.530 4.559 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000409306537 1067031939 /nfs/dbraw/zinc/03/19/39/1067031939.db2.gz PZCVBFADYKOLSL-INIZCTEOSA-N 0 0 512.478 4.540 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000409306539 1067031870 /nfs/dbraw/zinc/03/18/70/1067031870.db2.gz PZCVBFADYKOLSL-MRXNPFEDSA-N 0 0 512.478 4.540 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1O[C@@H](C)C(=O)OC ZINC000409306564 1067032040 /nfs/dbraw/zinc/03/20/40/1067032040.db2.gz QXUTZSBKLUTBCK-HNNXBMFYSA-N 0 0 516.392 4.504 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1O[C@H](C)C(=O)OC ZINC000409306566 1067031973 /nfs/dbraw/zinc/03/19/73/1067031973.db2.gz QXUTZSBKLUTBCK-OAHLLOKOSA-N 0 0 516.392 4.504 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2OCC(=O)N2CCOCC2)cc1C(C)C ZINC000409306573 1067032083 /nfs/dbraw/zinc/03/20/83/1067032083.db2.gz QDEUWAFVBGZIRK-UHFFFAOYSA-N 0 0 613.671 4.922 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(OCC(=O)N4CCOCC4)c(OC)c3)cc21 ZINC000409306592 1067031885 /nfs/dbraw/zinc/03/18/85/1067031885.db2.gz QEOHHFWXXXGCKX-UHFFFAOYSA-N 0 0 694.482 4.551 40 30 KJEBRN NC(=O)COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409306601 1067031945 /nfs/dbraw/zinc/03/19/45/1067031945.db2.gz RBDPNLDOZHBCSG-UHFFFAOYSA-N 0 0 517.811 4.606 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000409306639 1066356202 /nfs/dbraw/zinc/35/62/02/1066356202.db2.gz RDMOWAOSBNBIQB-UHFFFAOYSA-N 0 0 536.382 4.920 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409306702 1066356059 /nfs/dbraw/zinc/35/60/59/1066356059.db2.gz RKTVTBHVRHKUMF-CYBMUJFWSA-N 0 0 536.810 4.767 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409306704 1067031515 /nfs/dbraw/zinc/03/15/15/1067031515.db2.gz RKTVTBHVRHKUMF-ZDUSSCGKSA-N 0 0 536.810 4.767 40 30 KJEBRN O=C(Cn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc21)N1CCOCC1 ZINC000409306716 1067031605 /nfs/dbraw/zinc/03/16/05/1067031605.db2.gz RLQIHDPLMRCZAJ-UHFFFAOYSA-N 0 0 559.548 4.778 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC(C)C)c(OC)c1 ZINC000409306747 1066356078 /nfs/dbraw/zinc/35/60/78/1066356078.db2.gz QSYLFXPIYTZJBD-UHFFFAOYSA-N 0 0 550.837 4.986 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409306800 1067031589 /nfs/dbraw/zinc/03/15/89/1067031589.db2.gz PZUFHACHFMPLSC-HNNXBMFYSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409306801 1067032008 /nfs/dbraw/zinc/03/20/08/1067032008.db2.gz PZUFHACHFMPLSC-OAHLLOKOSA-N 0 0 575.416 4.802 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC(C)C)c(I)c1 ZINC000409306815 1067031488 /nfs/dbraw/zinc/03/14/88/1067031488.db2.gz QEQWXIFZVRHRMF-UHFFFAOYSA-N 0 0 710.104 4.889 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1OCC#N ZINC000409306820 1067031501 /nfs/dbraw/zinc/03/15/01/1067031501.db2.gz QGLXKSPTNBVNRI-UHFFFAOYSA-N 0 0 534.208 4.838 40 30 KJEBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1C ZINC000409306842 1067031665 /nfs/dbraw/zinc/03/16/65/1067031665.db2.gz QWHIOFCKGUYLBC-UHFFFAOYSA-N 0 0 510.348 4.674 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409306855 1067031727 /nfs/dbraw/zinc/03/17/27/1067031727.db2.gz QYHQPPZEJGMOBL-UHFFFAOYSA-N 0 0 538.314 4.745 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccccc1C#N ZINC000409306878 1067031543 /nfs/dbraw/zinc/03/15/43/1067031543.db2.gz SFUMDBOIOIBVIK-UHFFFAOYSA-N 0 0 532.354 4.962 40 30 KJEBRN N#CCOc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000409306895 1067031471 /nfs/dbraw/zinc/03/14/71/1067031471.db2.gz RCBDHZZRDKNQGD-UHFFFAOYSA-N 0 0 510.348 4.899 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(Br)c1OCC(N)=O ZINC000409306898 1067031532 /nfs/dbraw/zinc/03/15/32/1067031532.db2.gz SIMIVBUCFBEXJL-UHFFFAOYSA-N 0 0 581.810 4.981 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OC ZINC000409306914 1066356127 /nfs/dbraw/zinc/35/61/27/1066356127.db2.gz SLDOKEPXMZBVCM-UHFFFAOYSA-N 0 0 509.198 4.944 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409306957 1067031083 /nfs/dbraw/zinc/03/10/83/1067031083.db2.gz SNLBMFCQWJWGGX-HNNXBMFYSA-N 0 0 512.950 4.828 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409306960 1067031359 /nfs/dbraw/zinc/03/13/59/1067031359.db2.gz SNLBMFCQWJWGGX-OAHLLOKOSA-N 0 0 512.950 4.828 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cccc1OC ZINC000409306977 1067031694 /nfs/dbraw/zinc/03/16/94/1067031694.db2.gz RLHGZBIDDYAVFD-UHFFFAOYSA-N 0 0 527.533 4.651 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000409307004 1067031621 /nfs/dbraw/zinc/03/16/21/1067031621.db2.gz RNIFCEXVUFVHJW-UHFFFAOYSA-N 0 0 537.208 4.690 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(OC)c2OCC(N)=O)cc1C(C)C ZINC000409307045 1067031741 /nfs/dbraw/zinc/03/17/41/1067031741.db2.gz SVOKBKPCKVXNIW-UHFFFAOYSA-N 0 0 528.609 4.649 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1F ZINC000409307047 1067031455 /nfs/dbraw/zinc/03/14/55/1067031455.db2.gz RQZKSIYJJHNHOU-UHFFFAOYSA-N 0 0 568.359 4.668 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 ZINC000409307049 1067031576 /nfs/dbraw/zinc/03/15/76/1067031576.db2.gz RQZVPIPFOVJALB-UHFFFAOYSA-N 0 0 551.353 4.820 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OC(C)=O ZINC000409307063 1067031710 /nfs/dbraw/zinc/03/17/10/1067031710.db2.gz SWNPVJFWXRXTDH-UHFFFAOYSA-N 0 0 545.377 4.865 40 30 KJEBRN COC(=O)[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409307149 1067031260 /nfs/dbraw/zinc/03/12/60/1067031260.db2.gz TVUSAZFQOYQCBG-KRWDZBQOSA-N 0 0 538.526 4.971 40 30 KJEBRN COC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409307150 1067031213 /nfs/dbraw/zinc/03/12/13/1067031213.db2.gz TVUSAZFQOYQCBG-QGZVFWFLSA-N 0 0 538.526 4.971 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1OC ZINC000409307163 1067031327 /nfs/dbraw/zinc/03/13/27/1067031327.db2.gz TYSITXZHSINRSC-CYBMUJFWSA-N 0 0 550.837 4.941 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1OC ZINC000409307165 1067031185 /nfs/dbraw/zinc/03/11/85/1067031185.db2.gz TYSITXZHSINRSC-ZDUSSCGKSA-N 0 0 550.837 4.941 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409307178 1067031140 /nfs/dbraw/zinc/03/11/40/1067031140.db2.gz RUSREJNAGLDARX-UHFFFAOYSA-N 0 0 570.787 4.929 40 30 KJEBRN Cc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)n1-c1ccc(OCC(N)=O)cc1 ZINC000409307250 1067031122 /nfs/dbraw/zinc/03/11/22/1067031122.db2.gz UFCWDULCYUAVDN-UHFFFAOYSA-N 0 0 531.572 4.964 40 30 KJEBRN CC(C)OC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409307258 1067031343 /nfs/dbraw/zinc/03/13/43/1067031343.db2.gz RVLWVSWYGHCKNV-UHFFFAOYSA-N 0 0 543.462 4.735 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2c(cccc2OC)o1 ZINC000409307261 1067031201 /nfs/dbraw/zinc/03/12/01/1067031201.db2.gz RVSQERYKGGCHQR-INIZCTEOSA-N 0 0 542.504 4.549 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2c(cccc2OC)o1 ZINC000409307265 1067031065 /nfs/dbraw/zinc/03/10/65/1067031065.db2.gz RVSQERYKGGCHQR-MRXNPFEDSA-N 0 0 542.504 4.549 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)Nc1ccccc1F ZINC000409307286 1067031104 /nfs/dbraw/zinc/03/11/04/1067031104.db2.gz SEJIHHBYBMKXHS-UHFFFAOYSA-N 0 0 566.431 4.826 40 30 KJEBRN O=C(COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I)N1CCOCC1 ZINC000409307338 1067042906 /nfs/dbraw/zinc/04/29/06/1067042906.db2.gz SCXCKYWMTBKGBP-UHFFFAOYSA-N 0 0 726.353 4.773 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)OC(C)C ZINC000409307342 1067042989 /nfs/dbraw/zinc/04/29/89/1067042989.db2.gz UOJANIWEOGADSG-UHFFFAOYSA-N 0 0 506.784 4.587 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409307343 1067042795 /nfs/dbraw/zinc/04/27/95/1067042795.db2.gz SLRUEWRPJCUUIM-UHFFFAOYSA-N 0 0 596.232 4.605 40 30 KJEBRN CCOC(=O)COc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409307438 1067042375 /nfs/dbraw/zinc/04/23/75/1067042375.db2.gz UQZUJYUWLFQGMH-UHFFFAOYSA-N 0 0 520.811 4.934 40 30 KJEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCC(N)=O)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409307473 1067042344 /nfs/dbraw/zinc/04/23/44/1067042344.db2.gz SOHJUJXOHIJBCS-UHFFFAOYSA-N 0 0 587.633 4.947 40 30 KJEBRN C#CCOc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409307519 1067042809 /nfs/dbraw/zinc/04/28/09/1067042809.db2.gz VGMROBLYZZDYSV-UHFFFAOYSA-N 0 0 517.767 4.912 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409307522 1067042751 /nfs/dbraw/zinc/04/27/51/1067042751.db2.gz VHAUIBJPHONJOI-UHFFFAOYSA-N 0 0 556.531 4.939 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1OC(C)=O ZINC000409307527 1067042932 /nfs/dbraw/zinc/04/29/32/1067042932.db2.gz VIOZZEVCUPBFGR-UHFFFAOYSA-N 0 0 584.208 4.703 40 30 KJEBRN COC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409307572 1067042518 /nfs/dbraw/zinc/04/25/18/1067042518.db2.gz VLYXNQLQCIXCIX-UHFFFAOYSA-N 0 0 524.499 4.582 40 30 KJEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409307578 1067042530 /nfs/dbraw/zinc/04/25/30/1067042530.db2.gz UCWQGMOQZHXBGC-UHFFFAOYSA-N 0 0 538.314 4.745 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)OCC)c(OC)c1 ZINC000409307599 1067042421 /nfs/dbraw/zinc/04/24/21/1067042421.db2.gz UEZQZBUKJJHCHH-AWEZNQCLSA-N 0 0 642.288 4.937 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)OCC)c(OC)c1 ZINC000409307602 1066354347 /nfs/dbraw/zinc/35/43/47/1066354347.db2.gz UEZQZBUKJJHCHH-CQSZACIVSA-N 0 0 642.288 4.937 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409307643 1066354228 /nfs/dbraw/zinc/35/42/28/1066354228.db2.gz VTYVLNMZVLZLCK-UHFFFAOYSA-N 0 0 539.361 4.515 40 30 KJEBRN NC(=O)COc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409307737 1067042545 /nfs/dbraw/zinc/04/25/45/1067042545.db2.gz VYTLMALDWVMVGW-UHFFFAOYSA-N 0 0 545.315 4.591 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409307764 1067042331 /nfs/dbraw/zinc/04/23/31/1067042331.db2.gz WFUYXWANFSWEQJ-KRWDZBQOSA-N 0 0 556.531 4.939 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409307766 1067042591 /nfs/dbraw/zinc/04/25/91/1067042591.db2.gz WFUYXWANFSWEQJ-QGZVFWFLSA-N 0 0 556.531 4.939 40 30 KJEBRN NC(=O)Cn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c2ccccc21 ZINC000409307785 1067042561 /nfs/dbraw/zinc/04/25/61/1067042561.db2.gz UYDHSVICULVIBM-UHFFFAOYSA-N 0 0 540.377 4.894 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409307809 1067042455 /nfs/dbraw/zinc/04/24/55/1067042455.db2.gz UYDFUBHNRUFIKR-UHFFFAOYSA-N 0 0 625.560 4.509 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000409307832 1067042576 /nfs/dbraw/zinc/04/25/76/1067042576.db2.gz VAHZDZNMEBLKAR-UHFFFAOYSA-N 0 0 594.422 4.846 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1cccc(F)c1 ZINC000409307835 1066354308 /nfs/dbraw/zinc/35/43/08/1066354308.db2.gz VFDFCUGXOQSPNP-UHFFFAOYSA-N 0 0 598.385 4.813 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC000409307896 1066354463 /nfs/dbraw/zinc/35/44/63/1066354463.db2.gz VJRFISHDTUCFRL-UHFFFAOYSA-N 0 0 582.282 4.709 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OC ZINC000409307967 1067042503 /nfs/dbraw/zinc/04/25/03/1067042503.db2.gz VRMIPQXBWTZYCR-CYBMUJFWSA-N 0 0 628.261 4.547 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1OC ZINC000409307970 1066354688 /nfs/dbraw/zinc/35/46/88/1066354688.db2.gz VRMIPQXBWTZYCR-ZDUSSCGKSA-N 0 0 628.261 4.547 40 30 KJEBRN C#CCOc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409308003 1067042390 /nfs/dbraw/zinc/04/23/90/1067042390.db2.gz VQXIFOQWBCQBBV-UHFFFAOYSA-N 0 0 503.194 4.939 40 30 KJEBRN CCOC(=O)COc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409308044 1067042486 /nfs/dbraw/zinc/04/24/86/1067042486.db2.gz XADHQMKHRAAZCT-UHFFFAOYSA-N 0 0 575.416 4.588 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1I ZINC000409308057 1067042469 /nfs/dbraw/zinc/04/24/69/1067042469.db2.gz XBQWOGWZBCSHGN-UHFFFAOYSA-N 0 0 579.350 4.848 40 30 KJEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 ZINC000409308070 1067042360 /nfs/dbraw/zinc/04/23/60/1067042360.db2.gz WBDXGBOLNGAMDA-UHFFFAOYSA-N 0 0 567.352 4.574 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000409308086 1067042440 /nfs/dbraw/zinc/04/24/40/1067042440.db2.gz XESNXLSNGCZOMQ-UHFFFAOYSA-N 0 0 505.372 4.621 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409308107 1067042309 /nfs/dbraw/zinc/04/23/09/1067042309.db2.gz WFSLZPIYZWAZFV-UHFFFAOYSA-N 0 0 632.427 4.600 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(Br)c1OCC(N)=O ZINC000409308154 1067042181 /nfs/dbraw/zinc/04/21/81/1067042181.db2.gz WKHXDVTZBTVYFB-UHFFFAOYSA-N 0 0 591.418 4.726 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409308177 1067041944 /nfs/dbraw/zinc/04/19/44/1067041944.db2.gz WNDUURFDSHPHBJ-UHFFFAOYSA-N 0 0 587.032 4.982 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)c1OCC(=O)OC(C)C ZINC000409308182 1067042150 /nfs/dbraw/zinc/04/21/50/1067042150.db2.gz WNMWQTBJJJRBMN-UHFFFAOYSA-N 0 0 581.261 4.841 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O ZINC000409308185 1067042136 /nfs/dbraw/zinc/04/21/36/1067042136.db2.gz XNVBKPFSRPDXEZ-UHFFFAOYSA-N 0 0 509.198 4.815 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409308223 1067042094 /nfs/dbraw/zinc/04/20/94/1067042094.db2.gz WSIYHVFCNVOKRV-UHFFFAOYSA-N 0 0 605.917 4.628 40 30 KJEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OCC(=O)N2CCOCC2)cc1C(C)C ZINC000409308264 1067042404 /nfs/dbraw/zinc/04/24/04/1067042404.db2.gz XVVZGJYBBVFKNU-UHFFFAOYSA-N 0 0 554.647 4.624 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409308288 1067042079 /nfs/dbraw/zinc/04/20/79/1067042079.db2.gz WUIAMIYPNVHYAK-INIZCTEOSA-N 0 0 542.504 4.549 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409308292 1067042220 /nfs/dbraw/zinc/04/22/20/1067042220.db2.gz WUIAMIYPNVHYAK-MRXNPFEDSA-N 0 0 542.504 4.549 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCC(=O)N1CCOCC1 ZINC000409308294 1066354836 /nfs/dbraw/zinc/35/48/36/1066354836.db2.gz WVAHRVZXEIICRI-UHFFFAOYSA-N 0 0 650.368 4.738 40 30 KJEBRN CC(C)OC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC000409308345 1067042015 /nfs/dbraw/zinc/04/20/15/1067042015.db2.gz WYQAKWJFOICLFO-UHFFFAOYSA-N 0 0 500.393 4.669 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1OC ZINC000409308494 1066354647 /nfs/dbraw/zinc/35/46/47/1066354647.db2.gz XUIVBQUXMHCTJL-UHFFFAOYSA-N 0 0 517.925 4.906 40 30 KJEBRN CCOC(=O)COc1c(OCC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409308496 1067041961 /nfs/dbraw/zinc/04/19/61/1067041961.db2.gz YQCOSWYUGOFXHD-UHFFFAOYSA-N 0 0 556.531 4.941 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C ZINC000409308566 1067041975 /nfs/dbraw/zinc/04/19/75/1067041975.db2.gz XWAPSRWMAFLOJN-UHFFFAOYSA-N 0 0 564.396 4.838 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(=O)OC)cc2)c1C ZINC000409308571 1067042035 /nfs/dbraw/zinc/04/20/35/1067042035.db2.gz XZRMVWOEZPJJBO-UHFFFAOYSA-N 0 0 537.414 4.563 40 30 KJEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCC(=O)N4CCOCC4)c(OC)c3)cc21 ZINC000409308595 1067042050 /nfs/dbraw/zinc/04/20/50/1067042050.db2.gz XZOSBESGVGFVOQ-UHFFFAOYSA-N 0 0 647.482 4.709 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409308658 1067042123 /nfs/dbraw/zinc/04/21/23/1067042123.db2.gz YDWCOFLOYFEDEN-UHFFFAOYSA-N 0 0 542.504 4.551 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC#N)c(OC)c1 ZINC000409308748 1067041634 /nfs/dbraw/zinc/04/16/34/1067041634.db2.gz YPEJGQGPKWJDLK-UHFFFAOYSA-N 0 0 534.208 4.667 40 30 KJEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC#N ZINC000409308752 1067042164 /nfs/dbraw/zinc/04/21/64/1067042164.db2.gz YPTCCACEFDIOLS-UHFFFAOYSA-N 0 0 504.728 4.629 40 30 KJEBRN CCOC(=O)COc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409308778 1067042000 /nfs/dbraw/zinc/04/20/00/1067042000.db2.gz YUAFBSQJGKVNDU-UHFFFAOYSA-N 0 0 506.784 4.760 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC000409308810 1067041931 /nfs/dbraw/zinc/04/19/31/1067041931.db2.gz YZLKDVYKGSCETJ-UHFFFAOYSA-N 0 0 577.479 4.730 40 30 KJEBRN COC(=O)COc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409308834 1067042108 /nfs/dbraw/zinc/04/21/08/1067042108.db2.gz ZEYUANFVFRHLEW-UHFFFAOYSA-N 0 0 506.784 4.544 40 30 KJEBRN Cc1ccc(NC(=O)COc2c(C=Nn3c(C)nc4ccc(Br)cc4c3=O)cccc2[N+](=O)[O-])cc1 ZINC000409308873 1067041791 /nfs/dbraw/zinc/04/17/91/1067041791.db2.gz YYKNWKGFHRTFRP-UHFFFAOYSA-N 0 0 550.369 4.584 40 30 KJEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1F ZINC000409308893 1067041698 /nfs/dbraw/zinc/04/16/98/1067041698.db2.gz ZLCRDPFJLINRRH-UHFFFAOYSA-N 0 0 598.385 4.813 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000409308945 1067041757 /nfs/dbraw/zinc/04/17/57/1067041757.db2.gz ZMAKVFLSKHKANF-UHFFFAOYSA-N 0 0 580.395 4.538 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)OCC)c(OC)c1 ZINC000409308992 1067041540 /nfs/dbraw/zinc/04/15/40/1067041540.db2.gz ZWWQVDKSPBAQTJ-AWEZNQCLSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)OCC)c(OC)c1 ZINC000409308994 1067041681 /nfs/dbraw/zinc/04/16/81/1067041681.db2.gz ZWWQVDKSPBAQTJ-CQSZACIVSA-N 0 0 550.837 4.986 40 30 KJEBRN NC(=O)COc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409309067 1066354865 /nfs/dbraw/zinc/35/48/65/1066354865.db2.gz ATQQXOCVPTZTBW-UHFFFAOYSA-N 0 0 562.262 4.716 40 30 KJEBRN C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)OC ZINC000409309150 1066354737 /nfs/dbraw/zinc/35/47/37/1066354737.db2.gz CDSVLIILPGGLEP-UHFFFAOYSA-N 0 0 542.430 4.673 40 30 KJEBRN COc1cc(N2CCOCC2)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409309200 1067041645 /nfs/dbraw/zinc/04/16/45/1067041645.db2.gz CUZSAYRZHRSIPI-UHFFFAOYSA-N 0 0 525.447 4.934 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)OC(C)C ZINC000409309204 1066354936 /nfs/dbraw/zinc/35/49/36/1066354936.db2.gz CWIIEBPEQNFFQS-UHFFFAOYSA-N 0 0 520.811 4.978 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC000409309296 1067041621 /nfs/dbraw/zinc/04/16/21/1067041621.db2.gz FFDMYGIOZDVYSA-LLVKDONJSA-N 0 0 570.669 4.835 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC000409309297 1067041824 /nfs/dbraw/zinc/04/18/24/1067041824.db2.gz FFDMYGIOZDVYSA-NSHDSACASA-N 0 0 570.669 4.835 40 30 KJEBRN C#CCOc1c(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC ZINC000409309329 1066354712 /nfs/dbraw/zinc/35/47/12/1066354712.db2.gz FOBLLBWSDHIKFF-UHFFFAOYSA-N 0 0 533.220 4.777 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1OCC(N)=O ZINC000409309392 1067041556 /nfs/dbraw/zinc/04/15/56/1067041556.db2.gz GMQQOYLBBIEEDO-UHFFFAOYSA-N 0 0 639.288 4.566 40 30 KJEBRN C#CCOc1ccc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1I ZINC000409309649 1066207312 /nfs/dbraw/zinc/20/73/12/1066207312.db2.gz KLASZDCQFPSEJK-UHFFFAOYSA-N 0 0 550.194 4.610 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OC(C)=O ZINC000409309825 1067041808 /nfs/dbraw/zinc/04/18/08/1067041808.db2.gz MWKABRAGARQFLR-UHFFFAOYSA-N 0 0 566.206 4.980 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OCC)c(Cl)c1 ZINC000409309917 1066354895 /nfs/dbraw/zinc/35/48/95/1066354895.db2.gz NXIWUTABFUDTSE-UHFFFAOYSA-N 0 0 506.784 4.589 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O)c(OCC)c1 ZINC000409309922 1067041273 /nfs/dbraw/zinc/04/12/73/1067041273.db2.gz NZGNMECOERBDBI-UHFFFAOYSA-N 0 0 556.198 4.703 40 30 KJEBRN C#CCOc1c(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000409309938 1067041181 /nfs/dbraw/zinc/04/11/81/1067041181.db2.gz OEXVGMXVYZNZMC-UHFFFAOYSA-N 0 0 517.767 4.957 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409310000 1067041415 /nfs/dbraw/zinc/04/14/15/1067041415.db2.gz OZWPKTUIAOMJEV-UHFFFAOYSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@H](C)C(=O)OC ZINC000409310137 1067041151 /nfs/dbraw/zinc/04/11/51/1067041151.db2.gz QWVCESZKTOVQPJ-CYBMUJFWSA-N 0 0 506.784 4.587 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OC ZINC000409310138 1066354769 /nfs/dbraw/zinc/35/47/69/1066354769.db2.gz QWVCESZKTOVQPJ-ZDUSSCGKSA-N 0 0 506.784 4.587 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OCC)c(Cl)c1 ZINC000409310255 1067041432 /nfs/dbraw/zinc/04/14/32/1067041432.db2.gz STYTWAQFOKFRFT-AWEZNQCLSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OCC)c(Cl)c1 ZINC000409310256 1067041346 /nfs/dbraw/zinc/04/13/46/1067041346.db2.gz STYTWAQFOKFRFT-CQSZACIVSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OC ZINC000409310291 1067041224 /nfs/dbraw/zinc/04/12/24/1067041224.db2.gz UAWUTEWCIMLWPT-UHFFFAOYSA-N 0 0 524.169 4.673 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC#N ZINC000409310381 1067041194 /nfs/dbraw/zinc/04/11/94/1067041194.db2.gz UKFOIUIAQDVFNX-UHFFFAOYSA-N 0 0 504.182 4.659 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1OC ZINC000409310425 1066354910 /nfs/dbraw/zinc/35/49/10/1066354910.db2.gz URNCNQISYWLEIL-UHFFFAOYSA-N 0 0 528.403 4.649 40 30 KJEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1I ZINC000409310429 1067041381 /nfs/dbraw/zinc/04/13/81/1067041381.db2.gz UTRFHEZDWZRKOX-UHFFFAOYSA-N 0 0 609.262 4.558 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O ZINC000409310430 1066354700 /nfs/dbraw/zinc/35/47/00/1066354700.db2.gz BDHRWAYSVNFPBS-UHFFFAOYSA-N 0 0 509.198 4.861 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OCC)c(I)c1 ZINC000409310454 1067041399 /nfs/dbraw/zinc/04/13/99/1067041399.db2.gz VABLOKGNGNCSSF-UHFFFAOYSA-N 0 0 612.262 4.930 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC#N ZINC000409310619 1067041209 /nfs/dbraw/zinc/04/12/09/1067041209.db2.gz BOBLJYJPQBPFPL-UHFFFAOYSA-N 0 0 563.206 4.957 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(I)cc1 ZINC000409310685 1067041303 /nfs/dbraw/zinc/04/13/03/1067041303.db2.gz WCJCIQMCSWQKAA-UHFFFAOYSA-N 0 0 510.173 4.988 40 30 KJEBRN N#CCOc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409310791 1067040794 /nfs/dbraw/zinc/04/07/94/1067040794.db2.gz WMUTYGZDRWWMIR-UHFFFAOYSA-N 0 0 510.348 4.899 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409310814 1066354635 /nfs/dbraw/zinc/35/46/35/1066354635.db2.gz WRHHEURESMWLTO-UHFFFAOYSA-N 0 0 549.179 4.567 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409310818 1067041136 /nfs/dbraw/zinc/04/11/36/1067041136.db2.gz BZAUXVUAQFMAPO-GFCCVEGCSA-N 0 0 596.232 4.605 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409310820 1066354819 /nfs/dbraw/zinc/35/48/19/1066354819.db2.gz BZAUXVUAQFMAPO-LBPRGKRZSA-N 0 0 596.232 4.605 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OC(C)=O ZINC000409310827 1067041165 /nfs/dbraw/zinc/04/11/65/1067041165.db2.gz CBBUEONTWUTAQI-UHFFFAOYSA-N 0 0 537.208 4.690 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409310853 1066354922 /nfs/dbraw/zinc/35/49/22/1066354922.db2.gz CGTVDOLWRIPLNX-AWEZNQCLSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409310855 1066354802 /nfs/dbraw/zinc/35/48/02/1066354802.db2.gz CGTVDOLWRIPLNX-CQSZACIVSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(=O)N2CCOCC2)c2ccccc12 ZINC000409310937 1067040977 /nfs/dbraw/zinc/04/09/77/1067040977.db2.gz DGAICUQYJDWNQI-UHFFFAOYSA-N 0 0 564.484 4.506 40 30 KJEBRN C=CCc1cc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(N)=O ZINC000409310947 1067040938 /nfs/dbraw/zinc/04/09/38/1067040938.db2.gz CULSYFUPTIAYQU-UHFFFAOYSA-N 0 0 553.457 4.690 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OC(C)=O)c(OC)c1 ZINC000409311051 1067040828 /nfs/dbraw/zinc/04/08/28/1067040828.db2.gz DVFCEXKUCZFOII-UHFFFAOYSA-N 0 0 506.784 4.971 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O)c(OC)c1 ZINC000409311187 1067040895 /nfs/dbraw/zinc/04/08/95/1067040895.db2.gz DQGWEEPYEIPHSB-LLVKDONJSA-N 0 0 556.198 4.874 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O)c(OC)c1 ZINC000409311189 1066354673 /nfs/dbraw/zinc/35/46/73/1066354673.db2.gz DQGWEEPYEIPHSB-NSHDSACASA-N 0 0 556.198 4.874 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)N2CCOCC2)cc1Br ZINC000409311205 1067040926 /nfs/dbraw/zinc/04/09/26/1067040926.db2.gz DVQJLIGCHCHQDG-UHFFFAOYSA-N 0 0 650.368 4.783 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O)c(OC)c1 ZINC000409311226 1067040781 /nfs/dbraw/zinc/04/07/81/1067040781.db2.gz DXPXMRHZNZEZGQ-UHFFFAOYSA-N 0 0 556.198 4.703 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)cc1 ZINC000409311279 1066355366 /nfs/dbraw/zinc/35/53/66/1066355366.db2.gz ZBUGFVUYGHIFSU-INIZCTEOSA-N 0 0 500.393 4.885 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)cc1 ZINC000409311282 1067041024 /nfs/dbraw/zinc/04/10/24/1067041024.db2.gz ZBUGFVUYGHIFSU-MRXNPFEDSA-N 0 0 500.393 4.885 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)OCC ZINC000409311329 1066355164 /nfs/dbraw/zinc/35/51/64/1066355164.db2.gz FKKPODRYDYGSJN-UHFFFAOYSA-N 0 0 551.235 4.698 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409311401 1066355274 /nfs/dbraw/zinc/35/52/74/1066355274.db2.gz GGPLURMSHKCDEI-UHFFFAOYSA-N 0 0 565.808 4.886 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409311677 1067040365 /nfs/dbraw/zinc/04/03/65/1067040365.db2.gz HBWIMKINVLPQSF-KRWDZBQOSA-N 0 0 605.917 4.844 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409311679 1067040910 /nfs/dbraw/zinc/04/09/10/1067040910.db2.gz HBWIMKINVLPQSF-QGZVFWFLSA-N 0 0 605.917 4.844 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)cc1 ZINC000409311736 1066355142 /nfs/dbraw/zinc/35/51/42/1066355142.db2.gz HJYFTSMXFQGJCN-UHFFFAOYSA-N 0 0 500.393 4.714 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000409311782 1067040419 /nfs/dbraw/zinc/04/04/19/1067040419.db2.gz ICDKICIWJOHUNI-UHFFFAOYSA-N 0 0 597.510 4.725 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(I)c1 ZINC000409311791 1067040488 /nfs/dbraw/zinc/04/04/88/1067040488.db2.gz IESPXKJFVZENJX-CYBMUJFWSA-N 0 0 598.235 4.711 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(I)c1 ZINC000409311792 1067040581 /nfs/dbraw/zinc/04/05/81/1067040581.db2.gz IESPXKJFVZENJX-ZDUSSCGKSA-N 0 0 598.235 4.711 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC000409311906 1067040313 /nfs/dbraw/zinc/04/03/13/1067040313.db2.gz CRGWGVBEMFQQMU-UHFFFAOYSA-N 0 0 565.808 4.887 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OC(C)=O ZINC000409311922 1066355382 /nfs/dbraw/zinc/35/53/82/1066355382.db2.gz HYNBPPVUJQIYAV-UHFFFAOYSA-N 0 0 506.784 4.971 40 30 KJEBRN NC(=O)Cn1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc21 ZINC000409312054 1067040329 /nfs/dbraw/zinc/04/03/29/1067040329.db2.gz JCYUPFUMWZWRLD-UHFFFAOYSA-N 0 0 506.404 4.529 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC000409312061 1067040348 /nfs/dbraw/zinc/04/03/48/1067040348.db2.gz JFXPAYFFVZQMJU-CABCVRRESA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC000409312063 1066355397 /nfs/dbraw/zinc/35/53/97/1066355397.db2.gz JFXPAYFFVZQMJU-GJZGRUSLSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC000409312065 1067040383 /nfs/dbraw/zinc/04/03/83/1067040383.db2.gz JFXPAYFFVZQMJU-HUUCEWRRSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC000409312067 1067040521 /nfs/dbraw/zinc/04/05/21/1067040521.db2.gz JFXPAYFFVZQMJU-LSDHHAIUSA-N 0 0 545.390 4.793 40 30 KJEBRN C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)OC ZINC000409312080 1067040607 /nfs/dbraw/zinc/04/06/07/1067040607.db2.gz JUBNTAJIQGJQQZ-UHFFFAOYSA-N 0 0 542.430 4.673 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(Br)cc1OCC(N)=O ZINC000409312103 1067040454 /nfs/dbraw/zinc/04/04/54/1067040454.db2.gz JYEBEJDREVNNLG-UHFFFAOYSA-N 0 0 592.288 4.724 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409312122 1067040471 /nfs/dbraw/zinc/04/04/71/1067040471.db2.gz CYEGVNCOTGCYOV-UHFFFAOYSA-N 0 0 518.755 4.848 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1OC ZINC000409312158 1067040536 /nfs/dbraw/zinc/04/05/36/1067040536.db2.gz DLFNDFLSOIQTOP-UHFFFAOYSA-N 0 0 528.403 4.649 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OC)cc1Br ZINC000409312175 1066355091 /nfs/dbraw/zinc/35/50/91/1066355091.db2.gz DQVGZHCYXDJZEX-UHFFFAOYSA-N 0 0 509.198 4.773 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OCC)c(Cl)c1 ZINC000409312216 1066355181 /nfs/dbraw/zinc/35/51/81/1066355181.db2.gz KCBMOZNGRAVRQZ-UHFFFAOYSA-N 0 0 520.811 4.979 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(N)=O)cc2)c1C ZINC000409312279 1067039912 /nfs/dbraw/zinc/03/99/12/1067039912.db2.gz KITHQOINLGUHJY-UHFFFAOYSA-N 0 0 550.457 4.655 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O[C@@H](C)C(=O)OCC ZINC000409312287 1067040064 /nfs/dbraw/zinc/04/00/64/1067040064.db2.gz KJGYYVGICZYCMV-INIZCTEOSA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O[C@H](C)C(=O)OCC ZINC000409312289 1067040592 /nfs/dbraw/zinc/04/05/92/1067040592.db2.gz KJGYYVGICZYCMV-MRXNPFEDSA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC#N ZINC000409312350 1066355108 /nfs/dbraw/zinc/35/51/08/1066355108.db2.gz KQEXMYQTQKBXEN-UHFFFAOYSA-N 0 0 518.755 4.848 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)N2CCOCC2)c(I)c1 ZINC000409312391 1067040142 /nfs/dbraw/zinc/04/01/42/1067040142.db2.gz LFAQAAZOJGUIBD-UHFFFAOYSA-N 0 0 779.211 4.831 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c(I)c1 ZINC000409312640 1067040017 /nfs/dbraw/zinc/04/00/17/1067040017.db2.gz NCBSSJYYXVBNEG-UHFFFAOYSA-N 0 0 526.172 4.694 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC000409312715 1067039957 /nfs/dbraw/zinc/03/99/57/1067039957.db2.gz HEORRYUMURXQLY-UHFFFAOYSA-N 0 0 582.282 4.538 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)OC ZINC000409312741 1067040157 /nfs/dbraw/zinc/04/01/57/1067040157.db2.gz MDLKYXXZEWOEMB-CYBMUJFWSA-N 0 0 506.784 4.760 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)OC ZINC000409312743 1067039988 /nfs/dbraw/zinc/03/99/88/1067039988.db2.gz MDLKYXXZEWOEMB-ZDUSSCGKSA-N 0 0 506.784 4.760 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC000409312795 1067039600 /nfs/dbraw/zinc/03/96/00/1067039600.db2.gz NOZRAUUBVKXRJI-FQEVSTJZSA-N 0 0 611.537 4.920 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC000409312796 1067040074 /nfs/dbraw/zinc/04/00/74/1067040074.db2.gz NOZRAUUBVKXRJI-HXUWFJFHSA-N 0 0 611.537 4.920 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC)c(I)c1 ZINC000409312940 1067039797 /nfs/dbraw/zinc/03/97/97/1067039797.db2.gz OLEMWFXCEXQRNV-UHFFFAOYSA-N 0 0 540.199 4.997 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O[C@@H](C)C(=O)OCC ZINC000409312944 1067039689 /nfs/dbraw/zinc/03/96/89/1067039689.db2.gz OLQGQUXWBRQIHZ-HNNXBMFYSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O[C@H](C)C(=O)OCC ZINC000409312946 1067039652 /nfs/dbraw/zinc/03/96/52/1067039652.db2.gz OLQGQUXWBRQIHZ-OAHLLOKOSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)OCC ZINC000409312949 1067039722 /nfs/dbraw/zinc/03/97/22/1067039722.db2.gz AIYDCYKHZMRQSZ-UHFFFAOYSA-N 0 0 565.808 4.887 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409313128 1067039531 /nfs/dbraw/zinc/03/95/31/1067039531.db2.gz HJBMJYXWRHMZHB-CYBMUJFWSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409313129 1067039736 /nfs/dbraw/zinc/03/97/36/1067039736.db2.gz HJBMJYXWRHMZHB-ZDUSSCGKSA-N 0 0 610.259 4.995 40 30 KJEBRN NC(=O)COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409313149 1067039766 /nfs/dbraw/zinc/03/97/66/1067039766.db2.gz HSKOXXXFAJTSOM-UHFFFAOYSA-N 0 0 607.259 4.624 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O[C@@H](C)C(=O)OCC ZINC000409313193 1067039633 /nfs/dbraw/zinc/03/96/33/1067039633.db2.gz OTAGPSLTFZELKS-HNNXBMFYSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O[C@H](C)C(=O)OCC ZINC000409313195 1067039753 /nfs/dbraw/zinc/03/97/53/1067039753.db2.gz OTAGPSLTFZELKS-OAHLLOKOSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409313293 1067039549 /nfs/dbraw/zinc/03/95/49/1067039549.db2.gz IMRYIBGRMFHRKR-CYBMUJFWSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409313297 1067039669 /nfs/dbraw/zinc/03/96/69/1067039669.db2.gz IMRYIBGRMFHRKR-ZDUSSCGKSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC)c([N+](=O)[O-])c1 ZINC000409313301 1066355123 /nfs/dbraw/zinc/35/51/23/1066355123.db2.gz IMUZTYZJKXMEKL-UHFFFAOYSA-N 0 0 503.353 4.699 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC)c(OC)c1 ZINC000409313320 1066355155 /nfs/dbraw/zinc/35/51/55/1066355155.db2.gz OCXMMEHCFQKDRK-UHFFFAOYSA-N 0 0 628.261 4.549 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC000409313336 1067039617 /nfs/dbraw/zinc/03/96/17/1067039617.db2.gz BOLLCUHVESKODF-HNNXBMFYSA-N 0 0 546.418 4.514 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC000409313340 1067039781 /nfs/dbraw/zinc/03/97/81/1067039781.db2.gz BOLLCUHVESKODF-OAHLLOKOSA-N 0 0 546.418 4.514 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409313343 1067039706 /nfs/dbraw/zinc/03/97/06/1067039706.db2.gz IPRNEDLLKIPFMI-HNNXBMFYSA-N 0 0 587.427 4.946 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409313347 1066355196 /nfs/dbraw/zinc/35/51/96/1066355196.db2.gz IPRNEDLLKIPFMI-OAHLLOKOSA-N 0 0 587.427 4.946 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409313359 1067039808 /nfs/dbraw/zinc/03/98/08/1067039808.db2.gz PRNNCMSICZQXMD-UHFFFAOYSA-N 0 0 642.507 4.633 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c(OCC)c1 ZINC000409313411 1067039130 /nfs/dbraw/zinc/03/91/30/1067039130.db2.gz PVTIOEUYAWNLGG-UHFFFAOYSA-N 0 0 550.837 4.988 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC000409313425 1067039296 /nfs/dbraw/zinc/03/92/96/1067039296.db2.gz BXVYGZFUGNKUEI-UHFFFAOYSA-N 0 0 650.368 4.783 40 30 KJEBRN CCOC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409313429 1066355304 /nfs/dbraw/zinc/35/53/04/1066355304.db2.gz BQLXZMUILDTYRG-UHFFFAOYSA-N 0 0 557.401 4.939 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)N1CCOCC1 ZINC000409313743 1067039147 /nfs/dbraw/zinc/03/91/47/1067039147.db2.gz IVDSULROHASXMV-INIZCTEOSA-N 0 0 606.315 4.555 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)N1CCOCC1 ZINC000409313747 1067039228 /nfs/dbraw/zinc/03/92/28/1067039228.db2.gz IVDSULROHASXMV-MRXNPFEDSA-N 0 0 606.315 4.555 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409313749 1066355354 /nfs/dbraw/zinc/35/53/54/1066355354.db2.gz PKROLSHWURCEAE-AWEZNQCLSA-N 0 0 642.288 4.937 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(CC(=O)OC(C)C)c2ccccc12 ZINC000409313753 1067039269 /nfs/dbraw/zinc/03/92/69/1067039269.db2.gz IVJUNJVQRKSLPP-UHFFFAOYSA-N 0 0 509.404 4.900 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409313756 1067039341 /nfs/dbraw/zinc/03/93/41/1067039341.db2.gz PKROLSHWURCEAE-CQSZACIVSA-N 0 0 642.288 4.937 40 30 KJEBRN CC(=O)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409313772 1067039243 /nfs/dbraw/zinc/03/92/43/1067039243.db2.gz DAYLOQDYSJNNTR-UHFFFAOYSA-N 0 0 513.348 4.922 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCC#N ZINC000409313835 1066355233 /nfs/dbraw/zinc/35/52/33/1066355233.db2.gz POUPIKHCTONCJR-UHFFFAOYSA-N 0 0 540.374 4.908 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OCC)c(Br)c1 ZINC000409313848 1067039199 /nfs/dbraw/zinc/03/91/99/1067039199.db2.gz JEKBMSFCSZITBM-UHFFFAOYSA-N 0 0 551.235 4.698 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OCC ZINC000409313857 1067039384 /nfs/dbraw/zinc/03/93/84/1067039384.db2.gz DLIKUFIBOWJDKP-UHFFFAOYSA-N 0 0 596.232 4.606 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@H](C)C(=O)OC ZINC000409314045 1067039181 /nfs/dbraw/zinc/03/91/81/1067039181.db2.gz DXNDVIDKWKWGHT-CYBMUJFWSA-N 0 0 581.261 4.705 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@@H](C)C(=O)OC ZINC000409314049 1067039368 /nfs/dbraw/zinc/03/93/68/1067039368.db2.gz DXNDVIDKWKWGHT-ZDUSSCGKSA-N 0 0 581.261 4.705 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000409314093 1066355720 /nfs/dbraw/zinc/35/57/20/1066355720.db2.gz FCGZBIWNHXDTSL-GFCCVEGCSA-N 0 0 551.781 4.668 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000409314094 1067039255 /nfs/dbraw/zinc/03/92/55/1067039255.db2.gz FCGZBIWNHXDTSL-LBPRGKRZSA-N 0 0 551.781 4.668 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409314131 1067039163 /nfs/dbraw/zinc/03/91/63/1067039163.db2.gz RLIRQTPEBPRGEM-UHFFFAOYSA-N 0 0 626.733 4.647 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O)c(OCC)c1 ZINC000409314171 1067039414 /nfs/dbraw/zinc/03/94/14/1067039414.db2.gz FIBZAFBMNCPEPG-UHFFFAOYSA-N 0 0 509.198 4.861 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(OC)c1 ZINC000409314266 1067039005 /nfs/dbraw/zinc/03/90/05/1067039005.db2.gz SCQKRNGMPSQBLX-INIZCTEOSA-N 0 0 530.419 4.894 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(OC)c1 ZINC000409314271 1067038912 /nfs/dbraw/zinc/03/89/12/1067038912.db2.gz SCQKRNGMPSQBLX-MRXNPFEDSA-N 0 0 530.419 4.894 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OC)cc1OC ZINC000409314273 1066355745 /nfs/dbraw/zinc/35/57/45/1066355745.db2.gz FPGOYPPJNBYNJO-UHFFFAOYSA-N 0 0 509.198 4.773 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC#N ZINC000409314330 1066356608 /nfs/dbraw/zinc/35/66/08/1066356608.db2.gz SIZRNLWEHAIQMQ-UHFFFAOYSA-N 0 0 534.208 4.667 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1O[C@@H](C)C(=O)OC ZINC000409314344 1067038898 /nfs/dbraw/zinc/03/88/98/1067038898.db2.gz RAOWNFJGNRCOHJ-CVEARBPZSA-N 0 0 529.435 4.561 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1O[C@@H](C)C(=O)OC ZINC000409314350 1067038966 /nfs/dbraw/zinc/03/89/66/1067038966.db2.gz RAOWNFJGNRCOHJ-HOTGVXAUSA-N 0 0 529.435 4.561 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1O[C@H](C)C(=O)OC ZINC000409314355 1067038885 /nfs/dbraw/zinc/03/88/85/1067038885.db2.gz RAOWNFJGNRCOHJ-HZPDHXFCSA-N 0 0 529.435 4.561 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1O[C@H](C)C(=O)OC ZINC000409314359 1067039038 /nfs/dbraw/zinc/03/90/38/1067039038.db2.gz RAOWNFJGNRCOHJ-JKSUJKDBSA-N 0 0 529.435 4.561 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(N)=O ZINC000409314409 1067038979 /nfs/dbraw/zinc/03/89/79/1067038979.db2.gz GBJNQEWDZAGHHA-UHFFFAOYSA-N 0 0 570.669 4.664 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409314452 1067039018 /nfs/dbraw/zinc/03/90/18/1067039018.db2.gz RISOFVRSDOVFLC-UHFFFAOYSA-N 0 0 587.427 4.948 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409314645 1067038992 /nfs/dbraw/zinc/03/89/92/1067038992.db2.gz GORTVZULHWGRKI-UHFFFAOYSA-N 0 0 557.401 4.939 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1I)N1CCOCC1 ZINC000409314688 1067038764 /nfs/dbraw/zinc/03/87/64/1067038764.db2.gz GWHVJEWEDQZNAO-UHFFFAOYSA-N 0 0 679.353 4.931 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000409314701 1067038835 /nfs/dbraw/zinc/03/88/35/1067038835.db2.gz GYWOCFKCSIRFQJ-UHFFFAOYSA-N 0 0 552.179 4.590 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O)cc1Br ZINC000409314707 1066356684 /nfs/dbraw/zinc/35/66/84/1066356684.db2.gz HAHFLZGYNYZWKE-UHFFFAOYSA-N 0 0 509.198 4.861 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)=O)c(Br)c1 ZINC000409314792 1067038851 /nfs/dbraw/zinc/03/88/51/1067038851.db2.gz HGWKIKFWFPQKAO-UHFFFAOYSA-N 0 0 507.182 4.682 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OCC)cc1 ZINC000409314858 1067038817 /nfs/dbraw/zinc/03/88/17/1067038817.db2.gz UDAHFZFJAUFMFR-INIZCTEOSA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OCC)cc1 ZINC000409314862 1067038927 /nfs/dbraw/zinc/03/89/27/1067038927.db2.gz UDAHFZFJAUFMFR-MRXNPFEDSA-N 0 0 500.393 4.714 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)c(I)c1 ZINC000409314868 1067038941 /nfs/dbraw/zinc/03/89/41/1067038941.db2.gz SUNPEYVSXPLIGG-UHFFFAOYSA-N 0 0 526.172 4.607 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000409314880 1067038784 /nfs/dbraw/zinc/03/87/84/1067038784.db2.gz HTOQPYORZCUMAC-UHFFFAOYSA-N 0 0 557.401 4.939 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC#N ZINC000409314931 1067038868 /nfs/dbraw/zinc/03/88/68/1067038868.db2.gz TXHYHHSDOOOWDW-UHFFFAOYSA-N 0 0 503.784 4.948 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409314962 1067038954 /nfs/dbraw/zinc/03/89/54/1067038954.db2.gz UBVXNUBXWGJETR-HNNXBMFYSA-N 0 0 575.416 4.802 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409314964 1067038801 /nfs/dbraw/zinc/03/88/01/1067038801.db2.gz UBVXNUBXWGJETR-OAHLLOKOSA-N 0 0 575.416 4.802 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O)cc1Br ZINC000409314970 1067038747 /nfs/dbraw/zinc/03/87/47/1067038747.db2.gz UDIFZEOUZWPWFD-UHFFFAOYSA-N 0 0 509.198 4.861 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(N)=O)c(I)c1 ZINC000409314983 1066357051 /nfs/dbraw/zinc/35/70/51/1066357051.db2.gz UMGVWUQCNDIKEP-LLVKDONJSA-N 0 0 709.120 4.628 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(N)=O)c(I)c1 ZINC000409314985 1067038407 /nfs/dbraw/zinc/03/84/07/1067038407.db2.gz UMGVWUQCNDIKEP-NSHDSACASA-N 0 0 709.120 4.628 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(Cl)c1 ZINC000409315037 1067038471 /nfs/dbraw/zinc/03/84/71/1067038471.db2.gz MIXVSASVBMXGPD-UHFFFAOYSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OC)c([N+](=O)[O-])c1 ZINC000409315155 1067038598 /nfs/dbraw/zinc/03/85/98/1067038598.db2.gz HZDODKGVWCNQGH-UHFFFAOYSA-N 0 0 524.169 4.673 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1OC ZINC000409315225 1067038570 /nfs/dbraw/zinc/03/85/70/1067038570.db2.gz UUQNSGWNZGCSKF-CVEARBPZSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1OC ZINC000409315229 1067038423 /nfs/dbraw/zinc/03/84/23/1067038423.db2.gz UUQNSGWNZGCSKF-HOTGVXAUSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1OC ZINC000409315233 1067038503 /nfs/dbraw/zinc/03/85/03/1067038503.db2.gz UUQNSGWNZGCSKF-HZPDHXFCSA-N 0 0 530.419 4.894 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409315236 1067038532 /nfs/dbraw/zinc/03/85/32/1067038532.db2.gz URRDVTFMKPYLER-GFCCVEGCSA-N 0 0 551.781 4.668 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1OC ZINC000409315238 1066357118 /nfs/dbraw/zinc/35/71/18/1066357118.db2.gz UUQNSGWNZGCSKF-JKSUJKDBSA-N 0 0 530.419 4.894 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409315240 1067038374 /nfs/dbraw/zinc/03/83/74/1067038374.db2.gz URRDVTFMKPYLER-LBPRGKRZSA-N 0 0 551.781 4.668 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OC(C)=O ZINC000409315412 1067038631 /nfs/dbraw/zinc/03/86/31/1067038631.db2.gz IRTDOWLIPCVSGH-UHFFFAOYSA-N 0 0 521.755 4.871 40 30 KJEBRN CCOC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC000409315415 1067038584 /nfs/dbraw/zinc/03/85/84/1067038584.db2.gz JKILZRBBMNORKX-INIZCTEOSA-N 0 0 529.435 4.563 40 30 KJEBRN CCOC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC000409315419 1067038440 /nfs/dbraw/zinc/03/84/40/1067038440.db2.gz JKILZRBBMNORKX-MRXNPFEDSA-N 0 0 529.435 4.563 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c(I)c1 ZINC000409315607 1067043569 /nfs/dbraw/zinc/04/35/69/1067043569.db2.gz NVGHMOCPKZLOCI-LLVKDONJSA-N 0 0 526.172 4.865 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c(I)c1 ZINC000409315610 1067043719 /nfs/dbraw/zinc/04/37/19/1067043719.db2.gz NVGHMOCPKZLOCI-NSHDSACASA-N 0 0 526.172 4.865 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c(OCC)c1 ZINC000409315626 1067043604 /nfs/dbraw/zinc/04/36/04/1067043604.db2.gz KAVJWKVRELWYPF-UHFFFAOYSA-N 0 0 536.810 4.598 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409315635 1067043544 /nfs/dbraw/zinc/04/35/44/1067043544.db2.gz WGVNSUJNPNVBEU-UHFFFAOYSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409315714 1066356895 /nfs/dbraw/zinc/35/68/95/1066356895.db2.gz OGPOKJXRHQLVQI-CYBMUJFWSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409315720 1067043474 /nfs/dbraw/zinc/04/34/74/1067043474.db2.gz OGPOKJXRHQLVQI-ZDUSSCGKSA-N 0 0 565.808 4.886 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC)c(OC)c1 ZINC000409315724 1067043488 /nfs/dbraw/zinc/04/34/88/1067043488.db2.gz JSLSLYYFRBYAQV-CYBMUJFWSA-N 0 0 628.261 4.720 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC)c(OC)c1 ZINC000409315728 1067043685 /nfs/dbraw/zinc/04/36/85/1067043685.db2.gz JSLSLYYFRBYAQV-ZDUSSCGKSA-N 0 0 628.261 4.720 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)c1OCC(N)=O ZINC000409315734 1067043461 /nfs/dbraw/zinc/04/34/61/1067043461.db2.gz WBMZXIYCZSMDRE-UHFFFAOYSA-N 0 0 592.288 4.724 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409315777 1067043558 /nfs/dbraw/zinc/04/35/58/1067043558.db2.gz JVEGYBYXMWIQKU-UHFFFAOYSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OCC)c(I)c1 ZINC000409315900 1067043518 /nfs/dbraw/zinc/04/35/18/1067043518.db2.gz KXIFHSDJTRCSAX-UHFFFAOYSA-N 0 0 598.235 4.540 40 30 KJEBRN C#CCOc1c(Cl)cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409315934 1066357022 /nfs/dbraw/zinc/35/70/22/1066357022.db2.gz XJBSGGMINYUCDZ-UHFFFAOYSA-N 0 0 517.767 4.957 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1[N+](=O)[O-] ZINC000409316004 1066357162 /nfs/dbraw/zinc/35/71/62/1066357162.db2.gz XAEDAUUTONNTIP-CABCVRRESA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1[N+](=O)[O-] ZINC000409316005 1067043701 /nfs/dbraw/zinc/04/37/01/1067043701.db2.gz XAEDAUUTONNTIP-GJZGRUSLSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1[N+](=O)[O-] ZINC000409316006 1067043225 /nfs/dbraw/zinc/04/32/25/1067043225.db2.gz XAEDAUUTONNTIP-HUUCEWRRSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1[N+](=O)[O-] ZINC000409316007 1066357068 /nfs/dbraw/zinc/35/70/68/1066357068.db2.gz XAEDAUUTONNTIP-LSDHHAIUSA-N 0 0 545.390 4.793 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC000409316023 1067043157 /nfs/dbraw/zinc/04/31/57/1067043157.db2.gz KEMGQOKQUSBVJN-UHFFFAOYSA-N 0 0 570.669 4.664 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409316033 1067043256 /nfs/dbraw/zinc/04/32/56/1067043256.db2.gz KKHVXMUPDUCMRM-HNNXBMFYSA-N 0 0 545.390 4.793 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409316034 1067043199 /nfs/dbraw/zinc/04/31/99/1067043199.db2.gz KKHVXMUPDUCMRM-OAHLLOKOSA-N 0 0 545.390 4.793 40 30 KJEBRN C#CCOc1cc(Br)c(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409316082 1067043747 /nfs/dbraw/zinc/04/37/47/1067043747.db2.gz XNTVBBNICXYHNW-UHFFFAOYSA-N 0 0 533.220 4.777 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000409316144 1067043615 /nfs/dbraw/zinc/04/36/15/1067043615.db2.gz PHFUBXAHKOSSKG-HNNXBMFYSA-N 0 0 507.388 4.572 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000409316150 1067043628 /nfs/dbraw/zinc/04/36/28/1067043628.db2.gz PHFUBXAHKOSSKG-OAHLLOKOSA-N 0 0 507.388 4.572 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409316211 1067043165 /nfs/dbraw/zinc/04/31/65/1067043165.db2.gz XZAKWNQBWXJALQ-INIZCTEOSA-N 0 0 636.341 4.563 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409316215 1067043143 /nfs/dbraw/zinc/04/31/43/1067043143.db2.gz XZAKWNQBWXJALQ-MRXNPFEDSA-N 0 0 636.341 4.563 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409316452 1066356859 /nfs/dbraw/zinc/35/68/59/1066356859.db2.gz QIGXZTVWCURNFY-UHFFFAOYSA-N 0 0 563.206 4.957 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409316486 1067043330 /nfs/dbraw/zinc/04/33/30/1067043330.db2.gz YEGCCBNLVYUZDH-HNNXBMFYSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409316487 1067043071 /nfs/dbraw/zinc/04/30/71/1067043071.db2.gz YEGCCBNLVYUZDH-OAHLLOKOSA-N 0 0 575.416 4.631 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409316545 1067043086 /nfs/dbraw/zinc/04/30/86/1067043086.db2.gz ZDRUHSVCFCMJSZ-CABCVRRESA-N 0 0 575.416 4.802 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409316546 1067043241 /nfs/dbraw/zinc/04/32/41/1067043241.db2.gz ZDRUHSVCFCMJSZ-GJZGRUSLSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409316547 1067043357 /nfs/dbraw/zinc/04/33/57/1067043357.db2.gz ZDRUHSVCFCMJSZ-HUUCEWRRSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409316548 1067043117 /nfs/dbraw/zinc/04/31/17/1067043117.db2.gz ZDRUHSVCFCMJSZ-LSDHHAIUSA-N 0 0 575.416 4.802 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)OC ZINC000409316641 1067043101 /nfs/dbraw/zinc/04/31/01/1067043101.db2.gz ZDSSNHCTZKPRTD-UHFFFAOYSA-N 0 0 536.810 4.598 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC#N)c(I)c1 ZINC000409316745 1066356912 /nfs/dbraw/zinc/35/69/12/1066356912.db2.gz MEGNDLDASXLQGH-UHFFFAOYSA-N 0 0 565.209 4.891 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCC(=O)N1CCOCC1 ZINC000409316824 1067042823 /nfs/dbraw/zinc/04/28/23/1067042823.db2.gz NGZANEJGYGGIIN-KRWDZBQOSA-N 0 0 650.368 4.954 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCC(=O)N1CCOCC1 ZINC000409316826 1067042855 /nfs/dbraw/zinc/04/28/55/1067042855.db2.gz NGZANEJGYGGIIN-QGZVFWFLSA-N 0 0 650.368 4.954 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC#N)c(I)c1 ZINC000409316897 1066357035 /nfs/dbraw/zinc/35/70/35/1066357035.db2.gz RMIYUKXDKSXNOK-UHFFFAOYSA-N 0 0 551.182 4.501 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@@H](C)C(=O)OC)c2ccccc12 ZINC000409316961 1067042779 /nfs/dbraw/zinc/04/27/79/1067042779.db2.gz RZRABRXKZSVZIF-INIZCTEOSA-N 0 0 509.404 4.991 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@H](C)C(=O)OC)c2ccccc12 ZINC000409316962 1067042704 /nfs/dbraw/zinc/04/27/04/1067042704.db2.gz RZRABRXKZSVZIF-MRXNPFEDSA-N 0 0 509.404 4.991 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OC)c([N+](=O)[O-])c1 ZINC000409317032 1067042918 /nfs/dbraw/zinc/04/29/18/1067042918.db2.gz NNVBHVXXACFPOY-UHFFFAOYSA-N 0 0 503.353 4.699 40 30 KJEBRN O=C(COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409317036 1067042872 /nfs/dbraw/zinc/04/28/72/1067042872.db2.gz NPTXBODKOMVOCM-UHFFFAOYSA-N 0 0 677.350 4.997 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O[C@@H](C)C(=O)OCC)c1 ZINC000409317038 1067042943 /nfs/dbraw/zinc/04/29/43/1067042943.db2.gz NPXKCFARRAIHQJ-INIZCTEOSA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O[C@H](C)C(=O)OCC)c1 ZINC000409317040 1067042737 /nfs/dbraw/zinc/04/27/37/1067042737.db2.gz NPXKCFARRAIHQJ-MRXNPFEDSA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)c(Cl)c1 ZINC000409317369 1067050078 /nfs/dbraw/zinc/05/00/78/1067050078.db2.gz PIDZHLZMWSHWKF-AWEZNQCLSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OC)c(Cl)c1 ZINC000409317371 1067049984 /nfs/dbraw/zinc/04/99/84/1067049984.db2.gz PIDZHLZMWSHWKF-CQSZACIVSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000409317376 1067049911 /nfs/dbraw/zinc/04/99/11/1067049911.db2.gz QAFPHHQZLTVPHD-UHFFFAOYSA-N 0 0 531.363 4.616 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC#N)c(OCC)c1 ZINC000409317395 1067049993 /nfs/dbraw/zinc/04/99/93/1067049993.db2.gz QGKWOEPKPBLXIO-UHFFFAOYSA-N 0 0 503.784 4.948 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409317407 1067049967 /nfs/dbraw/zinc/04/99/67/1067049967.db2.gz PRCRZWIXXLUTDS-HNNXBMFYSA-N 0 0 545.390 4.793 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(OCC)c1 ZINC000409317408 1067050229 /nfs/dbraw/zinc/05/02/29/1067050229.db2.gz QJGFHPNOTBHHNS-UHFFFAOYSA-N 0 0 530.419 4.723 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409317409 1067050010 /nfs/dbraw/zinc/05/00/10/1067050010.db2.gz PRCRZWIXXLUTDS-OAHLLOKOSA-N 0 0 545.390 4.793 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)OC(C)C ZINC000409317423 1067050215 /nfs/dbraw/zinc/05/02/15/1067050215.db2.gz QLPIKMKMSNMLHN-UHFFFAOYSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC#N)c(OCC)c1 ZINC000409317458 1067050060 /nfs/dbraw/zinc/05/00/60/1067050060.db2.gz QFERLYAFMXRQCF-UHFFFAOYSA-N 0 0 595.235 4.899 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)OC ZINC000409317473 1067049746 /nfs/dbraw/zinc/04/97/46/1067049746.db2.gz UDOMYUKAICMMAA-CYBMUJFWSA-N 0 0 536.810 4.769 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)OC ZINC000409317474 1067049719 /nfs/dbraw/zinc/04/97/19/1067049719.db2.gz UDOMYUKAICMMAA-ZDUSSCGKSA-N 0 0 536.810 4.769 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c(Br)c1 ZINC000409317534 1067049623 /nfs/dbraw/zinc/04/96/23/1067049623.db2.gz VBZBFVMNNXOTHK-UHFFFAOYSA-N 0 0 571.653 4.961 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCC(N)=O ZINC000409317716 1067049577 /nfs/dbraw/zinc/04/95/77/1067049577.db2.gz RXBKMHCJQWGGSW-UHFFFAOYSA-N 0 0 547.837 4.615 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000409317831 1067049548 /nfs/dbraw/zinc/04/95/48/1067049548.db2.gz WFJFPMRELVHJMG-CYBMUJFWSA-N 0 0 506.784 4.760 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000409317832 1067049593 /nfs/dbraw/zinc/04/95/93/1067049593.db2.gz WFJFPMRELVHJMG-ZDUSSCGKSA-N 0 0 506.784 4.760 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCC(=O)N1CCOCC1 ZINC000409317992 1067049806 /nfs/dbraw/zinc/04/98/06/1067049806.db2.gz SKSOKFOBMADNAS-UHFFFAOYSA-N 0 0 617.928 4.989 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409318025 1066356942 /nfs/dbraw/zinc/35/69/42/1066356942.db2.gz SNZKZPGRNBRRIL-UHFFFAOYSA-N 0 0 709.379 4.940 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCC(N)=O ZINC000409318036 1066356988 /nfs/dbraw/zinc/35/69/88/1066356988.db2.gz SQXFVWPPVIYEOL-CYBMUJFWSA-N 0 0 580.277 4.580 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCC(N)=O ZINC000409318038 1067049735 /nfs/dbraw/zinc/04/97/35/1067049735.db2.gz SQXFVWPPVIYEOL-ZDUSSCGKSA-N 0 0 580.277 4.580 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409318056 1067049653 /nfs/dbraw/zinc/04/96/53/1067049653.db2.gz STGAXVJHAYOJDW-UHFFFAOYSA-N 0 0 553.329 4.997 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409318126 1067049668 /nfs/dbraw/zinc/04/96/68/1067049668.db2.gz XHJSKOYVWWYZPR-UHFFFAOYSA-N 0 0 553.329 4.997 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC000409318167 1066356972 /nfs/dbraw/zinc/35/69/72/1066356972.db2.gz XIXPOSVWXMUCTH-HNNXBMFYSA-N 0 0 516.392 4.505 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC000409318170 1067049684 /nfs/dbraw/zinc/04/96/84/1067049684.db2.gz XIXPOSVWXMUCTH-OAHLLOKOSA-N 0 0 516.392 4.505 40 30 KJEBRN C=CCOc1c(OCC)cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409318242 1067049278 /nfs/dbraw/zinc/04/92/78/1067049278.db2.gz ULJYOAHHEQRMHA-UHFFFAOYSA-N 0 0 515.364 4.865 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OCC)c(I)c1 ZINC000409318289 1067049777 /nfs/dbraw/zinc/04/97/77/1067049777.db2.gz YBCSBXBOBLKOIR-AWEZNQCLSA-N 0 0 612.262 4.929 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OCC)c(I)c1 ZINC000409318292 1067049605 /nfs/dbraw/zinc/04/96/05/1067049605.db2.gz YBCSBXBOBLKOIR-CQSZACIVSA-N 0 0 612.262 4.929 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c1 ZINC000409318447 1067049215 /nfs/dbraw/zinc/04/92/15/1067049215.db2.gz YFOMLXGSHGXQPX-CVEARBPZSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c1 ZINC000409318450 1066356957 /nfs/dbraw/zinc/35/69/57/1066356957.db2.gz YFOMLXGSHGXQPX-HOTGVXAUSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c1 ZINC000409318452 1067049328 /nfs/dbraw/zinc/04/93/28/1067049328.db2.gz YFOMLXGSHGXQPX-HZPDHXFCSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c1 ZINC000409318456 1067049449 /nfs/dbraw/zinc/04/94/49/1067049449.db2.gz YFOMLXGSHGXQPX-JKSUJKDBSA-N 0 0 500.393 4.885 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OCC)c(OC)c1 ZINC000409318473 1067049383 /nfs/dbraw/zinc/04/93/83/1067049383.db2.gz VWBKZYBFCIIYAL-UHFFFAOYSA-N 0 0 550.837 4.988 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409318484 1067049355 /nfs/dbraw/zinc/04/93/55/1067049355.db2.gz YKELXUKIVMOJOY-HNNXBMFYSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409318486 1067049315 /nfs/dbraw/zinc/04/93/15/1067049315.db2.gz YKELXUKIVMOJOY-OAHLLOKOSA-N 0 0 545.390 4.622 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC000409318492 1067049290 /nfs/dbraw/zinc/04/92/90/1067049290.db2.gz YLAYVUJXGLELCK-CVEARBPZSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC000409318493 1066357133 /nfs/dbraw/zinc/35/71/33/1066357133.db2.gz YLAYVUJXGLELCK-HOTGVXAUSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC000409318495 1067049302 /nfs/dbraw/zinc/04/93/02/1067049302.db2.gz YLAYVUJXGLELCK-HZPDHXFCSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC000409318497 1067049369 /nfs/dbraw/zinc/04/93/69/1067049369.db2.gz YLAYVUJXGLELCK-JKSUJKDBSA-N 0 0 500.393 4.885 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)c(I)c1 ZINC000409318572 1067049195 /nfs/dbraw/zinc/04/91/95/1067049195.db2.gz WWOZIUYJPLTOPS-UHFFFAOYSA-N 0 0 540.199 4.997 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(I)c1 ZINC000409318673 1067049435 /nfs/dbraw/zinc/04/94/35/1067049435.db2.gz WYNFTEDPXUVSFJ-UHFFFAOYSA-N 0 0 612.262 4.929 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(=O)OCC)c2ccccc12 ZINC000409318740 1066357006 /nfs/dbraw/zinc/35/70/06/1066357006.db2.gz XTEPLKMELQNFHM-UHFFFAOYSA-N 0 0 509.404 4.820 40 30 KJEBRN COC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409318769 1067049343 /nfs/dbraw/zinc/04/93/43/1067049343.db2.gz ZKQJRQOIDIQJJN-UHFFFAOYSA-N 0 0 543.374 4.549 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OCC ZINC000409318958 1067049068 /nfs/dbraw/zinc/04/90/68/1067049068.db2.gz ZBSMXIYRWFOIAC-CYBMUJFWSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OCC ZINC000409318960 1067049051 /nfs/dbraw/zinc/04/90/51/1067049051.db2.gz ZBSMXIYRWFOIAC-ZDUSSCGKSA-N 0 0 565.808 4.886 40 30 KJEBRN N#CCOc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000409319069 1067049245 /nfs/dbraw/zinc/04/92/45/1067049245.db2.gz ZRNFHCCNVYASCW-UHFFFAOYSA-N 0 0 510.348 4.899 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OCC)c(OC)c1 ZINC000409319165 1067048954 /nfs/dbraw/zinc/04/89/54/1067048954.db2.gz BIRJHQNXIMWVMR-INIZCTEOSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OCC)c(OC)c1 ZINC000409319166 1067048878 /nfs/dbraw/zinc/04/88/78/1067048878.db2.gz BIRJHQNXIMWVMR-MRXNPFEDSA-N 0 0 530.419 4.723 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC000409319170 1067049116 /nfs/dbraw/zinc/04/91/16/1067049116.db2.gz BNVONJUQBHBVMH-IBGZPJMESA-N 0 0 577.479 4.946 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC000409319171 1067048905 /nfs/dbraw/zinc/04/89/05/1067048905.db2.gz BNVONJUQBHBVMH-LJQANCHMSA-N 0 0 577.479 4.946 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1OCC(N)=O ZINC000409319219 1067049021 /nfs/dbraw/zinc/04/90/21/1067049021.db2.gz CDKUXNOAOZRWDR-UHFFFAOYSA-N 0 0 547.837 4.615 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)OC ZINC000409319234 1066357090 /nfs/dbraw/zinc/35/70/90/1066357090.db2.gz CJQVITVQCJFNKH-CYBMUJFWSA-N 0 0 551.235 4.869 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)OC ZINC000409319235 1067049036 /nfs/dbraw/zinc/04/90/36/1067049036.db2.gz CJQVITVQCJFNKH-ZDUSSCGKSA-N 0 0 551.235 4.869 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC)c(OCC)c1 ZINC000409319480 1067048863 /nfs/dbraw/zinc/04/88/63/1067048863.db2.gz GYEWNQOVWTXCTF-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC000409319632 1067048970 /nfs/dbraw/zinc/04/89/70/1067048970.db2.gz JMIRHEYTUVMGTP-UHFFFAOYSA-N 0 0 596.309 4.928 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OC(C)=O ZINC000409319861 1067048918 /nfs/dbraw/zinc/04/89/18/1067048918.db2.gz MVGOLXDCTFMEIZ-CYBMUJFWSA-N 0 0 531.363 4.787 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OC(C)=O ZINC000409319862 1067048819 /nfs/dbraw/zinc/04/88/19/1067048819.db2.gz MVGOLXDCTFMEIZ-ZDUSSCGKSA-N 0 0 531.363 4.787 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)c(Cl)c1Br ZINC000409319881 1067048892 /nfs/dbraw/zinc/04/88/92/1067048892.db2.gz NDUGPYBBTUBOPK-UHFFFAOYSA-N 0 0 601.679 4.970 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)OC(C)C ZINC000409319908 1067048930 /nfs/dbraw/zinc/04/89/30/1067048930.db2.gz NNRSPTMKCBYSQB-INIZCTEOSA-N 0 0 530.419 4.894 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)OC(C)C ZINC000409319909 1067049086 /nfs/dbraw/zinc/04/90/86/1067049086.db2.gz NNRSPTMKCBYSQB-MRXNPFEDSA-N 0 0 530.419 4.894 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OCC ZINC000409319961 1067048472 /nfs/dbraw/zinc/04/84/72/1067048472.db2.gz ODVVVDRPCNTCDE-CYBMUJFWSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OCC ZINC000409319963 1067048679 /nfs/dbraw/zinc/04/86/79/1067048679.db2.gz ODVVVDRPCNTCDE-ZDUSSCGKSA-N 0 0 610.259 4.995 40 30 KJEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1OC ZINC000409319968 1067048568 /nfs/dbraw/zinc/04/85/68/1067048568.db2.gz AECUNRJCVOKXNM-UHFFFAOYSA-N 0 0 558.429 4.658 40 30 KJEBRN NC(=O)COc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409319993 1067048701 /nfs/dbraw/zinc/04/87/01/1067048701.db2.gz OIBLPLJMIXXWHL-UHFFFAOYSA-N 0 0 517.811 4.606 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409320038 1067049101 /nfs/dbraw/zinc/04/91/01/1067049101.db2.gz BDFXMECPWJVQIQ-UHFFFAOYSA-N 0 0 596.232 4.606 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(Br)c1 ZINC000409320039 1067048942 /nfs/dbraw/zinc/04/89/42/1067048942.db2.gz BDHHDYGLBRWOOI-UHFFFAOYSA-N 0 0 626.733 4.647 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)cc1Br ZINC000409320108 1067048585 /nfs/dbraw/zinc/04/85/85/1067048585.db2.gz PBIWSRMBHIAQBG-INIZCTEOSA-N 0 0 636.341 4.563 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)cc1Br ZINC000409320109 1067048635 /nfs/dbraw/zinc/04/86/35/1067048635.db2.gz PBIWSRMBHIAQBG-MRXNPFEDSA-N 0 0 636.341 4.563 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409320165 1067048486 /nfs/dbraw/zinc/04/84/86/1067048486.db2.gz PKGQQFOCULDHHB-HNNXBMFYSA-N 0 0 557.401 4.937 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409320168 1067048439 /nfs/dbraw/zinc/04/84/39/1067048439.db2.gz PKGQQFOCULDHHB-OAHLLOKOSA-N 0 0 557.401 4.937 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1OCC(=O)OC ZINC000409320285 1067048453 /nfs/dbraw/zinc/04/84/53/1067048453.db2.gz AFBFMFQNJSEISJ-INIZCTEOSA-N 0 0 542.430 4.844 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCC(=O)OC ZINC000409320289 1066355974 /nfs/dbraw/zinc/35/59/74/1066355974.db2.gz AFBFMFQNJSEISJ-MRXNPFEDSA-N 0 0 542.430 4.844 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000409320342 1067048652 /nfs/dbraw/zinc/04/86/52/1067048652.db2.gz AJYYJORTAFCXCB-UHFFFAOYSA-N 0 0 506.784 4.589 40 30 KJEBRN CC(=O)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000409320395 1067048318 /nfs/dbraw/zinc/04/83/18/1067048318.db2.gz CZXAUTNZAUCBLI-UHFFFAOYSA-N 0 0 513.348 4.922 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409320489 1067048424 /nfs/dbraw/zinc/04/84/24/1067048424.db2.gz PZYFTZIURCLHHI-CYBMUJFWSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409320490 1067048409 /nfs/dbraw/zinc/04/84/09/1067048409.db2.gz PZYFTZIURCLHHI-ZDUSSCGKSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(I)o1 ZINC000409320505 1066356001 /nfs/dbraw/zinc/35/60/01/1066356001.db2.gz QDERQNQINLHTNK-UHFFFAOYSA-N 0 0 565.003 4.954 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000409320573 1067048167 /nfs/dbraw/zinc/04/81/67/1067048167.db2.gz DKOXJSVYADXVDI-UHFFFAOYSA-N 0 0 566.206 4.980 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409320593 1066356233 /nfs/dbraw/zinc/35/62/33/1066356233.db2.gz QPKHMDDISKPXPN-HNNXBMFYSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409320597 1067048185 /nfs/dbraw/zinc/04/81/85/1067048185.db2.gz QPKHMDDISKPXPN-OAHLLOKOSA-N 0 0 575.416 4.631 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1 ZINC000409320643 1067048070 /nfs/dbraw/zinc/04/80/70/1067048070.db2.gz BTUKYZDXOSCLHU-INIZCTEOSA-N 0 0 606.315 4.555 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1 ZINC000409320648 1067048153 /nfs/dbraw/zinc/04/81/53/1067048153.db2.gz BTUKYZDXOSCLHU-MRXNPFEDSA-N 0 0 606.315 4.555 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c(OC)c1 ZINC000409320715 1067048053 /nfs/dbraw/zinc/04/80/53/1067048053.db2.gz DVSLJLVBCKIKME-CYBMUJFWSA-N 0 0 536.810 4.769 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c(OC)c1 ZINC000409320719 1067048201 /nfs/dbraw/zinc/04/82/01/1067048201.db2.gz DVSLJLVBCKIKME-ZDUSSCGKSA-N 0 0 536.810 4.769 40 30 KJEBRN C=CCOc1c(OC)cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409320722 1067048257 /nfs/dbraw/zinc/04/82/57/1067048257.db2.gz CNAJUTZHSFZEML-UHFFFAOYSA-N 0 0 515.364 4.865 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OCC ZINC000409320737 1067048084 /nfs/dbraw/zinc/04/80/84/1067048084.db2.gz COTRXUBHPWVHMT-INIZCTEOSA-N 0 0 530.419 4.895 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OCC ZINC000409320741 1067048333 /nfs/dbraw/zinc/04/83/33/1067048333.db2.gz COTRXUBHPWVHMT-MRXNPFEDSA-N 0 0 530.419 4.895 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC#N ZINC000409320753 1067048099 /nfs/dbraw/zinc/04/80/99/1067048099.db2.gz CQDVELMSEUOLRM-UHFFFAOYSA-N 0 0 549.179 4.567 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Cl)c1 ZINC000409320767 1067048286 /nfs/dbraw/zinc/04/82/86/1067048286.db2.gz RCOKQWMFTKQNCR-LLVKDONJSA-N 0 0 526.218 4.726 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Cl)c1 ZINC000409320770 1067048243 /nfs/dbraw/zinc/04/82/43/1067048243.db2.gz RCOKQWMFTKQNCR-NSHDSACASA-N 0 0 526.218 4.726 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000409320826 1067048135 /nfs/dbraw/zinc/04/81/35/1067048135.db2.gz FKGVRGGWGPFCCH-UHFFFAOYSA-N 0 0 551.235 4.698 40 30 KJEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Br ZINC000409320932 1066356046 /nfs/dbraw/zinc/35/60/46/1066356046.db2.gz DMQLOCQCHKBUDN-UHFFFAOYSA-N 0 0 562.262 4.716 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409320940 1067048230 /nfs/dbraw/zinc/04/82/30/1067048230.db2.gz CZUOEYOURGNZJJ-UHFFFAOYSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OC ZINC000409321029 1066356157 /nfs/dbraw/zinc/35/61/57/1066356157.db2.gz RJYVGPPQJHMVDJ-UHFFFAOYSA-N 0 0 509.198 4.773 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1O[C@@H](C)C(=O)OC ZINC000409321174 1067047850 /nfs/dbraw/zinc/04/78/50/1067047850.db2.gz GVCAQJTWUHRVMK-CABCVRRESA-N 0 0 516.392 4.504 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000409321176 1067047801 /nfs/dbraw/zinc/04/78/01/1067047801.db2.gz RUHZZFYXEZYQEF-UHFFFAOYSA-N 0 0 596.232 4.606 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1O[C@@H](C)C(=O)OC ZINC000409321178 1067047709 /nfs/dbraw/zinc/04/77/09/1067047709.db2.gz GVCAQJTWUHRVMK-GJZGRUSLSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1O[C@H](C)C(=O)OC ZINC000409321182 1066356217 /nfs/dbraw/zinc/35/62/17/1066356217.db2.gz GVCAQJTWUHRVMK-HUUCEWRRSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1O[C@H](C)C(=O)OC ZINC000409321185 1067047675 /nfs/dbraw/zinc/04/76/75/1067047675.db2.gz GVCAQJTWUHRVMK-LSDHHAIUSA-N 0 0 516.392 4.504 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)OC(C)C ZINC000409321260 1067047957 /nfs/dbraw/zinc/04/79/57/1067047957.db2.gz SIBLAPWDUNBSGD-UHFFFAOYSA-N 0 0 543.462 4.780 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(N)=O)c(Cl)c1Br ZINC000409321330 1066356113 /nfs/dbraw/zinc/35/61/13/1066356113.db2.gz FXOCKEHETYSRCI-UHFFFAOYSA-N 0 0 600.695 4.672 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(N)=O ZINC000409321454 1067047591 /nfs/dbraw/zinc/04/75/91/1067047591.db2.gz GQDOYJSRFYANGF-LLVKDONJSA-N 0 0 570.669 4.835 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(N)=O ZINC000409321458 1067047408 /nfs/dbraw/zinc/04/74/08/1067047408.db2.gz GQDOYJSRFYANGF-NSHDSACASA-N 0 0 570.669 4.835 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)OC)cc1Br ZINC000409321459 1067047889 /nfs/dbraw/zinc/04/78/89/1067047889.db2.gz HSDKOLWFHUIFMH-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409321469 1066356438 /nfs/dbraw/zinc/35/64/38/1066356438.db2.gz GNBOKLPTHFYJCQ-CYBMUJFWSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409321472 1067047920 /nfs/dbraw/zinc/04/79/20/1067047920.db2.gz GNBOKLPTHFYJCQ-ZDUSSCGKSA-N 0 0 565.808 4.886 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1 ZINC000409321480 1067047692 /nfs/dbraw/zinc/04/76/92/1067047692.db2.gz GSFXYZVAFPAATA-CVEARBPZSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1 ZINC000409321484 1067047818 /nfs/dbraw/zinc/04/78/18/1067047818.db2.gz GSFXYZVAFPAATA-HOTGVXAUSA-N 0 0 500.393 4.885 40 30 KJEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409321485 1067047875 /nfs/dbraw/zinc/04/78/75/1067047875.db2.gz HVFZQHAAWSXPCO-UHFFFAOYSA-N 0 0 543.374 4.549 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1 ZINC000409321487 1067047743 /nfs/dbraw/zinc/04/77/43/1067047743.db2.gz GSFXYZVAFPAATA-HZPDHXFCSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1 ZINC000409321489 1067047770 /nfs/dbraw/zinc/04/77/70/1067047770.db2.gz GSFXYZVAFPAATA-JKSUJKDBSA-N 0 0 500.393 4.885 40 30 KJEBRN O=C(COc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)N1CCOCC1 ZINC000409321504 1067047784 /nfs/dbraw/zinc/04/77/84/1067047784.db2.gz IAQOEHLDQKEPCQ-UHFFFAOYSA-N 0 0 587.902 4.980 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@H](C)C(=O)OC ZINC000409321586 1067047478 /nfs/dbraw/zinc/04/74/78/1067047478.db2.gz GWLIFCMDGIBTCR-CYBMUJFWSA-N 0 0 536.810 4.596 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)OC ZINC000409321590 1066356564 /nfs/dbraw/zinc/35/65/64/1066356564.db2.gz GWLIFCMDGIBTCR-ZDUSSCGKSA-N 0 0 536.810 4.596 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)OCC ZINC000409321639 1067047525 /nfs/dbraw/zinc/04/75/25/1067047525.db2.gz UELIEOUTCLPSDT-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)OC(C)C ZINC000409321642 1067047379 /nfs/dbraw/zinc/04/73/79/1067047379.db2.gz ITFXGHXWUQFDCW-UHFFFAOYSA-N 0 0 500.393 4.714 40 30 KJEBRN C#CCOc1c(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000409321709 1067047318 /nfs/dbraw/zinc/04/73/18/1067047318.db2.gz HENJRVJTTCDRIR-UHFFFAOYSA-N 0 0 503.740 4.567 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)OCC ZINC000409321712 1067047575 /nfs/dbraw/zinc/04/75/75/1067047575.db2.gz HENLKFIFKSDZPI-AWEZNQCLSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@H](C)C(=O)OCC ZINC000409321715 1067047509 /nfs/dbraw/zinc/04/75/09/1067047509.db2.gz HENLKFIFKSDZPI-CQSZACIVSA-N 0 0 550.837 4.986 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OC(C)=O ZINC000409321720 1066356662 /nfs/dbraw/zinc/35/66/62/1066356662.db2.gz HFUHCGWNSANTDF-UHFFFAOYSA-N 0 0 543.374 4.931 40 30 KJEBRN C#CCOc1c(Cl)cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409321787 1066356524 /nfs/dbraw/zinc/35/65/24/1066356524.db2.gz JNNTUGVYVAOPIS-UHFFFAOYSA-N 0 0 503.740 4.567 40 30 KJEBRN NC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000409321817 1066356702 /nfs/dbraw/zinc/35/67/02/1066356702.db2.gz JTSGKEIRCZZQJB-UHFFFAOYSA-N 0 0 562.808 4.515 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(=O)OC)c2ccccc12 ZINC000409321821 1067047450 /nfs/dbraw/zinc/04/74/50/1067047450.db2.gz JVAIHSYZMPTGBK-HNNXBMFYSA-N 0 0 509.404 4.991 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(=O)OC)c2ccccc12 ZINC000409321823 1067047393 /nfs/dbraw/zinc/04/73/93/1067047393.db2.gz JVAIHSYZMPTGBK-OAHLLOKOSA-N 0 0 509.404 4.991 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OC(C)=O ZINC000409322171 1066356537 /nfs/dbraw/zinc/35/65/37/1066356537.db2.gz JCKJHZFKJRSRDR-UHFFFAOYSA-N 0 0 507.182 4.682 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1O[C@@H](C)C(=O)OC ZINC000409322197 1067046965 /nfs/dbraw/zinc/04/69/65/1067046965.db2.gz JHBJDGDAMSUDFV-CVEARBPZSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1O[C@@H](C)C(=O)OC ZINC000409322198 1067047037 /nfs/dbraw/zinc/04/70/37/1067047037.db2.gz JHBJDGDAMSUDFV-HOTGVXAUSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1O[C@H](C)C(=O)OC ZINC000409322200 1067047010 /nfs/dbraw/zinc/04/70/10/1067047010.db2.gz JHBJDGDAMSUDFV-HZPDHXFCSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1O[C@H](C)C(=O)OC ZINC000409322202 1067047022 /nfs/dbraw/zinc/04/70/22/1067047022.db2.gz JHBJDGDAMSUDFV-JKSUJKDBSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC000409322215 1067047178 /nfs/dbraw/zinc/04/71/78/1067047178.db2.gz LDDSUIBXBMYDHQ-CABCVRRESA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000409322217 1067046950 /nfs/dbraw/zinc/04/69/50/1067046950.db2.gz LDDSUIBXBMYDHQ-GJZGRUSLSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC000409322220 1067047159 /nfs/dbraw/zinc/04/71/59/1067047159.db2.gz LDDSUIBXBMYDHQ-HUUCEWRRSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000409322223 1067047069 /nfs/dbraw/zinc/04/70/69/1067047069.db2.gz LDDSUIBXBMYDHQ-LSDHHAIUSA-N 0 0 545.390 4.793 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OC(C)=O)cc1Br ZINC000409322240 1067047109 /nfs/dbraw/zinc/04/71/09/1067047109.db2.gz LGJAJLJJIPTNOA-UHFFFAOYSA-N 0 0 537.208 4.690 40 30 KJEBRN Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc2n1CC(N)=O ZINC000409322260 1067046933 /nfs/dbraw/zinc/04/69/33/1067046933.db2.gz JNGIJDGFPXJKHI-UHFFFAOYSA-N 0 0 520.431 4.837 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OC(C)C)c([N+](=O)[O-])c1 ZINC000409322339 1067047213 /nfs/dbraw/zinc/04/72/13/1067047213.db2.gz KAYLTRWWKXPPNM-UHFFFAOYSA-N 0 0 503.353 4.698 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(=O)N2CCOCC2)c2ccccc12 ZINC000409322344 1067047194 /nfs/dbraw/zinc/04/71/94/1067047194.db2.gz JFZYAEISKAMEKP-GOSISDBHSA-N 0 0 564.484 4.677 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(=O)N2CCOCC2)c2ccccc12 ZINC000409322347 1067047127 /nfs/dbraw/zinc/04/71/27/1067047127.db2.gz JFZYAEISKAMEKP-SFHVURJKSA-N 0 0 564.484 4.677 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC000409322531 1067047053 /nfs/dbraw/zinc/04/70/53/1067047053.db2.gz KGIDIGQVKWOOSL-LLVKDONJSA-N 0 0 615.120 4.944 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC000409322533 1067046997 /nfs/dbraw/zinc/04/69/97/1067046997.db2.gz KGIDIGQVKWOOSL-NSHDSACASA-N 0 0 615.120 4.944 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)OC ZINC000409322686 1067046706 /nfs/dbraw/zinc/04/67/06/1067046706.db2.gz LIOFGKYHTTVNGF-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC000409322754 1066356578 /nfs/dbraw/zinc/35/65/78/1066356578.db2.gz KUJMGWMQXFVGBZ-CYBMUJFWSA-N 0 0 581.261 4.878 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC000409322755 1067046718 /nfs/dbraw/zinc/04/67/18/1067046718.db2.gz KUJMGWMQXFVGBZ-ZDUSSCGKSA-N 0 0 581.261 4.878 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)OCC ZINC000409322785 1067046531 /nfs/dbraw/zinc/04/65/31/1067046531.db2.gz LCACSSQTRWYSQS-UHFFFAOYSA-N 0 0 520.811 4.979 40 30 KJEBRN O=C(COc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409322812 1066356380 /nfs/dbraw/zinc/35/63/80/1066356380.db2.gz XYZYFHLBVJYDMQ-UHFFFAOYSA-N 0 0 677.350 4.997 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)OC(C)C ZINC000409322954 1067046789 /nfs/dbraw/zinc/04/67/89/1067046789.db2.gz YVDGIAVLOQAYPA-HNNXBMFYSA-N 0 0 545.390 4.793 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)OC(C)C ZINC000409322956 1067046586 /nfs/dbraw/zinc/04/65/86/1067046586.db2.gz YVDGIAVLOQAYPA-OAHLLOKOSA-N 0 0 545.390 4.793 40 30 KJEBRN O=C(COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409322988 1067046756 /nfs/dbraw/zinc/04/67/56/1067046756.db2.gz YYTSWYIYEUZXIZ-UHFFFAOYSA-N 0 0 632.899 4.888 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409323114 1067046694 /nfs/dbraw/zinc/04/66/94/1067046694.db2.gz NHVUPRBMAMWZEP-GFCCVEGCSA-N 0 0 596.232 4.777 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409323115 1067046805 /nfs/dbraw/zinc/04/68/05/1067046805.db2.gz NHVUPRBMAMWZEP-LBPRGKRZSA-N 0 0 596.232 4.777 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC000409323116 1066356417 /nfs/dbraw/zinc/35/64/17/1066356417.db2.gz NHVZBVPWPAFATM-UHFFFAOYSA-N 0 0 605.917 4.674 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(N)=O)c(Br)c1Br ZINC000409323225 1067046655 /nfs/dbraw/zinc/04/66/55/1067046655.db2.gz ZRASQJHXCAGAKN-UHFFFAOYSA-N 0 0 645.146 4.782 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409323284 1067046666 /nfs/dbraw/zinc/04/66/66/1067046666.db2.gz NEYIKFAIONFYLP-CABCVRRESA-N 0 0 546.418 4.512 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409323286 1067046730 /nfs/dbraw/zinc/04/67/30/1067046730.db2.gz NEYIKFAIONFYLP-GJZGRUSLSA-N 0 0 546.418 4.512 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409323288 1067046820 /nfs/dbraw/zinc/04/68/20/1067046820.db2.gz NEYIKFAIONFYLP-HUUCEWRRSA-N 0 0 546.418 4.512 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409323289 1067046639 /nfs/dbraw/zinc/04/66/39/1067046639.db2.gz NEYIKFAIONFYLP-LSDHHAIUSA-N 0 0 546.418 4.512 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1O[C@@H](C)C(=O)OCC ZINC000409323308 1067046315 /nfs/dbraw/zinc/04/63/15/1067046315.db2.gz NIVLVIFOIZKKSQ-INIZCTEOSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1O[C@H](C)C(=O)OCC ZINC000409323310 1067046679 /nfs/dbraw/zinc/04/66/79/1067046679.db2.gz NIVLVIFOIZKKSQ-MRXNPFEDSA-N 0 0 530.419 4.723 40 30 KJEBRN O=C(COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409323342 1067046548 /nfs/dbraw/zinc/04/65/48/1067046548.db2.gz NJEANTLEWYMISC-UHFFFAOYSA-N 0 0 632.899 4.888 40 30 KJEBRN C#CCOc1c(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409323345 1067046607 /nfs/dbraw/zinc/04/66/07/1067046607.db2.gz NJVDLFHCLVSSAY-UHFFFAOYSA-N 0 0 548.191 4.676 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC000409323426 1067046742 /nfs/dbraw/zinc/04/67/42/1067046742.db2.gz NWHAEZXQPFJTJL-UHFFFAOYSA-N 0 0 564.396 4.919 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC)c([N+](=O)[O-])c1 ZINC000409323564 1067046408 /nfs/dbraw/zinc/04/64/08/1067046408.db2.gz OIOCZAAKVIHHNK-UHFFFAOYSA-N 0 0 503.353 4.699 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OC)c(I)c1 ZINC000409323647 1067046250 /nfs/dbraw/zinc/04/62/50/1067046250.db2.gz OXKWVMKVDMGKSI-CYBMUJFWSA-N 0 0 598.235 4.539 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)c(I)c1 ZINC000409323649 1066356592 /nfs/dbraw/zinc/35/65/92/1066356592.db2.gz OXKWVMKVDMGKSI-ZDUSSCGKSA-N 0 0 598.235 4.539 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC ZINC000409323655 1067046421 /nfs/dbraw/zinc/04/64/21/1067046421.db2.gz OXKLSFZSFGPAKQ-AWEZNQCLSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC ZINC000409323657 1067046187 /nfs/dbraw/zinc/04/61/87/1067046187.db2.gz OXKLSFZSFGPAKQ-CQSZACIVSA-N 0 0 520.811 4.978 40 30 KJEBRN C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC000409323670 1067046347 /nfs/dbraw/zinc/04/63/47/1067046347.db2.gz OZAHUKWGCCDVPC-UHFFFAOYSA-N 0 0 611.537 4.749 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000409323736 1067046454 /nfs/dbraw/zinc/04/64/54/1067046454.db2.gz PPWBYJWLCATFEI-GFCCVEGCSA-N 0 0 596.232 4.777 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000409323738 1067046332 /nfs/dbraw/zinc/04/63/32/1067046332.db2.gz PPWBYJWLCATFEI-LBPRGKRZSA-N 0 0 596.232 4.777 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(=O)N3CCOCC3)cc2)c1C ZINC000409323754 1067046263 /nfs/dbraw/zinc/04/62/63/1067046263.db2.gz QARQOFONGBBUCP-UHFFFAOYSA-N 0 0 606.521 4.639 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)OC)c(OCC)c1 ZINC000409323811 1067046377 /nfs/dbraw/zinc/04/63/77/1067046377.db2.gz QXOLXYFZENYSQA-AWEZNQCLSA-N 0 0 642.288 4.937 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)OC)c(OCC)c1 ZINC000409323812 1067046443 /nfs/dbraw/zinc/04/64/43/1067046443.db2.gz QXOLXYFZENYSQA-CQSZACIVSA-N 0 0 642.288 4.937 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC000409323842 1067046298 /nfs/dbraw/zinc/04/62/98/1067046298.db2.gz RGKWBIHORSQYEZ-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OCC)c(OCC)c1 ZINC000409323866 1067046393 /nfs/dbraw/zinc/04/63/93/1067046393.db2.gz PYXVTCFJTVUPQY-UHFFFAOYSA-N 0 0 530.419 4.724 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC#N)cc1Br ZINC000409323872 1067046362 /nfs/dbraw/zinc/04/63/62/1067046362.db2.gz PZWVHHQIGVMRKG-UHFFFAOYSA-N 0 0 534.208 4.667 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OC ZINC000409323936 1067045802 /nfs/dbraw/zinc/04/58/02/1067045802.db2.gz QFKDAWXYXGJIJP-CYBMUJFWSA-N 0 0 503.353 4.870 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OC ZINC000409323938 1067045864 /nfs/dbraw/zinc/04/58/64/1067045864.db2.gz QFKDAWXYXGJIJP-ZDUSSCGKSA-N 0 0 503.353 4.870 40 30 KJEBRN NC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409324003 1067046215 /nfs/dbraw/zinc/04/62/15/1067046215.db2.gz QQSQRQQATATPBO-UHFFFAOYSA-N 0 0 562.808 4.515 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC#N)c(Br)c1 ZINC000409324010 1067046232 /nfs/dbraw/zinc/04/62/32/1067046232.db2.gz QOHIPESDAZWVNI-UHFFFAOYSA-N 0 0 504.182 4.659 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OCC ZINC000409324109 1066356622 /nfs/dbraw/zinc/35/66/22/1066356622.db2.gz RFGPXHAKSYSOKM-UHFFFAOYSA-N 0 0 610.259 4.996 40 30 KJEBRN C#CCOc1ccc(Br)cc1C=Nn1c(CCC)nc2ccc(Br)cc2c1=O ZINC000409324177 1067045911 /nfs/dbraw/zinc/04/59/11/1067045911.db2.gz RKIHSGXSVNFBPL-UHFFFAOYSA-N 0 0 503.194 4.768 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC000409324195 1066356399 /nfs/dbraw/zinc/35/63/99/1066356399.db2.gz SMYMBIJLJIUMPJ-CABCVRRESA-N 0 0 575.416 4.802 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000409324198 1067046054 /nfs/dbraw/zinc/04/60/54/1067046054.db2.gz SMYMBIJLJIUMPJ-GJZGRUSLSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC000409324201 1067045972 /nfs/dbraw/zinc/04/59/72/1067045972.db2.gz SMYMBIJLJIUMPJ-HUUCEWRRSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000409324204 1067045832 /nfs/dbraw/zinc/04/58/32/1067045832.db2.gz SMYMBIJLJIUMPJ-LSDHHAIUSA-N 0 0 575.416 4.802 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)=O)c(I)c1 ZINC000409324248 1067045787 /nfs/dbraw/zinc/04/57/87/1067045787.db2.gz SSCUHOLWQMBASL-UHFFFAOYSA-N 0 0 568.209 4.914 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409324364 1067045530 /nfs/dbraw/zinc/04/55/30/1067045530.db2.gz SMEWVCLNNDXTSP-IBGZPJMESA-N 0 0 597.510 4.529 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409324366 1067045642 /nfs/dbraw/zinc/04/56/42/1067045642.db2.gz SMEWVCLNNDXTSP-LJQANCHMSA-N 0 0 597.510 4.529 40 30 KJEBRN C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)OCC ZINC000409324425 1067046035 /nfs/dbraw/zinc/04/60/35/1067046035.db2.gz SLYDMEVEDBZXIX-UHFFFAOYSA-N 0 0 542.430 4.673 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1OCC(=O)OC ZINC000409324429 1067045817 /nfs/dbraw/zinc/04/58/17/1067045817.db2.gz UEJTUTZPBBIREP-HNNXBMFYSA-N 0 0 516.392 4.505 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1OCC(=O)OC ZINC000409324432 1067046002 /nfs/dbraw/zinc/04/60/02/1067046002.db2.gz UEJTUTZPBBIREP-OAHLLOKOSA-N 0 0 516.392 4.505 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC000409324439 1066355959 /nfs/dbraw/zinc/35/59/59/1066355959.db2.gz SWIJTRRUCMJILL-CVEARBPZSA-N 0 0 560.445 4.902 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC000409324442 1066356479 /nfs/dbraw/zinc/35/64/79/1066356479.db2.gz SWIJTRRUCMJILL-HOTGVXAUSA-N 0 0 560.445 4.902 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC000409324445 1067046017 /nfs/dbraw/zinc/04/60/17/1067046017.db2.gz SWIJTRRUCMJILL-HZPDHXFCSA-N 0 0 560.445 4.902 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC000409324448 1067045945 /nfs/dbraw/zinc/04/59/45/1067045945.db2.gz SWIJTRRUCMJILL-JKSUJKDBSA-N 0 0 560.445 4.902 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OCC#N ZINC000409324537 1067045423 /nfs/dbraw/zinc/04/54/23/1067045423.db2.gz URNFLHVYJXYABX-AWEZNQCLSA-N 0 0 528.363 4.764 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OCC#N ZINC000409324541 1067045617 /nfs/dbraw/zinc/04/56/17/1067045617.db2.gz URNFLHVYJXYABX-CQSZACIVSA-N 0 0 528.363 4.764 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Cl)N1CCOCC1 ZINC000409324616 1067045501 /nfs/dbraw/zinc/04/55/01/1067045501.db2.gz UKILMCIIGSHRQW-UHFFFAOYSA-N 0 0 587.902 4.980 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409324640 1067045542 /nfs/dbraw/zinc/04/55/42/1067045542.db2.gz VHDLPLFKLPOJOM-HNNXBMFYSA-N 0 0 557.401 4.937 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409324642 1067045604 /nfs/dbraw/zinc/04/56/04/1067045604.db2.gz VHDLPLFKLPOJOM-OAHLLOKOSA-N 0 0 557.401 4.937 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OC ZINC000409324656 1067045558 /nfs/dbraw/zinc/04/55/58/1067045558.db2.gz UHHMCPIUAHHFLG-AWEZNQCLSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@H](C)C(=O)OC ZINC000409324657 1067045472 /nfs/dbraw/zinc/04/54/72/1067045472.db2.gz UHHMCPIUAHHFLG-CQSZACIVSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(I)c1 ZINC000409324725 1067045655 /nfs/dbraw/zinc/04/56/55/1067045655.db2.gz VDXFMTKTQMRPIZ-UHFFFAOYSA-N 0 0 598.235 4.540 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(I)c1OCC(N)=O ZINC000409324735 1067045572 /nfs/dbraw/zinc/04/55/72/1067045572.db2.gz VGGKELJDBYNPIK-UHFFFAOYSA-N 0 0 653.315 4.956 40 30 KJEBRN C#CCOc1c(Br)cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409324801 1067045669 /nfs/dbraw/zinc/04/56/69/1067045669.db2.gz VNBISLAWDBZCMM-UHFFFAOYSA-N 0 0 548.191 4.676 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)OC(C)C ZINC000409324886 1067045682 /nfs/dbraw/zinc/04/56/82/1067045682.db2.gz VNBFIKNXRZCQDR-UHFFFAOYSA-N 0 0 530.419 4.723 40 30 KJEBRN C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@@H](C)C(=O)OC ZINC000409324904 1067045456 /nfs/dbraw/zinc/04/54/56/1067045456.db2.gz WDIDNUOHLVIOHK-INIZCTEOSA-N 0 0 542.430 4.671 40 30 KJEBRN C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@H](C)C(=O)OC ZINC000409324953 1066358371 /nfs/dbraw/zinc/35/83/71/1066358371.db2.gz WDIDNUOHLVIOHK-MRXNPFEDSA-N 0 0 542.430 4.671 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)N2CCOCC2)c(Br)c1 ZINC000409325029 1066358493 /nfs/dbraw/zinc/35/84/93/1066358493.db2.gz WRVXHNAILGYBRC-UHFFFAOYSA-N 0 0 671.184 4.756 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)OC ZINC000409325085 1066358505 /nfs/dbraw/zinc/35/85/05/1066358505.db2.gz WQFXJSVTTPCKDR-CYBMUJFWSA-N 0 0 581.261 4.878 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)OC ZINC000409325088 1066358459 /nfs/dbraw/zinc/35/84/59/1066358459.db2.gz WQFXJSVTTPCKDR-ZDUSSCGKSA-N 0 0 581.261 4.878 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC(C)C)c(OC)c1 ZINC000409325094 1067045237 /nfs/dbraw/zinc/04/52/37/1067045237.db2.gz WYIAZQCXQKJPQB-INIZCTEOSA-N 0 0 560.445 4.902 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC(C)C)c(OC)c1 ZINC000409325097 1067045281 /nfs/dbraw/zinc/04/52/81/1067045281.db2.gz WYIAZQCXQKJPQB-MRXNPFEDSA-N 0 0 560.445 4.902 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409325137 1066358398 /nfs/dbraw/zinc/35/83/98/1066358398.db2.gz WVPMKDQNXSRBDP-UHFFFAOYSA-N 0 0 528.363 4.593 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c(Br)c1Br ZINC000409325144 1067045067 /nfs/dbraw/zinc/04/50/67/1067045067.db2.gz XDGXASXGDUYOHK-UHFFFAOYSA-N 0 0 701.210 4.765 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409325165 1067045100 /nfs/dbraw/zinc/04/51/00/1067045100.db2.gz WZJBTWBSDFIYQX-UHFFFAOYSA-N 0 0 617.928 4.989 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)OC(C)C ZINC000409325215 1066358428 /nfs/dbraw/zinc/35/84/28/1066358428.db2.gz XVHUFRATGAFNIB-KRWDZBQOSA-N 0 0 543.462 4.951 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)OC(C)C ZINC000409325216 1067045017 /nfs/dbraw/zinc/04/50/17/1067045017.db2.gz XVHUFRATGAFNIB-QGZVFWFLSA-N 0 0 543.462 4.951 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000409325259 1067045049 /nfs/dbraw/zinc/04/50/49/1067045049.db2.gz XIUFKBUUVDQZND-UHFFFAOYSA-N 0 0 521.755 4.871 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC000409325293 1066358318 /nfs/dbraw/zinc/35/83/18/1066358318.db2.gz XPBFZNWCTHFBLR-UHFFFAOYSA-N 0 0 610.259 4.996 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409325320 1067045132 /nfs/dbraw/zinc/04/51/32/1067045132.db2.gz XXOASJDITGCMFG-UHFFFAOYSA-N 0 0 587.427 4.948 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Cl)c1 ZINC000409325425 1067045117 /nfs/dbraw/zinc/04/51/17/1067045117.db2.gz YLYSWEZVRCRESY-UHFFFAOYSA-N 0 0 526.218 4.555 40 30 KJEBRN C#CCOc1c(OCC)cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409325457 1067045310 /nfs/dbraw/zinc/04/53/10/1067045310.db2.gz YUTDWGQVUCCRHN-UHFFFAOYSA-N 0 0 527.375 4.703 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC000409325483 1067045034 /nfs/dbraw/zinc/04/50/34/1067045034.db2.gz YWVCCHRVPWJHKQ-UHFFFAOYSA-N 0 0 575.416 4.633 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409325535 1066358383 /nfs/dbraw/zinc/35/83/83/1066358383.db2.gz ZTKZMBYBRRAENA-CABCVRRESA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409325536 1067044655 /nfs/dbraw/zinc/04/46/55/1067044655.db2.gz ZTKZMBYBRRAENA-GJZGRUSLSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409325537 1067045251 /nfs/dbraw/zinc/04/52/51/1067045251.db2.gz ZTKZMBYBRRAENA-HUUCEWRRSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409325538 1066358536 /nfs/dbraw/zinc/35/85/36/1066358536.db2.gz ZTKZMBYBRRAENA-LSDHHAIUSA-N 0 0 516.392 4.504 40 30 KJEBRN CCOC(=O)COc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000409325618 1067045197 /nfs/dbraw/zinc/04/51/97/1067045197.db2.gz YWFCJXWEVWYVAX-HNNXBMFYSA-N 0 0 575.416 4.804 40 30 KJEBRN CCOC(=O)COc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC000409325619 1067045085 /nfs/dbraw/zinc/04/50/85/1067045085.db2.gz YWFCJXWEVWYVAX-OAHLLOKOSA-N 0 0 575.416 4.804 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@H](C)C(=O)OC ZINC000409325751 1067044689 /nfs/dbraw/zinc/04/46/89/1067044689.db2.gz AOUIUEHVYPGZPP-CYBMUJFWSA-N 0 0 551.235 4.697 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@@H](C)C(=O)OC ZINC000409325752 1067044760 /nfs/dbraw/zinc/04/47/60/1067044760.db2.gz AOUIUEHVYPGZPP-ZDUSSCGKSA-N 0 0 551.235 4.697 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)OC(C)C)c1 ZINC000409325781 1066358256 /nfs/dbraw/zinc/35/82/56/1066358256.db2.gz AYYUURVASDCRBE-INIZCTEOSA-N 0 0 500.393 4.885 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)OC(C)C)c1 ZINC000409325782 1067044893 /nfs/dbraw/zinc/04/48/93/1067044893.db2.gz AYYUURVASDCRBE-MRXNPFEDSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409325821 1067044865 /nfs/dbraw/zinc/04/48/65/1067044865.db2.gz BMVKGLUXMUZXKZ-KRWDZBQOSA-N 0 0 697.368 4.796 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409325822 1067044836 /nfs/dbraw/zinc/04/48/36/1067044836.db2.gz BMVKGLUXMUZXKZ-QGZVFWFLSA-N 0 0 697.368 4.796 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)OC(C)C)c1 ZINC000409325950 1067044805 /nfs/dbraw/zinc/04/48/05/1067044805.db2.gz DOWVZNXLYQBAPI-UHFFFAOYSA-N 0 0 500.393 4.714 40 30 KJEBRN N#CCOc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409326020 1067044704 /nfs/dbraw/zinc/04/47/04/1067044704.db2.gz FQRBXNUTMOQATM-UHFFFAOYSA-N 0 0 510.348 4.899 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(=O)OC)c2ccccc12 ZINC000409326042 1067044848 /nfs/dbraw/zinc/04/48/48/1067044848.db2.gz FWYQCFJLHMOTTR-UHFFFAOYSA-N 0 0 509.404 4.820 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc2c(cc1Br)OCO2 ZINC000409326126 1067044821 /nfs/dbraw/zinc/04/48/21/1067044821.db2.gz HBBMGWBMBAPBME-UHFFFAOYSA-N 0 0 507.182 4.875 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=S)N(CCC)C2=O)cc1I ZINC000409326342 1067044906 /nfs/dbraw/zinc/04/49/06/1067044906.db2.gz AORJZFQOILZPNX-UKTHLTGXSA-N 0 0 569.227 4.519 40 30 KJEBRN COC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000409326432 1067044477 /nfs/dbraw/zinc/04/44/77/1067044477.db2.gz KFGKAHAWWUGKMA-UHFFFAOYSA-N 0 0 543.374 4.549 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OC)c(Cl)c1 ZINC000409326513 1067044733 /nfs/dbraw/zinc/04/47/33/1067044733.db2.gz LJWBCSMCMSJIJL-CYBMUJFWSA-N 0 0 506.784 4.587 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)c(Cl)c1 ZINC000409326514 1067044793 /nfs/dbraw/zinc/04/47/93/1067044793.db2.gz LJWBCSMCMSJIJL-ZDUSSCGKSA-N 0 0 506.784 4.587 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1O[C@@H](C)C(=O)OCC ZINC000409326584 1066357104 /nfs/dbraw/zinc/35/71/04/1066357104.db2.gz MBFKZCUJMJGHKE-KRWDZBQOSA-N 0 0 543.462 4.780 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1O[C@H](C)C(=O)OCC ZINC000409326586 1066357576 /nfs/dbraw/zinc/35/75/76/1066357576.db2.gz MBFKZCUJMJGHKE-QGZVFWFLSA-N 0 0 543.462 4.780 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409326588 1067044348 /nfs/dbraw/zinc/04/43/48/1067044348.db2.gz MCDOXXORMBFUBV-UHFFFAOYSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(Cl)c1Br ZINC000409326721 1067044527 /nfs/dbraw/zinc/04/45/27/1067044527.db2.gz NFUFGKNRUYEKJO-UHFFFAOYSA-N 0 0 600.695 4.672 40 30 KJEBRN C#CCOc1c(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)cc1OC ZINC000409326849 1067044406 /nfs/dbraw/zinc/04/44/06/1067044406.db2.gz FIXDFMLDDLMOOM-MFOYZWKCSA-N 0 0 505.371 4.784 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)OC)c(OCC)c1 ZINC000409326960 1067043857 /nfs/dbraw/zinc/04/38/57/1067043857.db2.gz PBNDXELGAGHPEM-AWEZNQCLSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)OC)c(OCC)c1 ZINC000409326961 1067043983 /nfs/dbraw/zinc/04/39/83/1067043983.db2.gz PBNDXELGAGHPEM-CQSZACIVSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)OCC ZINC000409327015 1067043989 /nfs/dbraw/zinc/04/39/89/1067043989.db2.gz PYGADFYNGQDRSV-UHFFFAOYSA-N 0 0 536.810 4.598 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(Br)c1Br ZINC000409327137 1067044061 /nfs/dbraw/zinc/04/40/61/1067044061.db2.gz QEVONNPHSVPDCE-LLVKDONJSA-N 0 0 645.146 4.952 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(Br)c1Br ZINC000409327138 1067043819 /nfs/dbraw/zinc/04/38/19/1067043819.db2.gz QEVONNPHSVPDCE-NSHDSACASA-N 0 0 645.146 4.952 40 30 KJEBRN C=CCc1cc(C=Nn2c([C@@H](C)CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(N)=O ZINC000409327170 1067043911 /nfs/dbraw/zinc/04/39/11/1067043911.db2.gz QMXYOEFIODCYSB-INIZCTEOSA-N 0 0 541.446 4.546 40 30 KJEBRN C=CCc1cc(C=Nn2c([C@H](C)CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(N)=O ZINC000409327171 1067043955 /nfs/dbraw/zinc/04/39/55/1067043955.db2.gz QMXYOEFIODCYSB-MRXNPFEDSA-N 0 0 541.446 4.546 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC000409327206 1067044046 /nfs/dbraw/zinc/04/40/46/1067044046.db2.gz RHHVAEPUZGWHPO-DLBZAZTESA-N 0 0 543.462 4.951 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC000409327207 1067043943 /nfs/dbraw/zinc/04/39/43/1067043943.db2.gz RHHVAEPUZGWHPO-IAGOWNOFSA-N 0 0 543.462 4.951 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC000409327208 1066357461 /nfs/dbraw/zinc/35/74/61/1066357461.db2.gz RHHVAEPUZGWHPO-IRXDYDNUSA-N 0 0 543.462 4.951 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC000409327209 1067043842 /nfs/dbraw/zinc/04/38/42/1067043842.db2.gz RHHVAEPUZGWHPO-SJORKVTESA-N 0 0 543.462 4.951 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409327219 1066357530 /nfs/dbraw/zinc/35/75/30/1066357530.db2.gz RKUXNJDTLFEKBN-GFCCVEGCSA-N 0 0 596.232 4.605 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409327220 1067044094 /nfs/dbraw/zinc/04/40/94/1067044094.db2.gz RKUXNJDTLFEKBN-LBPRGKRZSA-N 0 0 596.232 4.605 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OCC ZINC000409327291 1067044019 /nfs/dbraw/zinc/04/40/19/1067044019.db2.gz IXBALGYZSYXADY-CPNJWEJPSA-N 0 0 549.468 4.967 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCC(N)=O ZINC000409327307 1067043925 /nfs/dbraw/zinc/04/39/25/1067043925.db2.gz RZMYEJOMLORSDA-UHFFFAOYSA-N 0 0 592.288 4.724 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)OCC ZINC000409327313 1067056139 /nfs/dbraw/zinc/05/61/39/1067056139.db2.gz SCQLYOAWZZPQGF-UHFFFAOYSA-N 0 0 550.837 4.988 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(=O)OC)cc2)c1C ZINC000409327354 1067055862 /nfs/dbraw/zinc/05/58/62/1067055862.db2.gz SNKAZUSETFBCBE-UHFFFAOYSA-N 0 0 551.441 4.953 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(OC)c1 ZINC000409327438 1067056002 /nfs/dbraw/zinc/05/60/02/1067056002.db2.gz TZHFNIKWSHEQKH-UHFFFAOYSA-N 0 0 530.419 4.723 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000409327445 1066357328 /nfs/dbraw/zinc/35/73/28/1066357328.db2.gz UCXULNUZCQXOSK-HNNXBMFYSA-N 0 0 557.401 4.937 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000409327446 1066357429 /nfs/dbraw/zinc/35/74/29/1066357429.db2.gz UCXULNUZCQXOSK-OAHLLOKOSA-N 0 0 557.401 4.937 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)OC ZINC000409327623 1066357543 /nfs/dbraw/zinc/35/75/43/1066357543.db2.gz VGQNBMUZZHSZGS-UHFFFAOYSA-N 0 0 551.235 4.698 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1OC ZINC000409327650 1067056107 /nfs/dbraw/zinc/05/61/07/1067056107.db2.gz VODDWNJNRSTKAT-HNNXBMFYSA-N 0 0 516.392 4.505 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1OC ZINC000409327651 1067055821 /nfs/dbraw/zinc/05/58/21/1067055821.db2.gz VODDWNJNRSTKAT-OAHLLOKOSA-N 0 0 516.392 4.505 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)cc1Br ZINC000409327713 1067055664 /nfs/dbraw/zinc/05/56/64/1067055664.db2.gz WPVURAKSJHQYFE-CYBMUJFWSA-N 0 0 581.261 4.878 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)cc1Br ZINC000409327714 1066357445 /nfs/dbraw/zinc/35/74/45/1066357445.db2.gz WPVURAKSJHQYFE-ZDUSSCGKSA-N 0 0 581.261 4.878 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409327864 1066357503 /nfs/dbraw/zinc/35/75/03/1066357503.db2.gz XIHOXOQHGIKKQD-UHFFFAOYSA-N 0 0 610.259 4.995 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409328010 1066357348 /nfs/dbraw/zinc/35/73/48/1066357348.db2.gz YCSVWGDYEVDXIJ-KRWDZBQOSA-N 0 0 650.368 4.954 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000409328011 1067055469 /nfs/dbraw/zinc/05/54/69/1067055469.db2.gz YCSVWGDYEVDXIJ-QGZVFWFLSA-N 0 0 650.368 4.954 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)OC)cc1Br ZINC000409328054 1066357553 /nfs/dbraw/zinc/35/75/53/1066357553.db2.gz YNAVGPQYUOMUQU-CYBMUJFWSA-N 0 0 581.261 4.705 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)OC)cc1Br ZINC000409328055 1066357368 /nfs/dbraw/zinc/35/73/68/1066357368.db2.gz YNAVGPQYUOMUQU-ZDUSSCGKSA-N 0 0 581.261 4.705 40 30 KJEBRN C#CCOc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000409328101 1067055483 /nfs/dbraw/zinc/05/54/83/1067055483.db2.gz ZCHLWWBIEAVKCO-HNNXBMFYSA-N 0 0 527.375 4.874 40 30 KJEBRN C#CCOc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC000409328102 1067055408 /nfs/dbraw/zinc/05/54/08/1067055408.db2.gz ZCHLWWBIEAVKCO-OAHLLOKOSA-N 0 0 527.375 4.874 40 30 KJEBRN C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OCC)c3)C2=O)c1 ZINC000409328518 1067055176 /nfs/dbraw/zinc/05/51/76/1067055176.db2.gz WXKJQGXVVRFFCU-UDWIEESQSA-N 0 0 500.960 4.757 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(OC)c1O ZINC000409328636 1067055294 /nfs/dbraw/zinc/05/52/94/1067055294.db2.gz ZEURVFLTMQJKTR-WQRHYEAKSA-N 0 0 503.374 4.567 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(Br)cc1OC ZINC000409329215 1067054800 /nfs/dbraw/zinc/05/48/00/1067054800.db2.gz CGAFLDWZLROTSK-VCHYOVAHSA-N 0 0 580.254 4.907 40 30 KJEBRN C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c1 ZINC000409329534 1066358075 /nfs/dbraw/zinc/35/80/75/1066358075.db2.gz FIFNQIBCPDAWNQ-LDADJPATSA-N 0 0 520.348 4.531 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)cc1OC ZINC000409330712 1066357777 /nfs/dbraw/zinc/35/77/77/1066357777.db2.gz LJJWOUUEQOJKIB-XDHOZWIPSA-N 0 0 503.443 4.942 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000409330955 1067054196 /nfs/dbraw/zinc/05/41/96/1067054196.db2.gz NQSUNUDVQBFJTL-PDGQHHTCSA-N 0 0 537.400 4.726 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OC(C)=O ZINC000409331090 1067054282 /nfs/dbraw/zinc/05/42/82/1067054282.db2.gz DRYCFTVATJEAIY-UHFFFAOYSA-N 0 0 552.179 4.590 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC000409331139 1067054354 /nfs/dbraw/zinc/05/43/54/1067054354.db2.gz FCRHPKABWMAPSY-UHFFFAOYSA-N 0 0 577.479 4.775 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409331288 1067054368 /nfs/dbraw/zinc/05/43/68/1067054368.db2.gz NTKGPQYJVPNVDZ-GZTJUZNOSA-N 0 0 584.844 4.511 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c(OC)c1 ZINC000409331599 1067053775 /nfs/dbraw/zinc/05/37/75/1067053775.db2.gz GPDQEWGYJQVLHV-UHFFFAOYSA-N 0 0 536.810 4.598 40 30 KJEBRN Clc1ccc(COc2ccccc2CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)c(Cl)c1 ZINC000409331910 1067054030 /nfs/dbraw/zinc/05/40/30/1067054030.db2.gz FBOQNSKSXKSQSD-LQKURTRISA-N 0 0 528.444 4.640 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)=O)c(I)c1 ZINC000409331964 1067053467 /nfs/dbraw/zinc/05/34/67/1067053467.db2.gz IVJPEAQRTBNLIB-UHFFFAOYSA-N 0 0 554.182 4.524 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccncc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409332005 1067053589 /nfs/dbraw/zinc/05/35/89/1067053589.db2.gz GEROPXLSYVDSPN-KIHONOKQSA-N 0 0 510.402 4.786 40 30 KJEBRN CC(=O)C1=C(C)N=c2sc(=Cc3ccncc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409332009 1067053402 /nfs/dbraw/zinc/05/34/02/1067053402.db2.gz GEROPXLSYVDSPN-YLVTVWEBSA-N 0 0 510.402 4.786 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OC)c(Br)c1 ZINC000409332048 1066357759 /nfs/dbraw/zinc/35/77/59/1066357759.db2.gz FTXKTNIJOVKMAZ-CYBMUJFWSA-N 0 0 551.235 4.697 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)c(Br)c1 ZINC000409332051 1067053353 /nfs/dbraw/zinc/05/33/53/1067053353.db2.gz FTXKTNIJOVKMAZ-ZDUSSCGKSA-N 0 0 551.235 4.697 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O)c(OC)c1 ZINC000409332065 1067053549 /nfs/dbraw/zinc/05/35/49/1067053549.db2.gz FVTVEIFUOQQQSH-UHFFFAOYSA-N 0 0 509.198 4.861 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(NC(=O)c2ccccc2)c1C ZINC000409332145 1067053321 /nfs/dbraw/zinc/05/33/21/1067053321.db2.gz GELZTVPSUOUPBY-UHFFFAOYSA-N 0 0 506.404 4.796 40 30 KJEBRN C=CCOc1c(OC)cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409332188 1067053572 /nfs/dbraw/zinc/05/35/72/1067053572.db2.gz KNMYHVGKMNGBIC-UHFFFAOYSA-N 0 0 500.393 4.966 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OC ZINC000409332411 1067053306 /nfs/dbraw/zinc/05/33/06/1067053306.db2.gz QMTOEZJESYUMBV-XDHOZWIPSA-N 0 0 550.374 4.540 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000409332527 1067053221 /nfs/dbraw/zinc/05/32/21/1067053221.db2.gz PZEFUPBZOWOWMW-LDADJPATSA-N 0 0 520.348 4.531 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000409332579 1067052914 /nfs/dbraw/zinc/05/29/14/1067052914.db2.gz HISJUXPYICVUFM-CYBMUJFWSA-N 0 0 551.235 4.869 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000409332581 1066357966 /nfs/dbraw/zinc/35/79/66/1066357966.db2.gz HISJUXPYICVUFM-ZDUSSCGKSA-N 0 0 551.235 4.869 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC000409332628 1067053002 /nfs/dbraw/zinc/05/30/02/1067053002.db2.gz HMXQSTHTYWAFFW-UHFFFAOYSA-N 0 0 553.329 4.997 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC#N)c(OC)c1 ZINC000409332852 1066357927 /nfs/dbraw/zinc/35/79/27/1066357927.db2.gz NEFDLJBQXSRWOC-UHFFFAOYSA-N 0 0 595.235 4.899 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)c(I)c1 ZINC000409333184 1067053101 /nfs/dbraw/zinc/05/31/01/1067053101.db2.gz NPXPGLWUQGSTTR-AWEZNQCLSA-N 0 0 612.262 4.929 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OC)c(I)c1 ZINC000409333187 1067053047 /nfs/dbraw/zinc/05/30/47/1067053047.db2.gz NPXPGLWUQGSTTR-CQSZACIVSA-N 0 0 612.262 4.929 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC)c(I)c1 ZINC000409333262 1067052633 /nfs/dbraw/zinc/05/26/33/1067052633.db2.gz NYGBZLUHWZENML-UHFFFAOYSA-N 0 0 710.104 4.755 40 30 KJEBRN C#CCOc1ccc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409333326 1067052748 /nfs/dbraw/zinc/05/27/48/1067052748.db2.gz JLQLQQQBELVLCB-UHFFFAOYSA-N 0 0 503.194 4.768 40 30 KJEBRN NC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000409333465 1067052737 /nfs/dbraw/zinc/05/27/37/1067052737.db2.gz PNTKAARIRDPFDM-UHFFFAOYSA-N 0 0 607.259 4.624 40 30 KJEBRN CCOc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC000409333866 1067052351 /nfs/dbraw/zinc/05/23/51/1067052351.db2.gz KAQCRSRZXCIQML-CYBMUJFWSA-N 0 0 503.353 4.870 40 30 KJEBRN CCOc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000409333868 1067052467 /nfs/dbraw/zinc/05/24/67/1067052467.db2.gz KAQCRSRZXCIQML-ZDUSSCGKSA-N 0 0 503.353 4.870 40 30 KJEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409333944 1066358414 /nfs/dbraw/zinc/35/84/14/1066358414.db2.gz GFSMSBUWYLGPPS-DHRITJCHSA-N 0 0 548.415 4.874 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC#N)c(OC)c1 ZINC000409333978 1067052322 /nfs/dbraw/zinc/05/23/22/1067052322.db2.gz QAHVJSJOUYUPRI-UHFFFAOYSA-N 0 0 503.784 4.948 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)ccc1OCc1ccccc1 ZINC000409333985 1067052339 /nfs/dbraw/zinc/05/23/39/1067052339.db2.gz GNSAYVKMMHBAHS-IVQFASICSA-N 0 0 594.689 4.835 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)ccc1OCc1ccccc1 ZINC000409333989 1067052188 /nfs/dbraw/zinc/05/21/88/1067052188.db2.gz GNSAYVKMMHBAHS-SELCLYCASA-N 0 0 594.689 4.835 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OC(C)=O)c(OCC)c1 ZINC000409334038 1067052220 /nfs/dbraw/zinc/05/22/20/1067052220.db2.gz QTXDWBUAJWZUMM-UHFFFAOYSA-N 0 0 506.784 4.971 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(OC)c1OC ZINC000409334261 1066358444 /nfs/dbraw/zinc/35/84/44/1066358444.db2.gz WKIQEXLVRUSLGD-UNOMPAQXSA-N 0 0 564.401 4.712 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000409334399 1066358273 /nfs/dbraw/zinc/35/82/73/1066358273.db2.gz LGZNLUDFHCHEKZ-UHFFFAOYSA-N 0 0 594.422 4.928 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1OC ZINC000409334450 1067052051 /nfs/dbraw/zinc/05/20/51/1067052051.db2.gz XYOJUMGSBXEVHK-XDHOZWIPSA-N 0 0 503.374 4.698 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OCC)c(OCC)c1 ZINC000409334473 1066358525 /nfs/dbraw/zinc/35/85/25/1066358525.db2.gz LZHJTXXUUUQYRO-UHFFFAOYSA-N 0 0 642.288 4.939 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000409334635 1067051786 /nfs/dbraw/zinc/05/17/86/1067051786.db2.gz HVHGOOMPSIMTLN-FJSZTYFPSA-N 0 0 584.694 4.793 40 30 KJEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000409334641 1067051933 /nfs/dbraw/zinc/05/19/33/1067051933.db2.gz HVHGOOMPSIMTLN-KEBLUXQBSA-N 0 0 584.694 4.793 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409334720 1067051343 /nfs/dbraw/zinc/05/13/43/1067051343.db2.gz MSQPVEDASVLOTA-HNNXBMFYSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409334722 1066359336 /nfs/dbraw/zinc/35/93/36/1066359336.db2.gz MSQPVEDASVLOTA-OAHLLOKOSA-N 0 0 575.416 4.631 40 30 KJEBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3sc4c(c3C#N)CCC4)C(=O)[C@@H]21 ZINC000409334727 1067051989 /nfs/dbraw/zinc/05/19/89/1067051989.db2.gz MCOSAYFJBLBFIU-BBXSYUKCSA-N 0 0 506.583 4.939 40 30 KJEBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3sc4c(c3C#N)CCC4)C(=O)[C@@H]21 ZINC000409334737 1067052083 /nfs/dbraw/zinc/05/20/83/1067052083.db2.gz MCOSAYFJBLBFIU-IWRQBJDLSA-N 0 0 506.583 4.939 40 30 KJEBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3sc4c(c3C#N)CCC4)C(=O)[C@H]21 ZINC000409334745 1067051834 /nfs/dbraw/zinc/05/18/34/1067051834.db2.gz MCOSAYFJBLBFIU-NRVHTZAHSA-N 0 0 506.583 4.939 40 30 KJEBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3sc4c(c3C#N)CCC4)C(=O)[C@H]21 ZINC000409334755 1067051900 /nfs/dbraw/zinc/05/19/00/1067051900.db2.gz MCOSAYFJBLBFIU-UJTWYAIMSA-N 0 0 506.583 4.939 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)OC(C)C ZINC000409334884 1067051384 /nfs/dbraw/zinc/05/13/84/1067051384.db2.gz NLKXMEGIVMJUMG-UHFFFAOYSA-N 0 0 545.390 4.622 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(N)=O)cc2)c1C ZINC000409334887 1067051428 /nfs/dbraw/zinc/05/14/28/1067051428.db2.gz NMMVBNZCNHKFSP-INIZCTEOSA-N 0 0 550.457 4.826 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(N)=O)cc2)c1C ZINC000409334892 1067051509 /nfs/dbraw/zinc/05/15/09/1067051509.db2.gz NMMVBNZCNHKFSP-MRXNPFEDSA-N 0 0 550.457 4.826 40 30 KJEBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4sc5c(c4C#N)CCC5)C(=O)[C@H]32)cc1 ZINC000409335062 1067051494 /nfs/dbraw/zinc/05/14/94/1067051494.db2.gz NTCMHYLKIQXTGR-GIIILEAUSA-N 0 0 536.609 4.947 40 30 KJEBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4sc5c(c4C#N)CCC5)C(=O)[C@@H]32)cc1 ZINC000409335068 1067051477 /nfs/dbraw/zinc/05/14/77/1067051477.db2.gz NTCMHYLKIQXTGR-JYIOINSGSA-N 0 0 536.609 4.947 40 30 KJEBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4sc5c(c4C#N)CCC5)C(=O)[C@@H]32)cc1 ZINC000409335075 1067051631 /nfs/dbraw/zinc/05/16/31/1067051631.db2.gz NTCMHYLKIQXTGR-ULBKPHCJSA-N 0 0 536.609 4.947 40 30 KJEBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4sc5c(c4C#N)CCC5)C(=O)[C@H]32)cc1 ZINC000409335084 1067051443 /nfs/dbraw/zinc/05/14/43/1067051443.db2.gz NTCMHYLKIQXTGR-YQMHAVPBSA-N 0 0 536.609 4.947 40 30 KJEBRN O=C1CSC(=S)N1/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000409335107 1067051262 /nfs/dbraw/zinc/05/12/62/1067051262.db2.gz YVHSIXIGQJALFW-ZBKNUEDVSA-N 0 0 594.237 4.669 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000409335130 1067051559 /nfs/dbraw/zinc/05/15/59/1067051559.db2.gz YXEQVKPBXILBDO-BOPFTXTBSA-N 0 0 525.364 4.857 40 30 KJEBRN C#CCOc1c(I)cc(I)cc1C=NNc1nc(Nc2ccc(C)cc2Br)nc(N2CCOCC2)n1 ZINC000409335219 1067051112 /nfs/dbraw/zinc/05/11/12/1067051112.db2.gz PHIWCWNFNDBHHP-CCVNUDIWSA-N 0 0 774.199 4.612 40 30 KJEBRN Cc1ccc(Nc2nc(NN=Cc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)c(Br)c1 ZINC000409335378 1066359201 /nfs/dbraw/zinc/35/92/01/1066359201.db2.gz WJYPLEUKZBXARD-BRJLIKDPSA-N 0 0 537.249 4.697 40 30 KJEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1Cl ZINC000409335434 1067051151 /nfs/dbraw/zinc/05/11/51/1067051151.db2.gz WXRMNUXNSWLWEI-UHFFFAOYSA-N 0 0 517.811 4.606 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCC(N)=O ZINC000409335520 1067051098 /nfs/dbraw/zinc/05/10/98/1067051098.db2.gz OSDAURNPIAKOIG-CYBMUJFWSA-N 0 0 580.277 4.580 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCC(N)=O ZINC000409335522 1067050845 /nfs/dbraw/zinc/05/08/45/1067050845.db2.gz OSDAURNPIAKOIG-ZDUSSCGKSA-N 0 0 580.277 4.580 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC000409335797 1067050974 /nfs/dbraw/zinc/05/09/74/1067050974.db2.gz YIFJMHIIJCWZCP-UHFFFAOYSA-N 0 0 596.232 4.606 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)c(OCC)c1 ZINC000409335913 1067050426 /nfs/dbraw/zinc/05/04/26/1067050426.db2.gz QHAQODSUFVGITE-INIZCTEOSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OC)c(OCC)c1 ZINC000409335915 1067050599 /nfs/dbraw/zinc/05/05/99/1067050599.db2.gz QHAQODSUFVGITE-MRXNPFEDSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)cc1Br ZINC000409335975 1067050630 /nfs/dbraw/zinc/05/06/30/1067050630.db2.gz ZKMMULVUQODVPN-UHFFFAOYSA-N 0 0 581.261 4.707 40 30 KJEBRN COc1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)ccc1O ZINC000409336051 1067050510 /nfs/dbraw/zinc/05/05/10/1067050510.db2.gz RFAPTWUPWWFHLP-ITIZVALFSA-N 0 0 565.445 4.561 40 30 KJEBRN COc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(-c4ccc(Br)cc4)o2)C(C(C)=O)=C(C)N=3)ccc1O ZINC000409336052 1067050442 /nfs/dbraw/zinc/05/04/42/1067050442.db2.gz RFAPTWUPWWFHLP-YXDQGSNCSA-N 0 0 565.445 4.561 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OC(C)=O)c(OCC)c1 ZINC000409336221 1067050411 /nfs/dbraw/zinc/05/04/11/1067050411.db2.gz RAYNARQIPIGUIU-UHFFFAOYSA-N 0 0 598.235 4.922 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000409336288 1067050654 /nfs/dbraw/zinc/05/06/54/1067050654.db2.gz NJOWAQRBJCUEQT-AHQATDLNSA-N 0 0 706.558 4.569 40 30 KJEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000409336291 1066359230 /nfs/dbraw/zinc/35/92/30/1066359230.db2.gz NJOWAQRBJCUEQT-AYTQJLEDSA-N 0 0 706.558 4.569 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC(C)C)c(OC)c1 ZINC000409336374 1067050488 /nfs/dbraw/zinc/05/04/88/1067050488.db2.gz RVVUMNRAQNKLDK-UHFFFAOYSA-N 0 0 560.445 4.731 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC000409336416 1067050526 /nfs/dbraw/zinc/05/05/26/1067050526.db2.gz SGPJVTWQUQCRSD-UHFFFAOYSA-N 0 0 697.368 4.625 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c(Cl)c1Br ZINC000409336488 1067050027 /nfs/dbraw/zinc/05/00/27/1067050027.db2.gz SXOKBEMZSUXUHL-UHFFFAOYSA-N 0 0 656.759 4.656 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409337049 1067056086 /nfs/dbraw/zinc/05/60/86/1067056086.db2.gz WCSQGMOQSJCPJB-UHFFFAOYSA-N 0 0 575.416 4.631 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(Cl)c1Br ZINC000409337053 1067055954 /nfs/dbraw/zinc/05/59/54/1067055954.db2.gz WGWRVTUPEOTYOX-LLVKDONJSA-N 0 0 600.695 4.843 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(Cl)c1Br ZINC000409337054 1067055884 /nfs/dbraw/zinc/05/58/84/1067055884.db2.gz WGWRVTUPEOTYOX-NSHDSACASA-N 0 0 600.695 4.843 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409337350 1067064648 /nfs/dbraw/zinc/06/46/48/1067064648.db2.gz XZCZVRDRQUJEHO-CYBMUJFWSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC000409337352 1067064626 /nfs/dbraw/zinc/06/46/26/1067064626.db2.gz XZCZVRDRQUJEHO-ZDUSSCGKSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OCC)c(OCC)c1 ZINC000409337399 1067064525 /nfs/dbraw/zinc/06/45/25/1067064525.db2.gz YELRYSBZNUHOSJ-INIZCTEOSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OCC)c(OCC)c1 ZINC000409337402 1067064584 /nfs/dbraw/zinc/06/45/84/1067064584.db2.gz YELRYSBZNUHOSJ-MRXNPFEDSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)OC ZINC000409337409 1067064804 /nfs/dbraw/zinc/06/48/04/1067064804.db2.gz YGAHTCFDCXYHGI-UHFFFAOYSA-N 0 0 571.653 4.961 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)OC)c(Cl)c1 ZINC000409337511 1067064131 /nfs/dbraw/zinc/06/41/31/1067064131.db2.gz YIDKREBIKBPXJX-UHFFFAOYSA-N 0 0 527.202 4.852 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC000409337548 1067064695 /nfs/dbraw/zinc/06/46/95/1067064695.db2.gz YWQHBKZRSQJBCN-UHFFFAOYSA-N 0 0 642.288 4.939 40 30 KJEBRN O=C(Cn1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc21)N1CCOCC1 ZINC000409337576 1067064575 /nfs/dbraw/zinc/06/45/75/1067064575.db2.gz ZFFKYCMXLLUFEV-UHFFFAOYSA-N 0 0 576.495 4.902 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OC(C)=O)c(OC)c1 ZINC000409337582 1067064602 /nfs/dbraw/zinc/06/46/02/1067064602.db2.gz ZIXRBMADFDJHNR-UHFFFAOYSA-N 0 0 598.235 4.922 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000409337892 1067064292 /nfs/dbraw/zinc/06/42/92/1067064292.db2.gz YWEUXWBHPKNNBB-LBLGWMPZSA-N 0 0 612.704 4.526 40 30 KJEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000409337893 1067064079 /nfs/dbraw/zinc/06/40/79/1067064079.db2.gz YWEUXWBHPKNNBB-ZUXOAJPSSA-N 0 0 612.704 4.526 40 30 KJEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OCC ZINC000409338180 1067063797 /nfs/dbraw/zinc/06/37/97/1067063797.db2.gz FKBREFPNMBIPKF-DEDYPNTBSA-N 0 0 564.401 4.930 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)cc1OC ZINC000409338684 1067063316 /nfs/dbraw/zinc/06/33/16/1067063316.db2.gz OJJITNUTWYINOP-QGMBQPNBSA-N 0 0 504.383 4.604 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409338742 1067063268 /nfs/dbraw/zinc/06/32/68/1067063268.db2.gz AAXSMZOFKVKTKC-YVLHZVERSA-N 0 0 552.371 4.626 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409339391 1066359780 /nfs/dbraw/zinc/35/97/80/1066359780.db2.gz UUXDQJFHQOZZJT-BOPFTXTBSA-N 0 0 552.371 4.626 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000409339410 1066359814 /nfs/dbraw/zinc/35/98/14/1066359814.db2.gz VDCORGUDZHVXJB-PDGQHHTCSA-N 0 0 521.401 4.713 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000409339741 1067062619 /nfs/dbraw/zinc/06/26/19/1067062619.db2.gz XNUVYQLIZXSZOB-ATVHPVEESA-N 0 0 513.422 4.846 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1OC ZINC000409339877 1067062847 /nfs/dbraw/zinc/06/28/47/1067062847.db2.gz MHISYJSLCHLABV-WQRHYEAKSA-N 0 0 580.254 4.907 40 30 KJEBRN COc1cc(C=NN2C(=O)CSC2=S)cc(I)c1OCc1ccccc1Cl ZINC000409340599 1067062536 /nfs/dbraw/zinc/06/25/36/1067062536.db2.gz ZZGFYFSDEZZPLY-WNFQYIGGSA-N 0 0 532.812 4.726 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1 ZINC000409340752 1067062511 /nfs/dbraw/zinc/06/25/11/1067062511.db2.gz ARLXIPZWECMRCD-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409340799 1067062380 /nfs/dbraw/zinc/06/23/80/1067062380.db2.gz BBCCDMFCSLMSEH-UHFFFAOYSA-N 0 0 503.422 4.853 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409340833 1067062048 /nfs/dbraw/zinc/06/20/48/1067062048.db2.gz BFSREKDRXWDZEV-DEOSSOPVSA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409340835 1067061844 /nfs/dbraw/zinc/06/18/44/1067061844.db2.gz BFSREKDRXWDZEV-XMMPIXPASA-N 0 0 507.660 4.947 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCc1ccccc1 ZINC000409340936 1067062269 /nfs/dbraw/zinc/06/22/69/1067062269.db2.gz CLRGLQANIZRVPA-UHFFFAOYSA-N 0 0 541.345 4.567 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409340979 1066358793 /nfs/dbraw/zinc/35/87/93/1066358793.db2.gz CVIFGBFSKTVQBV-HSZRJFAPSA-N 0 0 522.631 4.847 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000409340982 1067062063 /nfs/dbraw/zinc/06/20/63/1067062063.db2.gz BSDPSFLDVKCARI-UHFFFAOYSA-N 0 0 548.452 4.608 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409340983 1067061942 /nfs/dbraw/zinc/06/19/42/1067061942.db2.gz CVIFGBFSKTVQBV-QHCPKHFHSA-N 0 0 522.631 4.847 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409341121 1067061624 /nfs/dbraw/zinc/06/16/24/1067061624.db2.gz CTQKVITVVSRWQQ-UHFFFAOYSA-N 0 0 550.866 4.549 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409341156 1067061919 /nfs/dbraw/zinc/06/19/19/1067061919.db2.gz CYJFVUOSNRABCW-JOCHJYFZSA-N 0 0 542.061 4.762 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409341157 1067062137 /nfs/dbraw/zinc/06/21/37/1067062137.db2.gz CYJFVUOSNRABCW-QFIPXVFZSA-N 0 0 542.061 4.762 40 30 KJEBRN Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000409341188 1067062013 /nfs/dbraw/zinc/06/20/13/1067062013.db2.gz DITSWHITMNDMHM-UHFFFAOYSA-N 0 0 525.540 4.548 40 30 KJEBRN O=C1CSC(=S)N1/N=C\c1cc(I)cc(I)c1OCc1ccccc1 ZINC000409341420 1066358710 /nfs/dbraw/zinc/35/87/10/1066358710.db2.gz BOMMLRXTMLTFNT-ZBKNUEDVSA-N 0 0 594.237 4.669 40 30 KJEBRN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000409341487 1067061403 /nfs/dbraw/zinc/06/14/03/1067061403.db2.gz DETKWPZZECYCHQ-UHFFFAOYSA-N 0 0 525.375 4.823 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409341490 1066359022 /nfs/dbraw/zinc/35/90/22/1066359022.db2.gz DFHNIAABZDEXHZ-UHFFFAOYSA-N 0 0 514.763 4.988 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCC(C)(C)C ZINC000409341514 1067061390 /nfs/dbraw/zinc/06/13/90/1067061390.db2.gz DHUNCHFXKHNCPL-UHFFFAOYSA-N 0 0 539.224 4.943 40 30 KJEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000409341574 1067061471 /nfs/dbraw/zinc/06/14/71/1067061471.db2.gz FJIJHMOQNSCETA-UHFFFAOYSA-N 0 0 549.697 4.678 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1 ZINC000409341686 1067061665 /nfs/dbraw/zinc/06/16/65/1067061665.db2.gz DZZVBWQOBZMQAC-UHFFFAOYSA-N 0 0 641.178 4.912 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1CC ZINC000409341721 1066358983 /nfs/dbraw/zinc/35/89/83/1066358983.db2.gz FQDNPGJZZKJVFN-UHFFFAOYSA-N 0 0 504.443 4.994 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409342122 1067060876 /nfs/dbraw/zinc/06/08/76/1067060876.db2.gz BQOKGGNXILEHRU-LICLKQGHSA-N 0 0 505.371 4.784 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409342234 1067060992 /nfs/dbraw/zinc/06/09/92/1067060992.db2.gz APYUTECQFFOQDA-UHFFFAOYSA-N 0 0 509.941 4.797 40 30 KJEBRN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000409342237 1067061109 /nfs/dbraw/zinc/06/11/09/1067061109.db2.gz AQBOZNJUINZRRX-UHFFFAOYSA-N 0 0 507.385 4.684 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(OC)c1OC ZINC000409342422 1067060606 /nfs/dbraw/zinc/06/06/06/1067060606.db2.gz DVCSPAUBTYXIDE-UNOMPAQXSA-N 0 0 517.401 4.870 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1-c1ccc(Br)cc1 ZINC000409342495 1067060558 /nfs/dbraw/zinc/06/05/58/1067060558.db2.gz GNORGAUTDVTRQG-UHFFFAOYSA-N 0 0 501.406 4.801 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409342555 1066359004 /nfs/dbraw/zinc/35/90/04/1066359004.db2.gz GXDXWCZAECUTIU-UHFFFAOYSA-N 0 0 606.214 4.939 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000409342559 1067060443 /nfs/dbraw/zinc/06/04/43/1067060443.db2.gz GPOWVXARSWGVSN-JOCHJYFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409342563 1067060660 /nfs/dbraw/zinc/06/06/60/1067060660.db2.gz GYEYWIBRVIEREU-INIZCTEOSA-N 0 0 500.024 4.738 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000409342568 1067060532 /nfs/dbraw/zinc/06/05/32/1067060532.db2.gz GPOWVXARSWGVSN-QFIPXVFZSA-N 0 0 514.051 4.984 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409342595 1067060075 /nfs/dbraw/zinc/06/00/75/1067060075.db2.gz GYEYWIBRVIEREU-MRXNPFEDSA-N 0 0 500.024 4.738 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409342688 1067060024 /nfs/dbraw/zinc/06/00/24/1067060024.db2.gz HDQVKRNUHMCPFA-INIZCTEOSA-N 0 0 500.024 4.738 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409342692 1067060090 /nfs/dbraw/zinc/06/00/90/1067060090.db2.gz HDQVKRNUHMCPFA-MRXNPFEDSA-N 0 0 500.024 4.738 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000409342694 1067060252 /nfs/dbraw/zinc/06/02/52/1067060252.db2.gz HAPYMBKUZBZXGC-NRFANRHFSA-N 0 0 575.476 4.927 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000409342700 1067060263 /nfs/dbraw/zinc/06/02/63/1067060263.db2.gz HAPYMBKUZBZXGC-OAQYLSRUSA-N 0 0 575.476 4.927 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409342758 1067060178 /nfs/dbraw/zinc/06/01/78/1067060178.db2.gz HHDVEPOLJQJOGH-UHFFFAOYSA-N 0 0 574.185 4.997 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409342814 1067060046 /nfs/dbraw/zinc/06/00/46/1067060046.db2.gz CEKGOKWIBOGVNG-UHFFFAOYSA-N 0 0 512.335 4.864 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1 ZINC000409342943 1067060164 /nfs/dbraw/zinc/06/01/64/1067060164.db2.gz HBRGGPGTSWKJSW-UHFFFAOYSA-N 0 0 602.239 4.535 40 30 KJEBRN Cc1cccc(COc2c(Br)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc2[N+](=O)[O-])c1 ZINC000409342968 1067060238 /nfs/dbraw/zinc/06/02/38/1067060238.db2.gz HCMSFZWUYPDHKT-UHFFFAOYSA-N 0 0 509.316 4.542 40 30 KJEBRN Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000409342970 1067060035 /nfs/dbraw/zinc/06/00/35/1067060035.db2.gz CKXXUYUCJQKASH-UHFFFAOYSA-N 0 0 525.540 4.548 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000409343065 1066358955 /nfs/dbraw/zinc/35/89/55/1066358955.db2.gz HLBUWXBAGAIWMZ-UHFFFAOYSA-N 0 0 668.185 4.681 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000409343529 1067059878 /nfs/dbraw/zinc/05/98/78/1067059878.db2.gz HPDJELYOMFULOB-YVLHZVERSA-N 0 0 525.364 4.857 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409343611 1066358696 /nfs/dbraw/zinc/35/86/96/1066358696.db2.gz FCEMQMYVTLFIFZ-BOPFTXTBSA-N 0 0 537.844 4.669 40 30 KJEBRN COc1cc(C=NN2C(=O)CSC2=S)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409343652 1067059244 /nfs/dbraw/zinc/05/92/44/1067059244.db2.gz FMWFBVGFVJERDG-WNFQYIGGSA-N 0 0 530.263 4.993 40 30 KJEBRN C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000409343662 1067059492 /nfs/dbraw/zinc/05/94/92/1067059492.db2.gz ILQJXVHZWOLWEH-UHFFFAOYSA-N 0 0 542.683 4.900 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409343690 1067059277 /nfs/dbraw/zinc/05/92/77/1067059277.db2.gz HVCHXCGZFJGTFB-HNNXBMFYSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409343693 1067059365 /nfs/dbraw/zinc/05/93/65/1067059365.db2.gz HVCHXCGZFJGTFB-OAHLLOKOSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409343894 1067058924 /nfs/dbraw/zinc/05/89/24/1067058924.db2.gz IFMCCIVGJXNAPW-HSZRJFAPSA-N 0 0 522.631 4.847 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409343898 1067059080 /nfs/dbraw/zinc/05/90/80/1067059080.db2.gz IFMCCIVGJXNAPW-QHCPKHFHSA-N 0 0 522.631 4.847 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000409343910 1066358778 /nfs/dbraw/zinc/35/87/78/1066358778.db2.gz FXABQFCYOGDYTF-UHFFFAOYSA-N 0 0 581.867 4.691 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409344003 1067059508 /nfs/dbraw/zinc/05/95/08/1067059508.db2.gz IZQRCZGSELHIGC-IBGZPJMESA-N 0 0 521.643 4.561 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409344012 1067059260 /nfs/dbraw/zinc/05/92/60/1067059260.db2.gz IZQRCZGSELHIGC-LJQANCHMSA-N 0 0 521.643 4.561 40 30 KJEBRN Cn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409344100 1067058854 /nfs/dbraw/zinc/05/88/54/1067058854.db2.gz JFWWZRSIKURQIR-UHFFFAOYSA-N 0 0 535.482 4.595 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(Br)cc1OC ZINC000409344393 1067058686 /nfs/dbraw/zinc/05/86/86/1067058686.db2.gz JBEPMMOAZBPTBB-VCHYOVAHSA-N 0 0 627.254 4.749 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409344467 1067058531 /nfs/dbraw/zinc/05/85/31/1067058531.db2.gz JIBWBJLDAIURGK-GZTJUZNOSA-N 0 0 505.371 4.784 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c1OCc1ccccc1Cl ZINC000409344469 1067058577 /nfs/dbraw/zinc/05/85/77/1067058577.db2.gz GYZOFEIMNFSQKG-UHFFFAOYSA-N 0 0 514.763 4.988 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409344902 1067058516 /nfs/dbraw/zinc/05/85/16/1067058516.db2.gz LLCJBLZMPVKZHS-UHFFFAOYSA-N 0 0 559.335 4.706 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409344921 1067058119 /nfs/dbraw/zinc/05/81/19/1067058119.db2.gz JOJUQRLTVRGBCM-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 ZINC000409344974 1066359439 /nfs/dbraw/zinc/35/94/39/1066359439.db2.gz JUOPFINVEJDRIH-UHFFFAOYSA-N 0 0 515.309 4.787 40 30 KJEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000409344988 1067058251 /nfs/dbraw/zinc/05/82/51/1067058251.db2.gz KPCMSEFBIGWNBV-UHFFFAOYSA-N 0 0 504.397 4.699 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409345035 1067058151 /nfs/dbraw/zinc/05/81/51/1067058151.db2.gz LCXIZHPFAINVHQ-AWEZNQCLSA-N 0 0 529.091 4.985 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409345038 1067058200 /nfs/dbraw/zinc/05/82/00/1067058200.db2.gz LCXIZHPFAINVHQ-CQSZACIVSA-N 0 0 529.091 4.985 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br ZINC000409345185 1067058229 /nfs/dbraw/zinc/05/82/29/1067058229.db2.gz KTPXSFSQXQAQHT-UHFFFAOYSA-N 0 0 574.185 4.997 40 30 KJEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O ZINC000409345237 1067058236 /nfs/dbraw/zinc/05/82/36/1067058236.db2.gz KJWNHDFSYGQJDC-LDADJPATSA-N 0 0 505.415 4.569 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409345406 1067057916 /nfs/dbraw/zinc/05/79/16/1067057916.db2.gz IICZTCPVUHXPSW-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409345462 1067057887 /nfs/dbraw/zinc/05/78/87/1067057887.db2.gz IXFFNTQCCGPBRV-UHFFFAOYSA-N 0 0 560.748 4.894 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409345484 1067057624 /nfs/dbraw/zinc/05/76/24/1067057624.db2.gz JCYOIQMRLLSXGF-IBGZPJMESA-N 0 0 521.643 4.560 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409345486 1067057876 /nfs/dbraw/zinc/05/78/76/1067057876.db2.gz JCYOIQMRLLSXGF-LJQANCHMSA-N 0 0 521.643 4.560 40 30 KJEBRN C#CCOc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)cc1OC ZINC000409345571 1067057844 /nfs/dbraw/zinc/05/78/44/1067057844.db2.gz JIURVSBBHZDLMR-LICLKQGHSA-N 0 0 537.844 4.669 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409345591 1067057828 /nfs/dbraw/zinc/05/78/28/1067057828.db2.gz JPZLCBOFNWJMEZ-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN O=C(COc1c(I)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1I)Nc1ccc(Cl)cc1 ZINC000409345593 1067057723 /nfs/dbraw/zinc/05/77/23/1067057723.db2.gz MGJXXPOYJNPCMG-UHFFFAOYSA-N 0 0 700.658 4.864 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409345694 1067057666 /nfs/dbraw/zinc/05/76/66/1067057666.db2.gz NAMZWPNWQJNESO-UHFFFAOYSA-N 0 0 500.338 4.887 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409345704 1067057709 /nfs/dbraw/zinc/05/77/09/1067057709.db2.gz NBJSQHANDQUEBA-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCc1ccccc1Cl ZINC000409345788 1067057860 /nfs/dbraw/zinc/05/78/60/1067057860.db2.gz NVGDGKFYKZASKA-UHFFFAOYSA-N 0 0 561.763 4.830 40 30 KJEBRN C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000409345847 1067057216 /nfs/dbraw/zinc/05/72/16/1067057216.db2.gz LQKQLPUZVNYMNF-UHFFFAOYSA-N 0 0 503.422 4.853 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC ZINC000409345914 1067057300 /nfs/dbraw/zinc/05/73/00/1067057300.db2.gz MCQRDLDZHJLXRK-UYRXBGFRSA-N 0 0 503.443 4.942 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409346307 1066359736 /nfs/dbraw/zinc/35/97/36/1066359736.db2.gz JWBLMIVELRVAPK-UHFFFAOYSA-N 0 0 589.805 4.956 40 30 KJEBRN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409346309 1067057414 /nfs/dbraw/zinc/05/74/14/1067057414.db2.gz JWRAGXXBIUSCPG-HNNXBMFYSA-N 0 0 540.690 4.699 40 30 KJEBRN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409346310 1067057376 /nfs/dbraw/zinc/05/73/76/1067057376.db2.gz JWRAGXXBIUSCPG-OAHLLOKOSA-N 0 0 540.690 4.699 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000409346409 1067056929 /nfs/dbraw/zinc/05/69/29/1067056929.db2.gz LOYUAXQKKAXDFH-UHFFFAOYSA-N 0 0 505.825 4.785 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1c(C)cc(I)cc1C ZINC000409346459 1067056706 /nfs/dbraw/zinc/05/67/06/1067056706.db2.gz OFVAYFBVVUQTIX-UHFFFAOYSA-N 0 0 595.894 5.000 40 30 KJEBRN C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000409346637 1066359656 /nfs/dbraw/zinc/35/96/56/1066359656.db2.gz KWMYHJDSITVOCG-UHFFFAOYSA-N 0 0 507.385 4.684 40 30 KJEBRN CCOc1cc(C=NN2C(=O)CSC2=S)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346688 1067056845 /nfs/dbraw/zinc/05/68/45/1067056845.db2.gz LAJVTGFFQRWGAJ-NKVSQWTQSA-N 0 0 510.391 4.529 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409347077 1067056480 /nfs/dbraw/zinc/05/64/80/1067056480.db2.gz NVSMJEFGQROWPS-UHFFFAOYSA-N 0 0 528.476 4.813 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OC(C)C ZINC000409347087 1066359844 /nfs/dbraw/zinc/35/98/44/1066359844.db2.gz OCSLKASOIJBMGK-UHFFFAOYSA-N 0 0 525.197 4.695 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409347132 1067056505 /nfs/dbraw/zinc/05/65/05/1067056505.db2.gz MIAHTVRQZKZFRQ-UHFFFAOYSA-N 0 0 503.968 4.653 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000409347138 1067056514 /nfs/dbraw/zinc/05/65/14/1067056514.db2.gz MJMIKJCAUXGFDO-UHFFFAOYSA-N 0 0 510.616 4.658 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409347267 1067056527 /nfs/dbraw/zinc/05/65/27/1067056527.db2.gz NMVZUSFMLIKRAE-INIZCTEOSA-N 0 0 561.449 4.599 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409347269 1067056558 /nfs/dbraw/zinc/05/65/58/1067056558.db2.gz NMVZUSFMLIKRAE-MRXNPFEDSA-N 0 0 561.449 4.599 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409347283 1067056542 /nfs/dbraw/zinc/05/65/42/1067056542.db2.gz NUFPULIXTMRLPR-UHFFFAOYSA-N 0 0 528.476 4.813 40 30 KJEBRN C#CCOc1c(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)cc1OC ZINC000409347357 1067074619 /nfs/dbraw/zinc/07/46/19/1067074619.db2.gz PMVDXNDZPCANSC-YVLHZVERSA-N 0 0 505.371 4.784 40 30 KJEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000409347611 1067074418 /nfs/dbraw/zinc/07/44/18/1067074418.db2.gz QHQIYJIZFCPDPJ-UHFFFAOYSA-N 0 0 501.008 4.993 40 30 KJEBRN C=CCN1C(=O)/C(=C/c2cc(I)cc(I)c2OCC)SC1=S ZINC000409347667 1066359911 /nfs/dbraw/zinc/35/99/11/1066359911.db2.gz QNXHLIIRPOLYOV-GHXNOFRVSA-N 0 0 557.216 4.682 40 30 KJEBRN C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C ZINC000409347721 1067074237 /nfs/dbraw/zinc/07/42/37/1067074237.db2.gz QPOVMVMUGOJMHM-CYBMUJFWSA-N 0 0 515.064 4.502 40 30 KJEBRN C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C ZINC000409347726 1067074214 /nfs/dbraw/zinc/07/42/14/1067074214.db2.gz QPOVMVMUGOJMHM-ZDUSSCGKSA-N 0 0 515.064 4.502 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409347762 1067074100 /nfs/dbraw/zinc/07/41/00/1067074100.db2.gz MRPGVELFGAVCGE-UHFFFAOYSA-N 0 0 532.439 4.643 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1 ZINC000409347797 1067074169 /nfs/dbraw/zinc/07/41/69/1067074169.db2.gz QYPUGUCOCFYCRT-UHFFFAOYSA-N 0 0 539.342 4.633 40 30 KJEBRN Cc1ccc(NC(=O)COc2c(I)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc2I)cc1 ZINC000409347928 1066360328 /nfs/dbraw/zinc/36/03/28/1066360328.db2.gz NQRQSDHAOHVFTH-UHFFFAOYSA-N 0 0 680.240 4.519 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(OCC)cc1 ZINC000409347991 1066360207 /nfs/dbraw/zinc/36/02/07/1066360207.db2.gz OCMLNQIFYNUMBP-UHFFFAOYSA-N 0 0 520.442 4.830 40 30 KJEBRN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)n2C)cc1 ZINC000409348003 1067074182 /nfs/dbraw/zinc/07/41/82/1067074182.db2.gz OEXWNSFGCXUTRF-KRWDZBQOSA-N 0 0 552.726 4.569 40 30 KJEBRN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)n2C)cc1 ZINC000409348005 1067073972 /nfs/dbraw/zinc/07/39/72/1067073972.db2.gz OEXWNSFGCXUTRF-QGZVFWFLSA-N 0 0 552.726 4.569 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409348061 1067074005 /nfs/dbraw/zinc/07/40/05/1067074005.db2.gz QCOQOHCSRCQDEK-DEOSSOPVSA-N 0 0 535.670 4.807 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409348065 1067074020 /nfs/dbraw/zinc/07/40/20/1067074020.db2.gz QCOQOHCSRCQDEK-XMMPIXPASA-N 0 0 535.670 4.807 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC ZINC000409348126 1066360225 /nfs/dbraw/zinc/36/02/25/1066360225.db2.gz RMDVNVNALAAPDR-CPNJWEJPSA-N 0 0 550.443 4.784 40 30 KJEBRN O=C(COc1c(Cl)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br)Nc1cccc(F)c1 ZINC000409348291 1067073551 /nfs/dbraw/zinc/07/35/51/1067073551.db2.gz ORAWOYFVHXFJLP-UHFFFAOYSA-N 0 0 545.752 4.557 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409348364 1067073755 /nfs/dbraw/zinc/07/37/55/1067073755.db2.gz OYASSQBBPLTDKL-UHFFFAOYSA-N 0 0 618.815 4.659 40 30 KJEBRN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)n2C)c1 ZINC000409348477 1067073656 /nfs/dbraw/zinc/07/36/56/1067073656.db2.gz PMAKAIKPXSPSEZ-GOSISDBHSA-N 0 0 536.727 4.869 40 30 KJEBRN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)n2C)c1 ZINC000409348481 1067073767 /nfs/dbraw/zinc/07/37/67/1067073767.db2.gz PMAKAIKPXSPSEZ-SFHVURJKSA-N 0 0 536.727 4.869 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OC ZINC000409348548 1066360474 /nfs/dbraw/zinc/36/04/74/1066360474.db2.gz OLWDZOLNRPJESZ-WQRHYEAKSA-N 0 0 627.254 4.749 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409348632 1067073537 /nfs/dbraw/zinc/07/35/37/1067073537.db2.gz RLOQEIBHPLVIPX-INIZCTEOSA-N 0 0 514.449 4.757 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409348634 1067073679 /nfs/dbraw/zinc/07/36/79/1067073679.db2.gz RLOQEIBHPLVIPX-MRXNPFEDSA-N 0 0 514.449 4.757 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000409348692 1067073718 /nfs/dbraw/zinc/07/37/18/1067073718.db2.gz OMWNDRFTAREMSR-UHFFFAOYSA-N 0 0 535.413 4.648 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409348738 1067073616 /nfs/dbraw/zinc/07/36/16/1067073616.db2.gz PAZPKYAINGKJKR-AWEZNQCLSA-N 0 0 548.452 4.779 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409348740 1067073848 /nfs/dbraw/zinc/07/38/48/1067073848.db2.gz PAZPKYAINGKJKR-CQSZACIVSA-N 0 0 548.452 4.779 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1cccc(C(=O)OCCC)c1 ZINC000409348821 1066360243 /nfs/dbraw/zinc/36/02/43/1066360243.db2.gz QJSLQDBWHRYBRV-UHFFFAOYSA-N 0 0 510.616 4.658 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCc1ccccc1 ZINC000409349124 1067073110 /nfs/dbraw/zinc/07/31/10/1067073110.db2.gz RILCYFLSCIRWOQ-UHFFFAOYSA-N 0 0 514.763 4.988 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OC ZINC000409349132 1067073397 /nfs/dbraw/zinc/07/33/97/1067073397.db2.gz UPQWIKCDDDNYFV-WOJGMQOQSA-N 0 0 674.254 4.591 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409349149 1066360294 /nfs/dbraw/zinc/36/02/94/1066360294.db2.gz ROLUHSIGKFOYHK-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409349310 1067072687 /nfs/dbraw/zinc/07/26/87/1067072687.db2.gz PRRHXTSDFQKLNQ-INIZCTEOSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409349311 1067072873 /nfs/dbraw/zinc/07/28/73/1067072873.db2.gz PRRHXTSDFQKLNQ-MRXNPFEDSA-N 0 0 500.024 4.656 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409349329 1067072852 /nfs/dbraw/zinc/07/28/52/1067072852.db2.gz PVQVBICJQPDURH-UHFFFAOYSA-N 0 0 514.763 4.988 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000409349540 1067072702 /nfs/dbraw/zinc/07/27/02/1067072702.db2.gz UFIOEHYSEKVNAF-UHFFFAOYSA-N 0 0 573.197 4.817 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409349719 1067072861 /nfs/dbraw/zinc/07/28/61/1067072861.db2.gz UOFKBVGRZQJPRD-AWEZNQCLSA-N 0 0 529.091 4.985 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCc1ccccc1C#N ZINC000409349724 1066360264 /nfs/dbraw/zinc/36/02/64/1066360264.db2.gz RGVSVROWQLZZPC-UHFFFAOYSA-N 0 0 539.773 4.859 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409349727 1067072642 /nfs/dbraw/zinc/07/26/42/1067072642.db2.gz UOFKBVGRZQJPRD-CQSZACIVSA-N 0 0 529.091 4.985 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1OC ZINC000409349793 1067072417 /nfs/dbraw/zinc/07/24/17/1067072417.db2.gz WCLKVWZUKNVSDR-WOJGMQOQSA-N 0 0 627.254 4.749 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(OCc2ccc(Br)cc2Br)c([N+](=O)[O-])c1 ZINC000409349860 1067072235 /nfs/dbraw/zinc/07/22/35/1067072235.db2.gz VCWUZJJJLAAPMD-UHFFFAOYSA-N 0 0 574.185 4.997 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)Nc1cccc(F)c1 ZINC000409349950 1067072531 /nfs/dbraw/zinc/07/25/31/1067072531.db2.gz VIIBTTQQZOIYCS-UHFFFAOYSA-N 0 0 589.805 4.956 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409350069 1067071887 /nfs/dbraw/zinc/07/18/87/1067071887.db2.gz SKZWAZHVEMVWPZ-UHFFFAOYSA-N 0 0 544.475 4.513 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000409350099 1067072393 /nfs/dbraw/zinc/07/23/93/1067072393.db2.gz SLKPKUMVOGKLHB-UHFFFAOYSA-N 0 0 550.422 4.696 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000409350144 1066360973 /nfs/dbraw/zinc/36/09/73/1066360973.db2.gz SSRGCOMMRQFFSO-UHFFFAOYSA-N 0 0 528.746 4.708 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409350169 1067072402 /nfs/dbraw/zinc/07/24/02/1067072402.db2.gz UCZRXZJXXLNBTO-KRWDZBQOSA-N 0 0 542.061 4.906 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409350170 1067071820 /nfs/dbraw/zinc/07/18/20/1067071820.db2.gz UCZRXZJXXLNBTO-QGZVFWFLSA-N 0 0 542.061 4.906 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409350197 1067071923 /nfs/dbraw/zinc/07/19/23/1067071923.db2.gz UTWUJDGMSBYGDT-UHFFFAOYSA-N 0 0 528.476 4.813 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000409350278 1067072051 /nfs/dbraw/zinc/07/20/51/1067072051.db2.gz RMTMQOHVTUFAME-UHFFFAOYSA-N 0 0 553.710 4.550 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(I)cc1C ZINC000409350434 1067072019 /nfs/dbraw/zinc/07/20/19/1067072019.db2.gz RVNUPNZYYYKACL-UHFFFAOYSA-N 0 0 575.476 4.655 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409350651 1067072036 /nfs/dbraw/zinc/07/20/36/1067072036.db2.gz SENCVBDXFTVFNC-UHFFFAOYSA-N 0 0 527.931 4.936 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409350705 1067071975 /nfs/dbraw/zinc/07/19/75/1067071975.db2.gz SLTCYPFQCWSFGB-UHFFFAOYSA-N 0 0 519.355 4.596 40 30 KJEBRN CC[C@@H](C)Oc1c(Br)c(Br)c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1OC ZINC000409350918 1067071606 /nfs/dbraw/zinc/07/16/06/1067071606.db2.gz UVGXBAQKBHPQNS-LLVKDONJSA-N 0 0 525.197 4.695 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000409350919 1067071465 /nfs/dbraw/zinc/07/14/65/1067071465.db2.gz UZNQWUASGINLCT-UHFFFAOYSA-N 0 0 556.820 4.819 40 30 KJEBRN CC[C@H](C)Oc1c(Br)c(Br)c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1OC ZINC000409350922 1067071582 /nfs/dbraw/zinc/07/15/82/1067071582.db2.gz UVGXBAQKBHPQNS-NSHDSACASA-N 0 0 525.197 4.695 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409350932 1067071514 /nfs/dbraw/zinc/07/15/14/1067071514.db2.gz UWJRATIWWNCZFL-AWEZNQCLSA-N 0 0 581.867 4.944 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409350934 1067071632 /nfs/dbraw/zinc/07/16/32/1067071632.db2.gz UWJRATIWWNCZFL-CQSZACIVSA-N 0 0 581.867 4.944 40 30 KJEBRN O=C(COc1c(Cl)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409350969 1067071449 /nfs/dbraw/zinc/07/14/49/1067071449.db2.gz VKFXHLBEMANJSJ-UHFFFAOYSA-N 0 0 517.756 4.962 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000409351025 1067071416 /nfs/dbraw/zinc/07/14/16/1067071416.db2.gz WWGIXJXPAPUYJW-UHFFFAOYSA-N 0 0 534.667 4.565 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409351520 1067071195 /nfs/dbraw/zinc/07/11/95/1067071195.db2.gz WUMZLZPTLJGLAR-CYBMUJFWSA-N 0 0 535.413 4.901 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409351524 1067071150 /nfs/dbraw/zinc/07/11/50/1067071150.db2.gz WUMZLZPTLJGLAR-ZDUSSCGKSA-N 0 0 535.413 4.901 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409351715 1067070662 /nfs/dbraw/zinc/07/06/62/1067070662.db2.gz YMJMQRXRXSYGSF-UHFFFAOYSA-N 0 0 539.342 4.633 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409351733 1067071164 /nfs/dbraw/zinc/07/11/64/1067071164.db2.gz YPWXBZVOJGWBMS-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC#N)cc3)C2=O)ccc1Cl ZINC000409351932 1067070178 /nfs/dbraw/zinc/07/01/78/1067070178.db2.gz XRKRSGQXDWVBQG-BKUYFWCQSA-N 0 0 527.986 4.874 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000409351961 1067070779 /nfs/dbraw/zinc/07/07/79/1067070779.db2.gz ZVNCEJPATHUMBN-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1F ZINC000409351987 1067070647 /nfs/dbraw/zinc/07/06/47/1067070647.db2.gz XPYAONSWHQEGAJ-UHFFFAOYSA-N 0 0 620.229 4.675 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409351996 1067070801 /nfs/dbraw/zinc/07/08/01/1067070801.db2.gz XRTAXPGYULZKBG-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409352050 1067070850 /nfs/dbraw/zinc/07/08/50/1067070850.db2.gz YGYXJLLCMWIMAW-AWEZNQCLSA-N 0 0 513.048 4.949 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409352053 1067070754 /nfs/dbraw/zinc/07/07/54/1067070754.db2.gz YGYXJLLCMWIMAW-CQSZACIVSA-N 0 0 513.048 4.949 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409352148 1066360682 /nfs/dbraw/zinc/36/06/82/1066360682.db2.gz YXHIMTRFVKDKAU-KRWDZBQOSA-N 0 0 504.641 4.809 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409352153 1066207403 /nfs/dbraw/zinc/20/74/03/1066207403.db2.gz YXHIMTRFVKDKAU-QGZVFWFLSA-N 0 0 504.641 4.809 40 30 KJEBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)SC2=S)cc1 ZINC000409352193 1067070335 /nfs/dbraw/zinc/07/03/35/1067070335.db2.gz WPEGTYOMYQCWDC-OYKKKHCWSA-N 0 0 531.615 4.701 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCc1ccccc1F ZINC000409352275 1067070493 /nfs/dbraw/zinc/07/04/93/1067070493.db2.gz UYAIYIVCPVFQFQ-UHFFFAOYSA-N 0 0 559.335 4.706 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409352286 1067070392 /nfs/dbraw/zinc/07/03/92/1067070392.db2.gz VBOFRGIOTCPVKI-INIZCTEOSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409352287 1067070236 /nfs/dbraw/zinc/07/02/36/1067070236.db2.gz VBOFRGIOTCPVKI-MRXNPFEDSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409352319 1067070244 /nfs/dbraw/zinc/07/02/44/1067070244.db2.gz BXYMSMBNZIXROR-KRWDZBQOSA-N 0 0 520.684 4.806 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409352324 1067070477 /nfs/dbraw/zinc/07/04/77/1067070477.db2.gz BXYMSMBNZIXROR-QGZVFWFLSA-N 0 0 520.684 4.806 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409352327 1066361035 /nfs/dbraw/zinc/36/10/35/1066361035.db2.gz VIGCFILMOWWJCC-UHFFFAOYSA-N 0 0 512.335 4.864 40 30 KJEBRN Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000409352330 1067070410 /nfs/dbraw/zinc/07/04/10/1067070410.db2.gz VIMLJYWLXPYKIT-UHFFFAOYSA-N 0 0 525.540 4.548 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000409352338 1067070260 /nfs/dbraw/zinc/07/02/60/1067070260.db2.gz ZQUMUMJAQVEXDR-UHFFFAOYSA-N 0 0 525.719 4.989 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409352342 1067070202 /nfs/dbraw/zinc/07/02/02/1067070202.db2.gz ZRDJVXZVOFKFHY-HNNXBMFYSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409352345 1067070273 /nfs/dbraw/zinc/07/02/73/1067070273.db2.gz ZRDJVXZVOFKFHY-OAHLLOKOSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000409352358 1066360716 /nfs/dbraw/zinc/36/07/16/1066360716.db2.gz CBRXCXLFDWUBIX-UHFFFAOYSA-N 0 0 504.641 4.557 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)Nc1cccc(F)c1 ZINC000409352361 1066360856 /nfs/dbraw/zinc/36/08/56/1066360856.db2.gz YMGDZSTYMCSJHV-UHFFFAOYSA-N 0 0 620.229 4.675 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000409352492 1067069751 /nfs/dbraw/zinc/06/97/51/1067069751.db2.gz WEOWXBWZBOTKNB-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000409352569 1067070010 /nfs/dbraw/zinc/07/00/10/1067070010.db2.gz DIYAJGFNDNVBMK-UHFFFAOYSA-N 0 0 525.059 4.902 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409352991 1067069498 /nfs/dbraw/zinc/06/94/98/1067069498.db2.gz ZSUWWULCJWXMPM-UHFFFAOYSA-N 0 0 532.439 4.643 40 30 KJEBRN Cc1ccc(NC(=O)COc2c(Cl)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc2Br)cc1 ZINC000409353088 1067069451 /nfs/dbraw/zinc/06/94/51/1067069451.db2.gz GJBRDXZWQCXCRS-UHFFFAOYSA-N 0 0 541.789 4.726 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1C ZINC000409353098 1067069562 /nfs/dbraw/zinc/06/95/62/1067069562.db2.gz GOPZOLLBIGDZLM-UHFFFAOYSA-N 0 0 571.815 4.735 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409353105 1067069466 /nfs/dbraw/zinc/06/94/66/1067069466.db2.gz GSGMLKKTAFAKQA-INIZCTEOSA-N 0 0 514.449 4.757 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409353106 1067069550 /nfs/dbraw/zinc/06/95/50/1067069550.db2.gz GSGMLKKTAFAKQA-MRXNPFEDSA-N 0 0 514.449 4.757 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1-c1ccc(OC)cc1 ZINC000409353351 1067069361 /nfs/dbraw/zinc/06/93/61/1067069361.db2.gz JKKLVQMRMWMWFW-UHFFFAOYSA-N 0 0 520.396 4.784 40 30 KJEBRN N#Cc1ccccc1COc1c(Cl)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br ZINC000409353356 1067069419 /nfs/dbraw/zinc/06/94/19/1067069419.db2.gz JMKZLJGMGAYANZ-UHFFFAOYSA-N 0 0 509.747 4.851 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409353429 1067068946 /nfs/dbraw/zinc/06/89/46/1067068946.db2.gz KRXFUKHBSQFMKM-DEOSSOPVSA-N 0 0 535.670 4.807 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409353430 1067069001 /nfs/dbraw/zinc/06/90/01/1067069001.db2.gz KRXFUKHBSQFMKM-XMMPIXPASA-N 0 0 535.670 4.807 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000409353467 1067069176 /nfs/dbraw/zinc/06/91/76/1067069176.db2.gz LMLGKEJBKDKBNU-UHFFFAOYSA-N 0 0 505.825 4.785 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000409353543 1067068784 /nfs/dbraw/zinc/06/87/84/1067068784.db2.gz MYQRSFJSMSKKSH-UHFFFAOYSA-N 0 0 585.111 4.919 40 30 KJEBRN Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409353565 1067069068 /nfs/dbraw/zinc/06/90/68/1067069068.db2.gz NJZZUCUQBMNNOP-UHFFFAOYSA-N 0 0 509.522 4.879 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409353574 1067069091 /nfs/dbraw/zinc/06/90/91/1067069091.db2.gz NRENXQGSUGOVBP-HNNXBMFYSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409353575 1067069030 /nfs/dbraw/zinc/06/90/30/1067069030.db2.gz NRENXQGSUGOVBP-OAHLLOKOSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000409353599 1067069189 /nfs/dbraw/zinc/06/91/89/1067069189.db2.gz NZMSISIOHMPGAH-UHFFFAOYSA-N 0 0 521.412 4.993 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409353632 1067069116 /nfs/dbraw/zinc/06/91/16/1067069116.db2.gz OSEAWONOMVUATC-UHFFFAOYSA-N 0 0 591.172 4.613 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000409353642 1067069128 /nfs/dbraw/zinc/06/91/28/1067069128.db2.gz OVRYGKJMROKAQU-UHFFFAOYSA-N 0 0 668.185 4.681 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409353717 1067068718 /nfs/dbraw/zinc/06/87/18/1067068718.db2.gz QDDODGVFSSZJSI-DEOSSOPVSA-N 0 0 535.670 4.807 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409353718 1067068757 /nfs/dbraw/zinc/06/87/57/1067068757.db2.gz QDDODGVFSSZJSI-XMMPIXPASA-N 0 0 535.670 4.807 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(I)cc1C(C)C ZINC000409353875 1066360876 /nfs/dbraw/zinc/36/08/76/1066360876.db2.gz TZADIIGMPIVQPD-UHFFFAOYSA-N 0 0 575.476 4.853 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409353890 1067068722 /nfs/dbraw/zinc/06/87/22/1067068722.db2.gz UBRABXYDWLVLBH-UHFFFAOYSA-N 0 0 544.475 4.513 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409353924 1067068626 /nfs/dbraw/zinc/06/86/26/1067068626.db2.gz UUECSLXKIVWSAS-HNNXBMFYSA-N 0 0 532.439 4.896 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409353925 1067068724 /nfs/dbraw/zinc/06/87/24/1067068724.db2.gz UUECSLXKIVWSAS-OAHLLOKOSA-N 0 0 532.439 4.896 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000409353937 1067068670 /nfs/dbraw/zinc/06/86/70/1067068670.db2.gz VBRLOOWQASKVKN-UHFFFAOYSA-N 0 0 520.840 4.541 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCc1cccc(C)c1 ZINC000409353982 1067068238 /nfs/dbraw/zinc/06/82/38/1067068238.db2.gz VZMJZFIRTXXDIY-UHFFFAOYSA-N 0 0 555.372 4.875 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409354023 1067068251 /nfs/dbraw/zinc/06/82/51/1067068251.db2.gz WSHLMPFNVSDCCP-UHFFFAOYSA-N 0 0 527.075 4.590 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409354029 1067068266 /nfs/dbraw/zinc/06/82/66/1067068266.db2.gz WXUIEDPXCQYAEU-UHFFFAOYSA-N 0 0 539.967 4.806 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409354078 1067068174 /nfs/dbraw/zinc/06/81/74/1067068174.db2.gz XRVDNYLIRHYKHX-UHFFFAOYSA-N 0 0 575.778 4.565 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409354087 1067068447 /nfs/dbraw/zinc/06/84/47/1067068447.db2.gz XWBKUPBGWAKJMU-KRWDZBQOSA-N 0 0 542.061 4.905 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409354088 1067068204 /nfs/dbraw/zinc/06/82/04/1067068204.db2.gz XWBKUPBGWAKJMU-QGZVFWFLSA-N 0 0 542.061 4.905 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000409354143 1067067801 /nfs/dbraw/zinc/06/78/01/1067067801.db2.gz YXTNVLVQZHUEOF-UHFFFAOYSA-N 0 0 641.178 4.912 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409354186 1067068341 /nfs/dbraw/zinc/06/83/41/1067068341.db2.gz ZSJUBGKPPPCZDW-HNNXBMFYSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409354187 1067068419 /nfs/dbraw/zinc/06/84/19/1067068419.db2.gz ZSJUBGKPPPCZDW-OAHLLOKOSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2c(C)cc(I)cc2C)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409354220 1066361179 /nfs/dbraw/zinc/36/11/79/1066361179.db2.gz ANSFYSSVGXDFRG-KRWDZBQOSA-N 0 0 575.476 4.907 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2c(C)cc(I)cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409354221 1067068373 /nfs/dbraw/zinc/06/83/73/1067068373.db2.gz ANSFYSSVGXDFRG-QGZVFWFLSA-N 0 0 575.476 4.907 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409354234 1067068326 /nfs/dbraw/zinc/06/83/26/1067068326.db2.gz ASKQJBAWEKDKAP-UHFFFAOYSA-N 0 0 527.364 4.707 40 30 KJEBRN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000409354272 1067067815 /nfs/dbraw/zinc/06/78/15/1067067815.db2.gz BGLIXECNIVZBFW-UHFFFAOYSA-N 0 0 550.422 4.696 40 30 KJEBRN O=C(COc1c(Br)cc(Cl)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)cc1 ZINC000409354361 1067067733 /nfs/dbraw/zinc/06/77/33/1067067733.db2.gz DCKBMFCPIHOTRJ-UHFFFAOYSA-N 0 0 545.752 4.557 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000409354464 1067067892 /nfs/dbraw/zinc/06/78/92/1067067892.db2.gz FUXAZGIPQIJPEP-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN O=C(COc1c(Br)cc(Cl)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1F ZINC000409354535 1067067857 /nfs/dbraw/zinc/06/78/57/1067067857.db2.gz HEWPYXPDOUNZHE-UHFFFAOYSA-N 0 0 545.752 4.557 40 30 KJEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000409354541 1067067830 /nfs/dbraw/zinc/06/78/30/1067067830.db2.gz HGSJHINFKPVZET-UHFFFAOYSA-N 0 0 534.423 4.707 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409354543 1067067958 /nfs/dbraw/zinc/06/79/58/1067067958.db2.gz HHINAMTXWQGBAF-UHFFFAOYSA-N 0 0 574.185 4.997 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409354548 1067067870 /nfs/dbraw/zinc/06/78/70/1067067870.db2.gz HJBIEIMIPXNSKK-UHFFFAOYSA-N 0 0 589.805 4.956 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409354579 1066361352 /nfs/dbraw/zinc/36/13/52/1066361352.db2.gz IGTLNYNEPLIHHN-INIZCTEOSA-N 0 0 514.449 4.757 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409354580 1067067481 /nfs/dbraw/zinc/06/74/81/1067067481.db2.gz IGTLNYNEPLIHHN-MRXNPFEDSA-N 0 0 514.449 4.757 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409354599 1067067468 /nfs/dbraw/zinc/06/74/68/1067067468.db2.gz IOJOMARNLHRZLR-KRWDZBQOSA-N 0 0 553.710 4.803 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409354601 1067067518 /nfs/dbraw/zinc/06/75/18/1067067518.db2.gz IOJOMARNLHRZLR-QGZVFWFLSA-N 0 0 553.710 4.803 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409354632 1067067375 /nfs/dbraw/zinc/06/73/75/1067067375.db2.gz AMXHLEHNSSSAQX-KRWDZBQOSA-N 0 0 520.684 4.806 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409354633 1067067529 /nfs/dbraw/zinc/06/75/29/1067067529.db2.gz AMXHLEHNSSSAQX-QGZVFWFLSA-N 0 0 520.684 4.806 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000409354732 1067067094 /nfs/dbraw/zinc/06/70/94/1067067094.db2.gz ANMAVFNQTUVJCP-UHFFFAOYSA-N 0 0 576.188 4.930 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)cc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409354751 1067067057 /nfs/dbraw/zinc/06/70/57/1067067057.db2.gz ARVFHFRTPBSVJE-UHFFFAOYSA-N 0 0 571.815 4.816 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409354885 1066361316 /nfs/dbraw/zinc/36/13/16/1066361316.db2.gz AHDFILUNEVFSRC-INIZCTEOSA-N 0 0 561.449 4.599 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409354889 1067066975 /nfs/dbraw/zinc/06/69/75/1067066975.db2.gz AHDFILUNEVFSRC-MRXNPFEDSA-N 0 0 561.449 4.599 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000409354917 1067066965 /nfs/dbraw/zinc/06/69/65/1067066965.db2.gz BBWLLMLZZDEDDW-UHFFFAOYSA-N 0 0 574.128 4.895 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(I)cc1C(C)C ZINC000409354945 1067066989 /nfs/dbraw/zinc/06/69/89/1067066989.db2.gz BDKDRHRZKKELAI-UHFFFAOYSA-N 0 0 593.466 4.992 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409354975 1067067118 /nfs/dbraw/zinc/06/71/18/1067067118.db2.gz AZCODASKEBEXMM-UHFFFAOYSA-N 0 0 620.229 4.675 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409354976 1067067172 /nfs/dbraw/zinc/06/71/72/1067067172.db2.gz BLAKXIKWXZJGGT-UHFFFAOYSA-N 0 0 509.657 4.903 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000409355041 1066361456 /nfs/dbraw/zinc/36/14/56/1066361456.db2.gz BIBIOUIDESQNFM-UHFFFAOYSA-N 0 0 512.335 4.864 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409355092 1067067107 /nfs/dbraw/zinc/06/71/07/1067067107.db2.gz BMMBZFFNLDBCRQ-UHFFFAOYSA-N 0 0 539.342 4.633 40 30 KJEBRN Cc1ccccc1NC(=O)COc1c(Br)cc(Cl)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O ZINC000409355185 1067066702 /nfs/dbraw/zinc/06/67/02/1067066702.db2.gz BVRJMKMSMVMFCO-UHFFFAOYSA-N 0 0 541.789 4.726 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409355201 1067066727 /nfs/dbraw/zinc/06/67/27/1067066727.db2.gz CCGVZTAQHJTULJ-UHFFFAOYSA-N 0 0 514.763 4.988 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409355303 1067066652 /nfs/dbraw/zinc/06/66/52/1067066652.db2.gz CJPWWMLHEUSZKA-UHFFFAOYSA-N 0 0 575.778 4.565 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc(C)ccc1OC ZINC000409355346 1067066641 /nfs/dbraw/zinc/06/66/41/1067066641.db2.gz CAPRGUDOSQOBPJ-UHFFFAOYSA-N 0 0 520.442 4.749 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409355403 1067066741 /nfs/dbraw/zinc/06/67/41/1067066741.db2.gz CFNNQPIKZLHOCL-HNNXBMFYSA-N 0 0 532.439 4.896 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409355408 1067066632 /nfs/dbraw/zinc/06/66/32/1067066632.db2.gz CFNNQPIKZLHOCL-OAHLLOKOSA-N 0 0 532.439 4.896 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409355433 1067066190 /nfs/dbraw/zinc/06/61/90/1067066190.db2.gz CKRCSJNCNGJQRD-UHFFFAOYSA-N 0 0 561.763 4.830 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409355450 1067066205 /nfs/dbraw/zinc/06/62/05/1067066205.db2.gz CJCULYBYCARNRI-DEOSSOPVSA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409355453 1067066257 /nfs/dbraw/zinc/06/62/57/1067066257.db2.gz CJCULYBYCARNRI-XMMPIXPASA-N 0 0 507.660 4.947 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(CC)cc1 ZINC000409355621 1067066369 /nfs/dbraw/zinc/06/63/69/1067066369.db2.gz DKEXAHUSGOAWDQ-UHFFFAOYSA-N 0 0 504.443 4.994 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(OCC)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409355628 1067066309 /nfs/dbraw/zinc/06/63/09/1067066309.db2.gz DOCAFZUIANHYOS-UHFFFAOYSA-N 0 0 532.984 4.782 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000409355671 1067066232 /nfs/dbraw/zinc/06/62/32/1067066232.db2.gz DNLORSMIYPXWLX-UHFFFAOYSA-N 0 0 518.668 4.865 40 30 KJEBRN Cc1ccccc1NC(=O)COc1c(I)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1I ZINC000409355740 1066207849 /nfs/dbraw/zinc/20/78/49/1066207849.db2.gz KQGXDUKWMGRKER-UHFFFAOYSA-N 0 0 680.240 4.519 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409355849 1066361820 /nfs/dbraw/zinc/36/18/20/1066361820.db2.gz DVVNTMSDXKCPNE-DEOSSOPVSA-N 0 0 535.670 4.807 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409355850 1067066339 /nfs/dbraw/zinc/06/63/39/1067066339.db2.gz DVVNTMSDXKCPNE-XMMPIXPASA-N 0 0 535.670 4.807 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409355867 1066361748 /nfs/dbraw/zinc/36/17/48/1066361748.db2.gz DZCZLQGBTGRAMV-UHFFFAOYSA-N 0 0 555.372 4.875 40 30 KJEBRN Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409355873 1067065780 /nfs/dbraw/zinc/06/57/80/1067065780.db2.gz FAWSPHOZSIJJOL-INIZCTEOSA-N 0 0 522.700 4.811 40 30 KJEBRN Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409355875 1067065893 /nfs/dbraw/zinc/06/58/93/1067065893.db2.gz FAWSPHOZSIJJOL-MRXNPFEDSA-N 0 0 522.700 4.811 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409355892 1067065972 /nfs/dbraw/zinc/06/59/72/1067065972.db2.gz FNTQEAMEBGRYGR-INIZCTEOSA-N 0 0 528.034 4.516 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409355893 1067065854 /nfs/dbraw/zinc/06/58/54/1067065854.db2.gz FNTQEAMEBGRYGR-MRXNPFEDSA-N 0 0 528.034 4.516 40 30 KJEBRN Cc1cccc(COc2c(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc(Br)cc2[N+](=O)[O-])c1 ZINC000409355930 1067065936 /nfs/dbraw/zinc/06/59/36/1067065936.db2.gz FTTJGJYAAFDNHI-UHFFFAOYSA-N 0 0 509.316 4.542 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409356054 1067065581 /nfs/dbraw/zinc/06/55/81/1067065581.db2.gz DTZCNZYNVCZIOB-INIZCTEOSA-N 0 0 514.449 4.757 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409356057 1067065524 /nfs/dbraw/zinc/06/55/24/1067065524.db2.gz DTZCNZYNVCZIOB-MRXNPFEDSA-N 0 0 514.449 4.757 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCc1ccccc1C#N ZINC000409356074 1066362759 /nfs/dbraw/zinc/36/27/59/1066362759.db2.gz DTWBMCKFQGNLLE-UHFFFAOYSA-N 0 0 584.224 4.969 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409356100 1067065753 /nfs/dbraw/zinc/06/57/53/1067065753.db2.gz DZFUUQWQIWOGPX-AWEZNQCLSA-N 0 0 581.867 4.944 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409356103 1067065826 /nfs/dbraw/zinc/06/58/26/1067065826.db2.gz DZFUUQWQIWOGPX-CQSZACIVSA-N 0 0 581.867 4.944 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409356157 1067065479 /nfs/dbraw/zinc/06/54/79/1067065479.db2.gz FGWOSZNIFNWWQU-UHFFFAOYSA-N 0 0 571.815 4.816 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1c(C)cc(I)cc1C ZINC000409356231 1067065403 /nfs/dbraw/zinc/06/54/03/1067065403.db2.gz FUCRRRQEZGOPDU-UHFFFAOYSA-N 0 0 575.476 4.655 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(I)c1OCc1cccc(F)c1 ZINC000409356271 1067065551 /nfs/dbraw/zinc/06/55/51/1067065551.db2.gz GIMIAQUWAMXODP-UHFFFAOYSA-N 0 0 559.335 4.706 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409356274 1067065374 /nfs/dbraw/zinc/06/53/74/1067065374.db2.gz FXIVZGMGHSXEGW-UHFFFAOYSA-N 0 0 514.763 4.988 40 30 KJEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)OCCC)c1 ZINC000409356453 1066362701 /nfs/dbraw/zinc/36/27/01/1066362701.db2.gz GUQGALPBDGYBKI-UHFFFAOYSA-N 0 0 501.008 4.994 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409356569 1067065594 /nfs/dbraw/zinc/06/55/94/1067065594.db2.gz IAQPSDSHYMAEIL-JOCHJYFZSA-N 0 0 508.604 4.539 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409356573 1067065490 /nfs/dbraw/zinc/06/54/90/1067065490.db2.gz IAQPSDSHYMAEIL-QFIPXVFZSA-N 0 0 508.604 4.539 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)c(OCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000409356605 1067065183 /nfs/dbraw/zinc/06/51/83/1067065183.db2.gz HWFGILBLONBRAN-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c1OCc1ccc(Br)cc1 ZINC000409356610 1067065537 /nfs/dbraw/zinc/06/55/37/1067065537.db2.gz GGZFYBNRPYHYOI-UHFFFAOYSA-N 0 0 514.763 4.988 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409356634 1067065350 /nfs/dbraw/zinc/06/53/50/1067065350.db2.gz GUEKYBQITLXARE-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000409356746 1067064995 /nfs/dbraw/zinc/06/49/95/1067064995.db2.gz HGKMENJXHPTCQS-UHFFFAOYSA-N 0 0 518.668 4.865 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409356902 1067064905 /nfs/dbraw/zinc/06/49/05/1067064905.db2.gz HXHJWUCUMHMWIL-INIZCTEOSA-N 0 0 508.673 4.640 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409356905 1067064968 /nfs/dbraw/zinc/06/49/68/1067064968.db2.gz HXHJWUCUMHMWIL-MRXNPFEDSA-N 0 0 508.673 4.640 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1 ZINC000409356906 1067065072 /nfs/dbraw/zinc/06/50/72/1067065072.db2.gz ORACSBKWMOBBNU-UHFFFAOYSA-N 0 0 616.266 4.926 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000409356959 1066362827 /nfs/dbraw/zinc/36/28/27/1066362827.db2.gz OVXGURLIVSFOSB-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(C)cc(I)cc1C ZINC000409356976 1067064984 /nfs/dbraw/zinc/06/49/84/1067064984.db2.gz HSFFYOJIUMPLIT-UHFFFAOYSA-N 0 0 595.894 5.000 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409357055 1067065169 /nfs/dbraw/zinc/06/51/69/1067065169.db2.gz IKAWRBLPJXXBJF-UHFFFAOYSA-N 0 0 559.760 4.896 40 30 KJEBRN Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409357070 1067065101 /nfs/dbraw/zinc/06/51/01/1067065101.db2.gz IOYSSBKRYLNZON-UHFFFAOYSA-N 0 0 535.482 4.846 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)Nc1cccc(F)c1 ZINC000409357096 1067065028 /nfs/dbraw/zinc/06/50/28/1067065028.db2.gz ITZUYWPZGAKHGT-UHFFFAOYSA-N 0 0 575.778 4.565 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000409357174 1067065129 /nfs/dbraw/zinc/06/51/29/1067065129.db2.gz JHZKLGOKLATCLV-UHFFFAOYSA-N 0 0 667.197 4.501 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409357203 1067064538 /nfs/dbraw/zinc/06/45/38/1067064538.db2.gz PIPBVQLRHXCRJA-UHFFFAOYSA-N 0 0 514.763 4.988 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409357247 1067064663 /nfs/dbraw/zinc/06/46/63/1067064663.db2.gz IDJIHUSLHCBFOP-KRWDZBQOSA-N 0 0 542.061 4.906 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409357250 1067064759 /nfs/dbraw/zinc/06/47/59/1067064759.db2.gz IDJIHUSLHCBFOP-QGZVFWFLSA-N 0 0 542.061 4.906 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000409357272 1067064919 /nfs/dbraw/zinc/06/49/19/1067064919.db2.gz IETJWMUEENSQED-UHFFFAOYSA-N 0 0 508.406 4.879 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccccc1Cl ZINC000409357360 1066362650 /nfs/dbraw/zinc/36/26/50/1066362650.db2.gz IPBRFRRMSYOCOQ-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000409357363 1067075147 /nfs/dbraw/zinc/07/51/47/1067075147.db2.gz IPVSYDQQMWCPNM-UHFFFAOYSA-N 0 0 518.668 4.865 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409357404 1067075354 /nfs/dbraw/zinc/07/53/54/1067075354.db2.gz HYCDYWCECQQUEB-UHFFFAOYSA-N 0 0 559.760 4.896 40 30 KJEBRN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000409357417 1067075365 /nfs/dbraw/zinc/07/53/65/1067075365.db2.gz HZPFIMSFPBGBSM-UHFFFAOYSA-N 0 0 503.422 4.853 40 30 KJEBRN Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409357495 1067074950 /nfs/dbraw/zinc/07/49/50/1067074950.db2.gz JHJJWFIFSQDWFN-UHFFFAOYSA-N 0 0 509.522 4.879 40 30 KJEBRN C=CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000409357657 1067074824 /nfs/dbraw/zinc/07/48/24/1067074824.db2.gz BNIHFKIPZIPJJU-UHFFFAOYSA-N 0 0 500.621 4.944 40 30 KJEBRN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409357776 1067074452 /nfs/dbraw/zinc/07/44/52/1067074452.db2.gz JXPXMQHCPFPUEZ-UHFFFAOYSA-N 0 0 503.422 4.853 40 30 KJEBRN O=C(COc1c(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409357815 1066362917 /nfs/dbraw/zinc/36/29/17/1066362917.db2.gz RKAAASGUZXCNQB-UHFFFAOYSA-N 0 0 590.203 4.666 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Br)c1OCc1ccccc1F ZINC000409357851 1067074887 /nfs/dbraw/zinc/07/48/87/1067074887.db2.gz KKSJANLDJSLDDL-UHFFFAOYSA-N 0 0 512.335 4.864 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl ZINC000409357863 1067074921 /nfs/dbraw/zinc/07/49/21/1067074921.db2.gz RVNWHBCICIIKQE-UHFFFAOYSA-N 0 0 515.309 4.787 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409357889 1067074840 /nfs/dbraw/zinc/07/48/40/1067074840.db2.gz KOWMYBBKXAOAIF-INIZCTEOSA-N 0 0 561.449 4.599 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409357892 1067075015 /nfs/dbraw/zinc/07/50/15/1067075015.db2.gz KOWMYBBKXAOAIF-MRXNPFEDSA-N 0 0 561.449 4.599 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000409357904 1067074808 /nfs/dbraw/zinc/07/48/08/1067074808.db2.gz KTVWEDGLVURMNX-UHFFFAOYSA-N 0 0 504.641 4.557 40 30 KJEBRN N#Cc1ccccc1COc1c(I)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1I ZINC000409357947 1067074557 /nfs/dbraw/zinc/07/45/57/1067074557.db2.gz SGHMHNWJBOXCPH-UHFFFAOYSA-N 0 0 648.198 4.644 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409357967 1067074469 /nfs/dbraw/zinc/07/44/69/1067074469.db2.gz SIRZRYVLSSDHIY-IBGZPJMESA-N 0 0 521.643 4.560 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409357970 1067074361 /nfs/dbraw/zinc/07/43/61/1067074361.db2.gz SIRZRYVLSSDHIY-LJQANCHMSA-N 0 0 521.643 4.560 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409357993 1067074402 /nfs/dbraw/zinc/07/44/02/1067074402.db2.gz SMUUHSNROARDKH-UHFFFAOYSA-N 0 0 500.511 4.599 40 30 KJEBRN Cc1ccc(COc2c(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc(Br)cc2[N+](=O)[O-])cc1 ZINC000409358042 1067074636 /nfs/dbraw/zinc/07/46/36/1067074636.db2.gz JVNRYIBWXBTZAD-UHFFFAOYSA-N 0 0 509.316 4.542 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409358086 1067084325 /nfs/dbraw/zinc/08/43/25/1067084325.db2.gz KDZRKNXHDPGWQJ-UHFFFAOYSA-N 0 0 546.721 4.504 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000409358099 1067084178 /nfs/dbraw/zinc/08/41/78/1067084178.db2.gz JUAWQGRITJMECD-UHFFFAOYSA-N 0 0 534.667 4.565 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000409358141 1067084298 /nfs/dbraw/zinc/08/42/98/1067084298.db2.gz KMOTZISHMLHOBY-UHFFFAOYSA-N 0 0 504.641 4.557 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409358148 1067084162 /nfs/dbraw/zinc/08/41/62/1067084162.db2.gz KGLFOJKSZMJAJI-IBGZPJMESA-N 0 0 521.643 4.561 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409358151 1067084096 /nfs/dbraw/zinc/08/40/96/1067084096.db2.gz KGLFOJKSZMJAJI-LJQANCHMSA-N 0 0 521.643 4.561 40 30 KJEBRN O=C(COc1c(Br)cc(Cl)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(F)c1 ZINC000409358162 1067084310 /nfs/dbraw/zinc/08/43/10/1067084310.db2.gz KPEIZLOKWIXYBO-UHFFFAOYSA-N 0 0 545.752 4.557 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000409358318 1066362741 /nfs/dbraw/zinc/36/27/41/1066362741.db2.gz LEMVERNSIGILHR-UHFFFAOYSA-N 0 0 522.631 4.696 40 30 KJEBRN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409358369 1067083592 /nfs/dbraw/zinc/08/35/92/1067083592.db2.gz LQNKZIOBEHWTQN-IBGZPJMESA-N 0 0 580.780 4.980 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000409358404 1067083889 /nfs/dbraw/zinc/08/38/89/1067083889.db2.gz STBFHTJFQJEISH-UHFFFAOYSA-N 0 0 558.772 4.717 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409358435 1067083808 /nfs/dbraw/zinc/08/38/08/1067083808.db2.gz UACGODBCCPEYRP-INIZCTEOSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409358436 1067083874 /nfs/dbraw/zinc/08/38/74/1067083874.db2.gz UACGODBCCPEYRP-MRXNPFEDSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409358504 1067083857 /nfs/dbraw/zinc/08/38/57/1067083857.db2.gz KWEWFCPXUVMQDV-HNNXBMFYSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409358505 1067083732 /nfs/dbraw/zinc/08/37/32/1067083732.db2.gz KWEWFCPXUVMQDV-OAHLLOKOSA-N 0 0 514.995 4.556 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409358512 1067083637 /nfs/dbraw/zinc/08/36/37/1067083637.db2.gz LAUSCXAOESEZGZ-UHFFFAOYSA-N 0 0 616.266 4.844 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000409358577 1067083824 /nfs/dbraw/zinc/08/38/24/1067083824.db2.gz MCIPTCYWZUKUBK-UHFFFAOYSA-N 0 0 556.820 4.819 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409358662 1067083344 /nfs/dbraw/zinc/08/33/44/1067083344.db2.gz NAIFJSRPDIEMRB-CYBMUJFWSA-N 0 0 536.402 4.727 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409358666 1067083224 /nfs/dbraw/zinc/08/32/24/1067083224.db2.gz NAIFJSRPDIEMRB-ZDUSSCGKSA-N 0 0 536.402 4.727 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409358702 1067083672 /nfs/dbraw/zinc/08/36/72/1067083672.db2.gz LGTNOQPEKPEXHU-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000409358846 1067083287 /nfs/dbraw/zinc/08/32/87/1067083287.db2.gz MIKKMIBVPOFLCQ-UHFFFAOYSA-N 0 0 548.452 4.608 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409358903 1067083377 /nfs/dbraw/zinc/08/33/77/1067083377.db2.gz MADLAMSFYXXQBG-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409358930 1067083450 /nfs/dbraw/zinc/08/34/50/1067083450.db2.gz LQNKZIOBEHWTQN-LJQANCHMSA-N 0 0 580.780 4.980 40 30 KJEBRN O=C(COc1c(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br)Nc1cccc(F)c1 ZINC000409359009 1067083273 /nfs/dbraw/zinc/08/32/73/1067083273.db2.gz MKLJDELZGJDJSX-UHFFFAOYSA-N 0 0 590.203 4.666 40 30 KJEBRN C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000409359025 1067083241 /nfs/dbraw/zinc/08/32/41/1067083241.db2.gz MMNUTGFINPWTTB-UHFFFAOYSA-N 0 0 525.375 4.823 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409359069 1067083304 /nfs/dbraw/zinc/08/33/04/1067083304.db2.gz MIQBIMYOHGEFHJ-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409359097 1067083091 /nfs/dbraw/zinc/08/30/91/1067083091.db2.gz MLSSTVAQBMOEGF-UHFFFAOYSA-N 0 0 520.840 4.541 40 30 KJEBRN O=C(COc1c(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br)Nc1ccccc1 ZINC000409359102 1067082921 /nfs/dbraw/zinc/08/29/21/1067082921.db2.gz MPNIDYNLYNPQKZ-UHFFFAOYSA-N 0 0 572.213 4.527 40 30 KJEBRN C=CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000409359298 1067082889 /nfs/dbraw/zinc/08/28/89/1067082889.db2.gz IMUOEDSZCUWQQO-UHFFFAOYSA-N 0 0 514.120 4.992 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000409359390 1067082967 /nfs/dbraw/zinc/08/29/67/1067082967.db2.gz NOJVXSYXDJDPTM-UHFFFAOYSA-N 0 0 504.641 4.557 40 30 KJEBRN O=C(COc1c(Cl)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409359488 1066363269 /nfs/dbraw/zinc/36/32/69/1066363269.db2.gz OTQDWCXCBWGSDZ-UHFFFAOYSA-N 0 0 545.752 4.557 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409359639 1067082717 /nfs/dbraw/zinc/08/27/17/1067082717.db2.gz PKIGPAAKOSWSAZ-AWEZNQCLSA-N 0 0 518.412 4.588 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409359642 1067082859 /nfs/dbraw/zinc/08/28/59/1067082859.db2.gz PKIGPAAKOSWSAZ-CQSZACIVSA-N 0 0 518.412 4.588 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409359646 1067082906 /nfs/dbraw/zinc/08/29/06/1067082906.db2.gz NGJDTYGYHNRIDU-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 ZINC000409359654 1067083109 /nfs/dbraw/zinc/08/31/09/1067083109.db2.gz NHOCVPHTSYKFAG-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409359659 1067083020 /nfs/dbraw/zinc/08/30/20/1067083020.db2.gz NISAZBPZDFMDEK-HSZRJFAPSA-N 0 0 522.631 4.847 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409359661 1067082629 /nfs/dbraw/zinc/08/26/29/1067082629.db2.gz NISAZBPZDFMDEK-QHCPKHFHSA-N 0 0 522.631 4.847 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000409359703 1067082529 /nfs/dbraw/zinc/08/25/29/1067082529.db2.gz NEBPOJBZALRZKI-UHFFFAOYSA-N 0 0 528.746 4.708 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409359740 1067082662 /nfs/dbraw/zinc/08/26/62/1067082662.db2.gz XVDXAPXOLSSCQV-UHFFFAOYSA-N 0 0 509.941 4.797 40 30 KJEBRN Cc1ccccc1NC(=O)COc1c(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br ZINC000409359860 1067082677 /nfs/dbraw/zinc/08/26/77/1067082677.db2.gz NUZJXIBYAGYKDB-UHFFFAOYSA-N 0 0 586.240 4.835 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000409359864 1066363185 /nfs/dbraw/zinc/36/31/85/1066363185.db2.gz OANXADRBSBTOOV-UHFFFAOYSA-N 0 0 518.668 4.865 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409359875 1066363449 /nfs/dbraw/zinc/36/34/49/1066363449.db2.gz OAWFGJNLARTUKY-UHFFFAOYSA-N 0 0 519.355 4.596 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409359948 1067082642 /nfs/dbraw/zinc/08/26/42/1067082642.db2.gz NQNYVDBRTFXMCN-UHFFFAOYSA-N 0 0 528.476 4.813 40 30 KJEBRN Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000409360017 1067082235 /nfs/dbraw/zinc/08/22/35/1067082235.db2.gz OBEASECCVZOJFD-UHFFFAOYSA-N 0 0 521.577 4.718 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409360044 1067082599 /nfs/dbraw/zinc/08/25/99/1067082599.db2.gz OJVVEZCSLLBWQK-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409360053 1067082422 /nfs/dbraw/zinc/08/24/22/1067082422.db2.gz ONBJCLFDABZHGE-JOCHJYFZSA-N 0 0 508.604 4.539 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409360054 1067082517 /nfs/dbraw/zinc/08/25/17/1067082517.db2.gz ONBJCLFDABZHGE-QFIPXVFZSA-N 0 0 508.604 4.539 40 30 KJEBRN Cc1ccc(COc2c(Br)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc2[N+](=O)[O-])cc1 ZINC000409360088 1067082545 /nfs/dbraw/zinc/08/25/45/1067082545.db2.gz OVLTVRNZONGYMI-UHFFFAOYSA-N 0 0 509.316 4.542 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000409360391 1067082130 /nfs/dbraw/zinc/08/21/30/1067082130.db2.gz PNYBPYMYTXOHFD-UHFFFAOYSA-N 0 0 535.413 4.648 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409360582 1067082291 /nfs/dbraw/zinc/08/22/91/1067082291.db2.gz BBIPJXUPBOAIRC-UHFFFAOYSA-N 0 0 529.734 4.887 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409360592 1067082262 /nfs/dbraw/zinc/08/22/62/1067082262.db2.gz ORUSEOYMIREPLW-KRWDZBQOSA-N 0 0 575.476 4.907 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409360595 1067082185 /nfs/dbraw/zinc/08/21/85/1067082185.db2.gz ORUSEOYMIREPLW-QGZVFWFLSA-N 0 0 575.476 4.907 40 30 KJEBRN Cc1ccccc1NC(=O)COc1c(Cl)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br ZINC000409360649 1066363298 /nfs/dbraw/zinc/36/32/98/1066363298.db2.gz PBTYFSNDAMODMV-UHFFFAOYSA-N 0 0 541.789 4.726 40 30 KJEBRN O=C(COc1c(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br)Nc1ccccc1F ZINC000409360654 1066363128 /nfs/dbraw/zinc/36/31/28/1066363128.db2.gz BRXWWCHFSDKXEA-UHFFFAOYSA-N 0 0 590.203 4.666 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409360899 1067082216 /nfs/dbraw/zinc/08/22/16/1067082216.db2.gz OWQJXCONMXHMJS-UHFFFAOYSA-N 0 0 500.338 4.887 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409361313 1067081670 /nfs/dbraw/zinc/08/16/70/1067081670.db2.gz RFDHLWJXVYVSRF-KRWDZBQOSA-N 0 0 575.476 4.907 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409361316 1066361733 /nfs/dbraw/zinc/36/17/33/1066361733.db2.gz RFDHLWJXVYVSRF-QGZVFWFLSA-N 0 0 575.476 4.907 40 30 KJEBRN COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409361327 1067081870 /nfs/dbraw/zinc/08/18/70/1067081870.db2.gz CIKJBDAHIUTSNN-UHFFFAOYSA-N 0 0 504.558 4.895 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409361437 1067081350 /nfs/dbraw/zinc/08/13/50/1067081350.db2.gz SKJBDPNUQBKVCW-UHFFFAOYSA-N 0 0 571.815 4.816 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000409361446 1067081169 /nfs/dbraw/zinc/08/11/69/1067081169.db2.gz SLRNOVLEDDPGFB-UHFFFAOYSA-N 0 0 520.840 4.541 40 30 KJEBRN Cc1ccc(NC(=O)COc2c(Br)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc2Br)cc1 ZINC000409361475 1067081296 /nfs/dbraw/zinc/08/12/96/1067081296.db2.gz SAGOCZFTUIOTTL-UHFFFAOYSA-N 0 0 586.240 4.835 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1 ZINC000409361496 1067081323 /nfs/dbraw/zinc/08/13/23/1067081323.db2.gz SVXKDWFDGHOMJI-UHFFFAOYSA-N 0 0 574.185 4.997 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409361515 1067081388 /nfs/dbraw/zinc/08/13/88/1067081388.db2.gz SWXSBLJEQNFIIM-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409361673 1067081221 /nfs/dbraw/zinc/08/12/21/1067081221.db2.gz RCDTZILFNJUSQX-UHFFFAOYSA-N 0 0 539.342 4.633 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409361749 1067081073 /nfs/dbraw/zinc/08/10/73/1067081073.db2.gz QTJYPZWMGAEKEK-KRWDZBQOSA-N 0 0 505.069 4.822 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409361759 1067081436 /nfs/dbraw/zinc/08/14/36/1067081436.db2.gz QTJYPZWMGAEKEK-QGZVFWFLSA-N 0 0 505.069 4.822 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000409361893 1067080955 /nfs/dbraw/zinc/08/09/55/1067080955.db2.gz REUCFRYIQBCCBC-UHFFFAOYSA-N 0 0 538.830 4.680 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cccc(C(=O)OCCC)c1 ZINC000409361941 1067081038 /nfs/dbraw/zinc/08/10/38/1067081038.db2.gz RHSIWGIDOHHTGL-UHFFFAOYSA-N 0 0 562.479 4.999 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000409362083 1067080969 /nfs/dbraw/zinc/08/09/69/1067080969.db2.gz RVRONWKGKOWZSD-JOCHJYFZSA-N 0 0 508.604 4.539 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000409362087 1067080987 /nfs/dbraw/zinc/08/09/87/1067080987.db2.gz RVRONWKGKOWZSD-QFIPXVFZSA-N 0 0 508.604 4.539 40 30 KJEBRN N#Cc1ccccc1COc1c(Br)cc(Cl)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O ZINC000409362146 1067080355 /nfs/dbraw/zinc/08/03/55/1067080355.db2.gz SJNYYAFNIWYWHM-UHFFFAOYSA-N 0 0 509.747 4.851 40 30 KJEBRN N#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000409362223 1067080893 /nfs/dbraw/zinc/08/08/93/1067080893.db2.gz UKBJIGPEVNNLNV-MFOYZWKCSA-N 0 0 506.765 4.680 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000409362242 1067080933 /nfs/dbraw/zinc/08/09/33/1067080933.db2.gz UMSKURGTBJNSFR-UHFFFAOYSA-N 0 0 525.059 4.902 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000409362300 1067080518 /nfs/dbraw/zinc/08/05/18/1067080518.db2.gz UTTCSBIPHSWTNA-DEOSSOPVSA-N 0 0 535.670 4.887 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000409362303 1066361888 /nfs/dbraw/zinc/36/18/88/1066361888.db2.gz UTTCSBIPHSWTNA-XMMPIXPASA-N 0 0 535.670 4.887 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000409362333 1067080617 /nfs/dbraw/zinc/08/06/17/1067080617.db2.gz UEVKTZOAOMHTLW-UHFFFAOYSA-N 0 0 581.867 4.691 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000409362483 1067080558 /nfs/dbraw/zinc/08/05/58/1067080558.db2.gz VCUGVHGLBZQZHN-UHFFFAOYSA-N 0 0 555.085 4.910 40 30 KJEBRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(I)cc1C ZINC000409362711 1067080435 /nfs/dbraw/zinc/08/04/35/1067080435.db2.gz SKVWKNGINNKVOB-UHFFFAOYSA-N 0 0 534.423 4.995 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409362759 1067080072 /nfs/dbraw/zinc/08/00/72/1067080072.db2.gz GOEZKQXAASQIDH-UHFFFAOYSA-N 0 0 528.476 4.813 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409362785 1066361771 /nfs/dbraw/zinc/36/17/71/1066361771.db2.gz SQYWLWNQBRYFBW-UHFFFAOYSA-N 0 0 527.075 4.590 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409362798 1067080098 /nfs/dbraw/zinc/08/00/98/1067080098.db2.gz SEIRHVOPEKRIRP-IBGZPJMESA-N 0 0 521.643 4.561 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409362804 1067080083 /nfs/dbraw/zinc/08/00/83/1067080083.db2.gz SEIRHVOPEKRIRP-LJQANCHMSA-N 0 0 521.643 4.561 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000409362806 1067080632 /nfs/dbraw/zinc/08/06/32/1067080632.db2.gz GRGYVEOYUKHKOL-UHFFFAOYSA-N 0 0 534.867 4.849 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000409362858 1067080320 /nfs/dbraw/zinc/08/03/20/1067080320.db2.gz HCKCOLJSEOEOOO-UHFFFAOYSA-N 0 0 510.616 4.656 40 30 KJEBRN Cc1ccc(NC(=O)COc2c(Br)cc(Cl)cc2C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000409362898 1067079898 /nfs/dbraw/zinc/07/98/98/1067079898.db2.gz SJHFSZAHUGWQPK-UHFFFAOYSA-N 0 0 541.789 4.726 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409362934 1066361695 /nfs/dbraw/zinc/36/16/95/1066361695.db2.gz HLSIRDCMIRLNOL-AWEZNQCLSA-N 0 0 513.048 4.949 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409362938 1067079990 /nfs/dbraw/zinc/07/99/90/1067079990.db2.gz HLSIRDCMIRLNOL-CQSZACIVSA-N 0 0 513.048 4.949 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)cc1OCc1ccccc1F ZINC000409362948 1067080056 /nfs/dbraw/zinc/08/00/56/1067080056.db2.gz HMLMBIKRDCSJHM-UHFFFAOYSA-N 0 0 512.335 4.864 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409363019 1067079657 /nfs/dbraw/zinc/07/96/57/1067079657.db2.gz UJXDUTHWEBXTAO-CYBMUJFWSA-N 0 0 535.413 4.901 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409363023 1067079613 /nfs/dbraw/zinc/07/96/13/1067079613.db2.gz UJXDUTHWEBXTAO-ZDUSSCGKSA-N 0 0 535.413 4.901 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409363024 1067079596 /nfs/dbraw/zinc/07/95/96/1067079596.db2.gz UELRPAGUFMGWRV-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000409363127 1067079934 /nfs/dbraw/zinc/07/99/34/1067079934.db2.gz TWGMWDIFFHAFDG-UHFFFAOYSA-N 0 0 513.667 4.946 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000409363134 1067079959 /nfs/dbraw/zinc/07/99/59/1067079959.db2.gz TWRLGHOVRWYREY-DEOSSOPVSA-N 0 0 535.670 4.889 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCCC)c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000409363137 1067079910 /nfs/dbraw/zinc/07/99/10/1067079910.db2.gz TWRLGHOVRWYREY-XMMPIXPASA-N 0 0 535.670 4.889 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409363160 1067080006 /nfs/dbraw/zinc/08/00/06/1067080006.db2.gz UVMFNPKQPVHBLC-INIZCTEOSA-N 0 0 514.449 4.757 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409363162 1067079943 /nfs/dbraw/zinc/07/99/43/1067079943.db2.gz UVMFNPKQPVHBLC-MRXNPFEDSA-N 0 0 514.449 4.757 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409363200 1067079788 /nfs/dbraw/zinc/07/97/88/1067079788.db2.gz VAAIZTWLZXAIER-INIZCTEOSA-N 0 0 528.034 4.516 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409363202 1066361757 /nfs/dbraw/zinc/36/17/57/1066361757.db2.gz VAAIZTWLZXAIER-MRXNPFEDSA-N 0 0 528.034 4.516 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409363270 1067079719 /nfs/dbraw/zinc/07/97/19/1067079719.db2.gz LCUDHGWPKJUJKI-UHFFFAOYSA-N 0 0 504.558 4.943 40 30 KJEBRN CC(C)(C)COc1c(I)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1I ZINC000409363272 1067079536 /nfs/dbraw/zinc/07/95/36/1067079536.db2.gz VJCSKGCPNALQNA-UHFFFAOYSA-N 0 0 603.198 4.618 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000409363383 1067079640 /nfs/dbraw/zinc/07/96/40/1067079640.db2.gz WKTWPLVZDYZRTI-UHFFFAOYSA-N 0 0 623.188 4.773 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409363497 1067079305 /nfs/dbraw/zinc/07/93/05/1067079305.db2.gz WHRIHIGCORALSU-UHFFFAOYSA-N 0 0 532.439 4.643 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409363516 1067079041 /nfs/dbraw/zinc/07/90/41/1067079041.db2.gz WWUFFKVJOACAPM-UHFFFAOYSA-N 0 0 512.335 4.864 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1 ZINC000409363783 1066362170 /nfs/dbraw/zinc/36/21/70/1066362170.db2.gz VBVNRYYUSQPYSA-UHFFFAOYSA-N 0 0 531.737 4.821 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1C ZINC000409363848 1067079009 /nfs/dbraw/zinc/07/90/09/1067079009.db2.gz JJPLLQPYAYNEHO-UHFFFAOYSA-N 0 0 616.266 4.844 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(I)cc1C(C)C ZINC000409363888 1067079318 /nfs/dbraw/zinc/07/93/18/1067079318.db2.gz UUPPQBGMADGHBJ-UHFFFAOYSA-N 0 0 605.502 4.862 40 30 KJEBRN C=CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000409364027 1067078624 /nfs/dbraw/zinc/07/86/24/1067078624.db2.gz VYNFQBDREXSMIR-UHFFFAOYSA-N 0 0 503.422 4.853 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409364135 1067078809 /nfs/dbraw/zinc/07/88/09/1067078809.db2.gz WCPAKMGXKRKDGF-UHFFFAOYSA-N 0 0 539.342 4.633 40 30 KJEBRN Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000409364175 1067078702 /nfs/dbraw/zinc/07/87/02/1067078702.db2.gz VPWSJKNGNLUORQ-UHFFFAOYSA-N 0 0 508.534 4.700 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000409364217 1066362378 /nfs/dbraw/zinc/36/23/78/1066362378.db2.gz WBSKWRBQGBTRNG-UHFFFAOYSA-N 0 0 641.178 4.912 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409364243 1066362232 /nfs/dbraw/zinc/36/22/32/1066362232.db2.gz WJGZJYGEZNWDTJ-KRWDZBQOSA-N 0 0 520.684 4.806 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409364244 1067078255 /nfs/dbraw/zinc/07/82/55/1067078255.db2.gz WJGZJYGEZNWDTJ-QGZVFWFLSA-N 0 0 520.684 4.806 40 30 KJEBRN O=C(COc1c(Cl)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br)Nc1ccccc1F ZINC000409364250 1067078760 /nfs/dbraw/zinc/07/87/60/1067078760.db2.gz WLWVEGNICBIALZ-UHFFFAOYSA-N 0 0 545.752 4.557 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409364258 1067078826 /nfs/dbraw/zinc/07/88/26/1067078826.db2.gz WUXDHFLSGQHVMY-HNNXBMFYSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409364259 1067078650 /nfs/dbraw/zinc/07/86/50/1067078650.db2.gz WUXDHFLSGQHVMY-OAHLLOKOSA-N 0 0 514.995 4.556 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409364501 1067078495 /nfs/dbraw/zinc/07/84/95/1067078495.db2.gz YHFVWVAMSSNOPB-UHFFFAOYSA-N 0 0 555.831 4.993 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCc1ccc2c(c1)OCO2 ZINC000409364730 1067078506 /nfs/dbraw/zinc/07/85/06/1067078506.db2.gz YKRUWROPEYCVIJ-UHFFFAOYSA-N 0 0 603.223 4.826 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000409364733 1067078387 /nfs/dbraw/zinc/07/83/87/1067078387.db2.gz YKVYEMXYVZNZAA-UHFFFAOYSA-N 0 0 514.449 4.504 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1Br ZINC000409364760 1067078303 /nfs/dbraw/zinc/07/83/03/1067078303.db2.gz LLMKGJXZXCLMTR-UHFFFAOYSA-N 0 0 574.185 4.997 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409364774 1067077954 /nfs/dbraw/zinc/07/79/54/1067077954.db2.gz LPKDQNPBMITIRG-HNNXBMFYSA-N 0 0 532.439 4.896 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409364776 1067078370 /nfs/dbraw/zinc/07/83/70/1067078370.db2.gz LPKDQNPBMITIRG-OAHLLOKOSA-N 0 0 532.439 4.896 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000409364779 1067078274 /nfs/dbraw/zinc/07/82/74/1067078274.db2.gz YTQIGDPATPTCND-JOCHJYFZSA-N 0 0 508.604 4.539 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000409364782 1067078521 /nfs/dbraw/zinc/07/85/21/1067078521.db2.gz YTQIGDPATPTCND-QFIPXVFZSA-N 0 0 508.604 4.539 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409364874 1067078320 /nfs/dbraw/zinc/07/83/20/1067078320.db2.gz NOWPXZDETQLLFU-INIZCTEOSA-N 0 0 528.034 4.516 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409364877 1067078434 /nfs/dbraw/zinc/07/84/34/1067078434.db2.gz NOWPXZDETQLLFU-MRXNPFEDSA-N 0 0 528.034 4.516 40 30 KJEBRN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1c(C)cc(I)cc1C ZINC000409364937 1067077847 /nfs/dbraw/zinc/07/78/47/1067077847.db2.gz WQTVRPCJMDZSNE-UHFFFAOYSA-N 0 0 575.476 4.655 40 30 KJEBRN CC(C)(C)COc1c(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br ZINC000409364946 1066362336 /nfs/dbraw/zinc/36/23/36/1066362336.db2.gz WVGGJHFEMAISFH-UHFFFAOYSA-N 0 0 509.198 4.934 40 30 KJEBRN C=CCc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409364957 1067077935 /nfs/dbraw/zinc/07/79/35/1067077935.db2.gz WSNZIKGRWWLCSE-UHFFFAOYSA-N 0 0 500.511 4.599 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000409365019 1067077985 /nfs/dbraw/zinc/07/79/85/1067077985.db2.gz XCOJTYPNOVLLKH-KRWDZBQOSA-N 0 0 575.476 4.907 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000409365023 1067077891 /nfs/dbraw/zinc/07/78/91/1067077891.db2.gz XCOJTYPNOVLLKH-QGZVFWFLSA-N 0 0 575.476 4.907 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000409365064 1067077574 /nfs/dbraw/zinc/07/75/74/1067077574.db2.gz XBLUAONSLRPUGY-NRFANRHFSA-N 0 0 529.022 4.884 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000409365067 1067077493 /nfs/dbraw/zinc/07/74/93/1067077493.db2.gz XBLUAONSLRPUGY-OAQYLSRUSA-N 0 0 529.022 4.884 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409365178 1067077876 /nfs/dbraw/zinc/07/78/76/1067077876.db2.gz XSKWWDLHCHEGPO-UHFFFAOYSA-N 0 0 538.830 4.680 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000409365313 1067077480 /nfs/dbraw/zinc/07/74/80/1067077480.db2.gz ZCCZAOXPXSELOB-HNNXBMFYSA-N 0 0 504.443 4.670 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)N[C@H](C)c1ccccc1 ZINC000409365317 1067077591 /nfs/dbraw/zinc/07/75/91/1067077591.db2.gz ZCCZAOXPXSELOB-OAHLLOKOSA-N 0 0 504.443 4.670 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409365508 1067076946 /nfs/dbraw/zinc/07/69/46/1067076946.db2.gz ZZXSFFFJOBNQBL-KRWDZBQOSA-N 0 0 542.061 4.905 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409365510 1067077092 /nfs/dbraw/zinc/07/70/92/1067077092.db2.gz ZZXSFFFJOBNQBL-QGZVFWFLSA-N 0 0 542.061 4.905 40 30 KJEBRN Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccccc2C)cc1 ZINC000409365554 1067076931 /nfs/dbraw/zinc/07/69/31/1067076931.db2.gz YKVPKOXUOQJKBI-UHFFFAOYSA-N 0 0 521.577 4.718 40 30 KJEBRN N#Cc1ccccc1COc1c(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br ZINC000409365571 1067076840 /nfs/dbraw/zinc/07/68/40/1067076840.db2.gz YPCAQKKGFXHJHN-UHFFFAOYSA-N 0 0 554.198 4.960 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409365792 1066362394 /nfs/dbraw/zinc/36/23/94/1066362394.db2.gz OSWFUTPVTPTKKV-IBGZPJMESA-N 0 0 521.643 4.560 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409365793 1067076397 /nfs/dbraw/zinc/07/63/97/1067076397.db2.gz OSWFUTPVTPTKKV-LJQANCHMSA-N 0 0 521.643 4.560 40 30 KJEBRN COc1cc(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c1OCc1ccc(Cl)cc1 ZINC000409365927 1067077035 /nfs/dbraw/zinc/07/70/35/1067077035.db2.gz ZOLBDXSCQMLDJS-UHFFFAOYSA-N 0 0 514.763 4.988 40 30 KJEBRN COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409366260 1067076162 /nfs/dbraw/zinc/07/61/62/1067076162.db2.gz ZORMANUSOGUUNJ-UHFFFAOYSA-N 0 0 571.815 4.735 40 30 KJEBRN C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000409366328 1067076177 /nfs/dbraw/zinc/07/61/77/1067076177.db2.gz ZWZGHLCGMGZHGN-UHFFFAOYSA-N 0 0 550.422 4.696 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409366330 1067075971 /nfs/dbraw/zinc/07/59/71/1067075971.db2.gz ZXLORJGWGSIKKT-UHFFFAOYSA-N 0 0 528.476 4.813 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000409366359 1067075910 /nfs/dbraw/zinc/07/59/10/1067075910.db2.gz QSKBYGLUYDEPMI-UHFFFAOYSA-N 0 0 538.830 4.680 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)c(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000409366475 1067076110 /nfs/dbraw/zinc/07/61/10/1067076110.db2.gz SHPPWUAPZCSEGJ-UHFFFAOYSA-N 0 0 574.185 4.997 40 30 KJEBRN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409366751 1067075791 /nfs/dbraw/zinc/07/57/91/1067075791.db2.gz VQJHRFGYNAEREI-UHFFFAOYSA-N 0 0 528.476 4.813 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cn2)c(Br)c1 ZINC000409366896 1067075721 /nfs/dbraw/zinc/07/57/21/1067075721.db2.gz WPFXUSIKDHOSSU-UHFFFAOYSA-N 0 0 561.146 4.605 40 30 KJEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(OCc2ccccc2Cl)c(I)c1 ZINC000409366919 1067075552 /nfs/dbraw/zinc/07/55/52/1067075552.db2.gz XLIILVXWKRAOIT-UHFFFAOYSA-N 0 0 531.737 4.821 40 30 KJEBRN CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409366936 1067075601 /nfs/dbraw/zinc/07/56/01/1067075601.db2.gz XTIZLJGZLJKVMK-VAWYXSNFSA-N 0 0 541.102 4.824 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409366993 1067075568 /nfs/dbraw/zinc/07/55/68/1067075568.db2.gz ZKEPUYHLJVHODV-INIZCTEOSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409366994 1067075521 /nfs/dbraw/zinc/07/55/21/1067075521.db2.gz ZKEPUYHLJVHODV-MRXNPFEDSA-N 0 0 500.024 4.656 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409367012 1067075734 /nfs/dbraw/zinc/07/57/34/1067075734.db2.gz ZYDLPUCGQUCKAW-RUZDIDTESA-N 0 0 611.168 4.838 40 30 KJEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000409367013 1067075643 /nfs/dbraw/zinc/07/56/43/1067075643.db2.gz ZYDLPUCGQUCKAW-VWLOTQADSA-N 0 0 611.168 4.838 40 30 KJEBRN C#CCOc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409368425 1067091084 /nfs/dbraw/zinc/09/10/84/1067091084.db2.gz VACDPJYRWCZTAD-ZDLGFXPLSA-N 0 0 508.408 4.952 40 30 KJEBRN COc1ccccc1NC(=O)COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC ZINC000409369328 1067090573 /nfs/dbraw/zinc/09/05/73/1067090573.db2.gz AXBNWWRGBPBOLN-UHFFFAOYSA-N 0 0 503.551 4.849 40 30 KJEBRN COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC#N ZINC000409369650 1067090592 /nfs/dbraw/zinc/09/05/92/1067090592.db2.gz UMAXWPZNHHRSKW-MFOYZWKCSA-N 0 0 509.396 4.842 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1F ZINC000409369667 1067090851 /nfs/dbraw/zinc/09/08/51/1067090851.db2.gz DQZFOVVUBWMBDV-UHFFFAOYSA-N 0 0 504.558 4.943 40 30 KJEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3c4ccc(Br)cc4C(=O)C3=O)sc2C1 ZINC000409370003 1067090791 /nfs/dbraw/zinc/09/07/91/1067090791.db2.gz JEGVURQTZBBYHH-GFCCVEGCSA-N 0 0 500.418 4.701 40 30 KJEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3c4ccc(Br)cc4C(=O)C3=O)sc2C1 ZINC000409370004 1067090865 /nfs/dbraw/zinc/09/08/65/1067090865.db2.gz JEGVURQTZBBYHH-LBPRGKRZSA-N 0 0 500.418 4.701 40 30 KJEBRN N#Cc1ccccc1COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Br ZINC000409370081 1067090001 /nfs/dbraw/zinc/09/00/01/1067090001.db2.gz KRKMVRKFTDXYLZ-XKZIYDEJSA-N 0 0 540.439 4.949 40 30 KJEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)S1 ZINC000409370159 1067090075 /nfs/dbraw/zinc/09/00/75/1067090075.db2.gz MCXYJHZMTALXTI-JAIQZWGSSA-N 0 0 550.862 4.540 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000409370958 1067089519 /nfs/dbraw/zinc/08/95/19/1067089519.db2.gz AKRPZYOWBJXYQM-LSFURLLWSA-N 0 0 599.663 4.946 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 ZINC000409370964 1067089492 /nfs/dbraw/zinc/08/94/92/1067089492.db2.gz AQTCMCBFUPWWIP-LSFURLLWSA-N 0 0 691.114 4.897 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2cccc(C)c2)c(I)c1 ZINC000409370983 1067089671 /nfs/dbraw/zinc/08/96/71/1067089671.db2.gz BIVLJQWTZDTQOF-LSHDLFTRSA-N 0 0 579.245 4.601 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2ccc(C)cc2)c(I)c1 ZINC000409370994 1067090388 /nfs/dbraw/zinc/09/03/88/1067090388.db2.gz BVEOORLJXBVLCR-LSHDLFTRSA-N 0 0 579.245 4.601 40 30 KJEBRN C=CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br ZINC000409371485 1067089504 /nfs/dbraw/zinc/08/95/04/1067089504.db2.gz WTALSZGOJFPYAC-BKUYFWCQSA-N 0 0 513.413 4.635 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(OC)c(OCc2ccc(Br)cc2)cc1Br ZINC000409371605 1066363881 /nfs/dbraw/zinc/36/38/81/1066363881.db2.gz FGTIYVITOOATIX-LSHDLFTRSA-N 0 0 501.244 4.617 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409371645 1067089796 /nfs/dbraw/zinc/08/97/96/1067089796.db2.gz FUUVMLDKCHKZLV-ZVBGSRNCSA-N 0 0 516.215 4.517 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1 ZINC000409371701 1067089625 /nfs/dbraw/zinc/08/96/25/1067089625.db2.gz GHMXZHKHQQKDPC-LSHDLFTRSA-N 0 0 501.244 4.617 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(OCC)c1 ZINC000409372192 1066363758 /nfs/dbraw/zinc/36/37/58/1066363758.db2.gz JGPAOFOMZLKPIK-FOKLQQMPSA-N 0 0 562.271 4.849 40 30 KJEBRN CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409372471 1067088883 /nfs/dbraw/zinc/08/88/83/1067088883.db2.gz LEFLXFLQFRTZMV-LSFURLLWSA-N 0 0 508.212 4.995 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000409372866 1067089018 /nfs/dbraw/zinc/08/90/18/1067089018.db2.gz NKXASHQWXLFXEX-LSFURLLWSA-N 0 0 599.663 4.946 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(OCC)c1 ZINC000409372979 1066364000 /nfs/dbraw/zinc/36/40/00/1066364000.db2.gz OTRBKCYFJXVIHP-FOKLQQMPSA-N 0 0 609.271 4.691 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000409373071 1067089005 /nfs/dbraw/zinc/08/90/05/1067089005.db2.gz QOLKBSBFVDPJOW-FOKLQQMPSA-N 0 0 517.820 4.740 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000409373393 1067088248 /nfs/dbraw/zinc/08/82/48/1067088248.db2.gz RFSIUDPPYIKMQS-FOKLQQMPSA-N 0 0 517.820 4.740 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(OCC)c1 ZINC000409373421 1067088556 /nfs/dbraw/zinc/08/85/56/1067088556.db2.gz RZZOBAPVELNBAD-FOKLQQMPSA-N 0 0 562.271 4.849 40 30 KJEBRN C=CCc1cc(/C=N/NC(=S)NCC)cc(OCC)c1OCc1ccc(I)cc1 ZINC000409373422 1067088659 /nfs/dbraw/zinc/08/86/59/1067088659.db2.gz SALVFQWDOYJJBW-AFUMVMLFSA-N 0 0 523.440 4.815 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 ZINC000409373456 1066363716 /nfs/dbraw/zinc/36/37/16/1066363716.db2.gz SWGQNTBSUCFCIA-LSFURLLWSA-N 0 0 508.212 4.995 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000409373806 1067088510 /nfs/dbraw/zinc/08/85/10/1067088510.db2.gz WISRXIRFOQJTKD-ZVBGSRNCSA-N 0 0 516.215 4.517 40 30 KJEBRN CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000409373995 1067087800 /nfs/dbraw/zinc/08/78/00/1067087800.db2.gz XKXIKVZTXLOJTK-LSFURLLWSA-N 0 0 508.212 4.995 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(OCC)c1 ZINC000409374222 1067088043 /nfs/dbraw/zinc/08/80/43/1067088043.db2.gz YYNACSZPSIDNEY-FOKLQQMPSA-N 0 0 517.820 4.740 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(OC)c1 ZINC000409374231 1066363849 /nfs/dbraw/zinc/36/38/49/1066363849.db2.gz ZELHZIFMKFZQIV-DHRITJCHSA-N 0 0 519.408 4.850 40 30 KJEBRN CCNC(=S)N/N=C/c1cc(I)c(OCc2cccc3ccccc32)c(OC)c1 ZINC000409374241 1067087990 /nfs/dbraw/zinc/08/79/90/1067087990.db2.gz ZJOZBOGQFFDEGB-DHRITJCHSA-N 0 0 519.408 4.850 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1OC ZINC000409374578 1066364378 /nfs/dbraw/zinc/36/43/78/1066364378.db2.gz UFERHJBYHMCWSD-UDWIEESQSA-N 0 0 590.439 4.912 40 30 KJEBRN N#Cc1ccccc1COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 ZINC000409374875 1067086965 /nfs/dbraw/zinc/08/69/65/1067086965.db2.gz AUWSYSYUZVCMHD-YSMPRRRNSA-N 0 0 509.587 4.758 40 30 KJEBRN O=C(COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)cc1Br)N1CCOCC1 ZINC000409374976 1067086894 /nfs/dbraw/zinc/08/68/94/1067086894.db2.gz CLROZGAPECOTKB-UWTHTANNSA-N 0 0 593.503 4.886 40 30 KJEBRN C=CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1OC ZINC000409375240 1067086996 /nfs/dbraw/zinc/08/69/96/1067086996.db2.gz HPGWWYAMVAEZHL-UUYOSTAYSA-N 0 0 543.439 4.644 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409376131 1067084245 /nfs/dbraw/zinc/08/42/45/1067084245.db2.gz UVFGATLEJVHOHL-UHFFFAOYSA-N 0 0 516.594 4.812 40 30 KJEBRN N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000409377099 1067085452 /nfs/dbraw/zinc/08/54/52/1067085452.db2.gz DJUNUDRLMBNQRA-YSMPRRRNSA-N 0 0 509.587 4.758 40 30 KJEBRN C=CCOc1c(I)cc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OC ZINC000409377171 1067085195 /nfs/dbraw/zinc/08/51/95/1067085195.db2.gz GNNGANHXSYQOBF-KRWDZBQOSA-N 0 0 512.369 4.632 40 30 KJEBRN C=CCOc1c(I)cc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OC ZINC000409377173 1067085315 /nfs/dbraw/zinc/08/53/15/1067085315.db2.gz GNNGANHXSYQOBF-QGZVFWFLSA-N 0 0 512.369 4.632 40 30 KJEBRN COc1cc(/C=N\OCC(=O)Nc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409377280 1067084645 /nfs/dbraw/zinc/08/46/45/1067084645.db2.gz HLCXQHXSCCPPFU-MXAYSNPKSA-N 0 0 561.332 4.776 40 30 KJEBRN COc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)cc2OC)cc1 ZINC000409378650 1067091910 /nfs/dbraw/zinc/09/19/10/1067091910.db2.gz QYGQBNPYUMOFMV-UHFFFAOYSA-N 0 0 516.594 4.765 40 30 KJEBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(I)c2)SC1=S ZINC000409378995 1067091581 /nfs/dbraw/zinc/09/15/81/1067091581.db2.gz UAVCHBIOYYLCJR-ZDLGFXPLSA-N 0 0 506.390 4.963 40 30 KJEBRN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000409379866 1067104178 /nfs/dbraw/zinc/10/41/78/1067104178.db2.gz AIRFAQVBWNRSFR-XKZIYDEJSA-N 0 0 540.439 4.949 40 30 KJEBRN N#Cc1ccccc1COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1I ZINC000409380037 1067104452 /nfs/dbraw/zinc/10/44/52/1067104452.db2.gz GFIRCNSSXBIKGC-XKZIYDEJSA-N 0 0 587.439 4.791 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409380129 1067102868 /nfs/dbraw/zinc/10/28/68/1067102868.db2.gz IPUWRHJJBSZDMB-JLPGSUDCSA-N 0 0 551.621 4.960 40 30 KJEBRN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1OC ZINC000409380196 1067103740 /nfs/dbraw/zinc/10/37/40/1067103740.db2.gz KBRGHPQVNCYAEL-UHFFFAOYSA-N 0 0 516.594 4.812 40 30 KJEBRN COc1ccccc1NC(=O)COc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC ZINC000409380660 1067102845 /nfs/dbraw/zinc/10/28/45/1067102845.db2.gz PFOFIBVQRHPDFT-UHFFFAOYSA-N 0 0 516.594 4.765 40 30 KJEBRN O=C(COc1ccc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1Br)N1CCOCC1 ZINC000409380975 1067102472 /nfs/dbraw/zinc/10/24/72/1067102472.db2.gz QHUGIXDJDVGSDL-GRSHGNNSSA-N 0 0 571.280 4.885 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1OC ZINC000409381009 1067101718 /nfs/dbraw/zinc/10/17/18/1067101718.db2.gz QTDSYRFVUADLDT-BKUYFWCQSA-N 0 0 543.439 4.644 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1OCC ZINC000409381059 1067101810 /nfs/dbraw/zinc/10/18/10/1067101810.db2.gz DIAMOHQOVHWLGH-HMAPJEAMSA-N 0 0 604.466 4.876 40 30 KJEBRN CCCOc1c(I)cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000409381565 1067100740 /nfs/dbraw/zinc/10/07/40/1067100740.db2.gz GTJCXQREJZKMJU-JJFYIABZSA-N 0 0 502.736 4.731 40 30 KJEBRN O=C(COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Br)N1CCOCC1 ZINC000409382241 1067099700 /nfs/dbraw/zinc/09/97/00/1067099700.db2.gz MEDSXXPHPMOXIE-WQRHYEAKSA-N 0 0 571.280 4.885 40 30 KJEBRN O=C(COc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1Br)N1CCOCC1 ZINC000409382287 1067099570 /nfs/dbraw/zinc/09/95/70/1067099570.db2.gz MPJWCIYUFKCZAX-FOKLQQMPSA-N 0 0 516.617 4.853 40 30 KJEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)S1 ZINC000409383085 1067098338 /nfs/dbraw/zinc/09/83/38/1067098338.db2.gz RFOCZPDQPGNHLK-NDENLUEZSA-N 0 0 550.862 4.540 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1I ZINC000409383253 1067098603 /nfs/dbraw/zinc/09/86/03/1067098603.db2.gz VINPESAMVXYYFA-WJDWOHSUSA-N 0 0 638.265 4.509 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409383313 195517998 /nfs/dbraw/zinc/51/79/98/195517998.db2.gz WARBKFWWFFYWMN-XKZIYDEJSA-N 0 0 570.465 4.957 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2\SC(=S)N(CC)C2=O)cc1I ZINC000409383379 1066365046 /nfs/dbraw/zinc/36/50/46/1066365046.db2.gz XAOUMWLOLDEYKF-WQLSENKSSA-N 0 0 557.216 4.682 40 30 KJEBRN COc1cc(/C=N\OCC(=O)Nc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409383408 1067097963 /nfs/dbraw/zinc/09/79/63/1067097963.db2.gz XOUPRCNQJFCJFV-MXAYSNPKSA-N 0 0 514.332 4.934 40 30 KJEBRN NC(=S)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409383708 1067097206 /nfs/dbraw/zinc/09/72/06/1067097206.db2.gz BCLWUDWFXOPELA-AERZKKPOSA-N 0 0 606.054 4.949 40 30 KJEBRN NC(=S)N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409383887 1067097176 /nfs/dbraw/zinc/09/71/76/1067097176.db2.gz NKAAEXTUUFEALN-IFRROFPPSA-N 0 0 522.060 4.720 40 30 KJEBRN CCOc1cc(/C=N/NC(N)=S)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409384055 1067092910 /nfs/dbraw/zinc/09/29/10/1067092910.db2.gz YEFIPMJREULYES-GZIVZEMBSA-N 0 0 524.211 4.743 40 30 KJEBRN C=CCOc1c(I)cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000409384390 1067096769 /nfs/dbraw/zinc/09/67/69/1067096769.db2.gz CAOWBCYRRRAWSK-WOJGMQOQSA-N 0 0 569.373 4.871 40 30 KJEBRN C=CCOc1cc(Br)c(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000409384584 1067096926 /nfs/dbraw/zinc/09/69/26/1067096926.db2.gz DPVCQYBJTXCKIY-GIJQJNRQSA-N 0 0 508.346 4.639 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Cl ZINC000409384715 1067096740 /nfs/dbraw/zinc/09/67/40/1067096740.db2.gz DYBMODPRPZWEAX-NDENLUEZSA-N 0 0 501.391 4.627 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Br ZINC000409384914 1067096506 /nfs/dbraw/zinc/09/65/06/1067096506.db2.gz GBYSVLBMLRSFQP-CXUHLZMHSA-N 0 0 555.200 4.840 40 30 KJEBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)SC1=Nc1ccccc1 ZINC000409385038 1067096464 /nfs/dbraw/zinc/09/64/64/1067096464.db2.gz GSMPNZXUIZIWFD-MTTLQMSQSA-N 0 0 544.471 4.701 40 30 KJEBRN COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1F ZINC000409385052 1067096494 /nfs/dbraw/zinc/09/64/94/1067096494.db2.gz GXNBIHKGFJUGLJ-UHFFFAOYSA-N 0 0 504.558 4.895 40 30 KJEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409385223 1067095910 /nfs/dbraw/zinc/09/59/10/1067095910.db2.gz ICWJDWFQDUTUKF-JLPGSUDCSA-N 0 0 551.621 4.960 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409386092 1067095040 /nfs/dbraw/zinc/09/50/40/1067095040.db2.gz CTQQMLYLNPMDGA-BHUPMCRJSA-N 0 0 593.730 4.560 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409386093 1067095091 /nfs/dbraw/zinc/09/50/91/1067095091.db2.gz CTQQMLYLNPMDGA-HRDPAUATSA-N 0 0 593.730 4.560 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409386095 1067094958 /nfs/dbraw/zinc/09/49/58/1067094958.db2.gz CWRVIAPRFXMOEG-WPRNYWBVSA-N 0 0 612.107 4.500 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409386098 1067095028 /nfs/dbraw/zinc/09/50/28/1067095028.db2.gz CWRVIAPRFXMOEG-YRIXTDLASA-N 0 0 612.107 4.500 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)C1=O ZINC000409386127 1067095017 /nfs/dbraw/zinc/09/50/17/1067095017.db2.gz DAXCHYKOKHLONT-MIOXIQPJSA-N 0 0 574.706 4.900 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)C1=O ZINC000409386132 1067095190 /nfs/dbraw/zinc/09/51/90/1067095190.db2.gz DAXCHYKOKHLONT-WGGXKBPPSA-N 0 0 574.706 4.900 40 30 KJEBRN CCOC(=O)c1sc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2CC)c(C#N)c1C ZINC000409386728 1067094382 /nfs/dbraw/zinc/09/43/82/1067094382.db2.gz XBVWNHVUXFKSCS-UHFFFAOYSA-N 0 0 520.036 4.680 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(CCC)N=3)C1=O ZINC000409386773 1066366233 /nfs/dbraw/zinc/36/62/33/1066366233.db2.gz GIOQVTUBFPDQFO-RXDXAXPSSA-N 0 0 555.700 4.605 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(CCC)N=3)C1=O ZINC000409386778 1067094644 /nfs/dbraw/zinc/09/46/44/1067094644.db2.gz GIOQVTUBFPDQFO-XXASTYAFSA-N 0 0 555.700 4.605 40 30 KJEBRN COc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc2OC)cc1 ZINC000409387225 1067093674 /nfs/dbraw/zinc/09/36/74/1067093674.db2.gz OPCVTOPTNIFMLY-UHFFFAOYSA-N 0 0 503.551 4.849 40 30 KJEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1I ZINC000409387368 1067112074 /nfs/dbraw/zinc/11/20/74/1067112074.db2.gz WBGFIHQMOVIDLR-CXUHLZMHSA-N 0 0 649.200 4.524 40 30 KJEBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409387470 1067111272 /nfs/dbraw/zinc/11/12/72/1067111272.db2.gz QRQSHIXMTXZBED-FMCGGJTJSA-N 0 0 570.465 4.957 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409387665 1067111407 /nfs/dbraw/zinc/11/14/07/1067111407.db2.gz JIIWRNQAQLWLBN-ITXYEPDCSA-N 0 0 589.717 4.962 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409387671 1067111435 /nfs/dbraw/zinc/11/14/35/1067111435.db2.gz JIIWRNQAQLWLBN-MVDSDHGOSA-N 0 0 589.717 4.962 40 30 KJEBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)C2=O)o1 ZINC000409388476 1067109493 /nfs/dbraw/zinc/10/94/93/1067109493.db2.gz JRSJDQUPEOZFLS-FSJBWODESA-N 0 0 504.520 4.762 40 30 KJEBRN CCOC(=O)CN1c2ccccc2/C(=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)C1=O ZINC000409388528 1067110092 /nfs/dbraw/zinc/11/00/92/1067110092.db2.gz MCLSTYFADZRATR-QCWLDUFUSA-N 0 0 501.608 4.587 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(CCC)N=3)C1=O ZINC000409388677 1067109365 /nfs/dbraw/zinc/10/93/65/1067109365.db2.gz NDSNRIBYPVPMEF-IQKFOVTFSA-N 0 0 593.705 4.643 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(CCC)N=3)C1=O ZINC000409388680 1067109312 /nfs/dbraw/zinc/10/93/12/1067109312.db2.gz NDSNRIBYPVPMEF-SLPYKNDMSA-N 0 0 593.705 4.643 40 30 KJEBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409388744 1067108761 /nfs/dbraw/zinc/10/87/61/1067108761.db2.gz VYFDDXDQBDAOGJ-XKZIYDEJSA-N 0 0 508.669 4.955 40 30 KJEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br ZINC000409389408 1067107989 /nfs/dbraw/zinc/10/79/89/1067107989.db2.gz YQBGKSFBNOYXEQ-NDENLUEZSA-N 0 0 590.293 4.845 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409389755 1067107434 /nfs/dbraw/zinc/10/74/34/1067107434.db2.gz RUOVIMMCZLAHSV-IBPGUNFXSA-N 0 0 605.716 4.626 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409389757 1067107550 /nfs/dbraw/zinc/10/75/50/1067107550.db2.gz RUOVIMMCZLAHSV-OCAPFLRESA-N 0 0 605.716 4.626 40 30 KJEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000409389923 1067107486 /nfs/dbraw/zinc/10/74/86/1067107486.db2.gz QZDMMDGZUMBDFU-LICLKQGHSA-N 0 0 508.346 4.639 40 30 KJEBRN CCOC(=O)CN1c2ccccc2/C(=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)C1=O ZINC000409391047 1067106236 /nfs/dbraw/zinc/10/62/36/1067106236.db2.gz XPORPOLSSMFFQM-PWBFVMSASA-N 0 0 511.603 4.639 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409391362 1067106182 /nfs/dbraw/zinc/10/61/82/1067106182.db2.gz YILJQUJNFDIGKU-WPRNYWBVSA-N 0 0 656.558 4.610 40 30 KJEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409391365 1067106196 /nfs/dbraw/zinc/10/61/96/1067106196.db2.gz YILJQUJNFDIGKU-YRIXTDLASA-N 0 0 656.558 4.610 40 30 KJEBRN C#CCOc1c(Br)cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1Br ZINC000409394107 1067105511 /nfs/dbraw/zinc/10/55/11/1067105511.db2.gz VTRMHWKYTSEBQR-ZDLGFXPLSA-N 0 0 518.230 4.611 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409399179 1066367294 /nfs/dbraw/zinc/36/72/94/1066367294.db2.gz GGBYYARFHGLDLK-XKZIYDEJSA-N 0 0 520.513 4.614 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409399436 1067115699 /nfs/dbraw/zinc/11/56/99/1067115699.db2.gz IPISKCIPSVWRNF-XKZIYDEJSA-N 0 0 520.513 4.614 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCC(=O)Nc1ccccc1C ZINC000409399441 1067115695 /nfs/dbraw/zinc/11/56/95/1067115695.db2.gz ITQCZVYYMRSZCP-IWIPYMOSSA-N 0 0 573.602 4.612 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409399643 1066367797 /nfs/dbraw/zinc/36/77/97/1066367797.db2.gz KJWFHXUAPOIZLU-UCQKPKSFSA-N 0 0 561.547 4.774 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409400075 1067113375 /nfs/dbraw/zinc/11/33/75/1067113375.db2.gz OJNHKWYWIBUFOK-XKZIYDEJSA-N 0 0 520.513 4.614 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409400279 1067112575 /nfs/dbraw/zinc/11/25/75/1067112575.db2.gz NOBCPBIHNOSUOL-UCQKPKSFSA-N 0 0 561.547 4.774 40 30 KJEBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)o1 ZINC000409400354 1067112699 /nfs/dbraw/zinc/11/26/99/1067112699.db2.gz PBJNTKBGGNXCNU-JMIUGGIZSA-N 0 0 526.332 4.917 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409400364 1066368166 /nfs/dbraw/zinc/36/81/66/1066368166.db2.gz PIPLIUOWSTWOKC-IWIPYMOSSA-N 0 0 573.602 4.612 40 30 KJEBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409400498 1067112679 /nfs/dbraw/zinc/11/26/79/1067112679.db2.gz RYVGZOLBDJYJMO-NHDPSOOVSA-N 0 0 535.940 4.662 40 30 KJEBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OCc4ccccc4C#N)ccc4ccccc43)C2=O)o1 ZINC000409400595 1067112094 /nfs/dbraw/zinc/11/20/94/1067112094.db2.gz PRWWUJNOYBCYFJ-OYKKKHCWSA-N 0 0 507.502 4.763 40 30 KJEBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000409400785 1067128065 /nfs/dbraw/zinc/12/80/65/1067128065.db2.gz QYOZOYWCZKRBHH-NHDPSOOVSA-N 0 0 627.391 4.613 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409400817 1067128129 /nfs/dbraw/zinc/12/81/29/1067128129.db2.gz UNAOETFCGPEEDM-XKZIYDEJSA-N 0 0 579.993 4.567 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OCC ZINC000409400848 1067127406 /nfs/dbraw/zinc/12/74/06/1067127406.db2.gz BCWPATZFCWRVMJ-UHFFFAOYSA-N 0 0 597.409 4.891 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000409400884 1067127461 /nfs/dbraw/zinc/12/74/61/1067127461.db2.gz UVDFFHDUAMHUFX-UCQKPKSFSA-N 0 0 516.550 4.784 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409400972 1067128299 /nfs/dbraw/zinc/12/82/99/1067128299.db2.gz WSCNNSRLXIAYOK-UCQKPKSFSA-N 0 0 516.550 4.784 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1OC ZINC000409401206 1067126819 /nfs/dbraw/zinc/12/68/19/1067126819.db2.gz CPPKXGXMEYTGBN-UHFFFAOYSA-N 0 0 536.382 4.659 40 30 KJEBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000409401376 1067118338 /nfs/dbraw/zinc/11/83/38/1067118338.db2.gz XLVZNPBFTZKUEV-NHDPSOOVSA-N 0 0 580.391 4.771 40 30 KJEBRN CC(C)OC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC000409401597 1067126068 /nfs/dbraw/zinc/12/60/68/1067126068.db2.gz DLQBCGMVOCKUBY-UHFFFAOYSA-N 0 0 567.383 4.881 40 30 KJEBRN O=C(COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)N1CCOCC1 ZINC000409401610 1067126825 /nfs/dbraw/zinc/12/68/25/1067126825.db2.gz DNGKJRBVSCMJEU-UHFFFAOYSA-N 0 0 581.854 4.599 40 30 KJEBRN CC(=O)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409401639 1067126849 /nfs/dbraw/zinc/12/68/49/1067126849.db2.gz BOLUFSAYDHUCDQ-UHFFFAOYSA-N 0 0 507.300 4.542 40 30 KJEBRN O=C(COc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cccc1[N+](=O)[O-])Nc1ccccc1 ZINC000409401715 1067125976 /nfs/dbraw/zinc/12/59/76/1067125976.db2.gz BVMOHWGNYKPGMN-UHFFFAOYSA-N 0 0 519.517 4.871 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409401883 1066368489 /nfs/dbraw/zinc/36/84/89/1066368489.db2.gz FODBDNOXOMOMFC-KRWDZBQOSA-N 0 0 597.409 4.889 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409401886 1067125463 /nfs/dbraw/zinc/12/54/63/1067125463.db2.gz FODBDNOXOMOMFC-QGZVFWFLSA-N 0 0 597.409 4.889 40 30 KJEBRN C=CCOc1c(Cl)c(Br)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000409401919 1066368507 /nfs/dbraw/zinc/36/85/07/1066368507.db2.gz ULBVVVCRFSTPSF-ZROIWOOFSA-N 0 0 539.766 4.539 40 30 KJEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1OCC(=O)Nc1ccccc1 ZINC000409401990 1067125951 /nfs/dbraw/zinc/12/59/51/1067125951.db2.gz FWFIWPLSDDJQAB-UHFFFAOYSA-N 0 0 504.546 4.972 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409402126 1067125497 /nfs/dbraw/zinc/12/54/97/1067125497.db2.gz GLTXGYJANKSMKU-UHFFFAOYSA-N 0 0 536.382 4.659 40 30 KJEBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409402156 1067125501 /nfs/dbraw/zinc/12/55/01/1067125501.db2.gz VQZGNSDIQIFVDI-FBHDLOMBSA-N 0 0 580.391 4.771 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1OC ZINC000409402279 1067125477 /nfs/dbraw/zinc/12/54/77/1067125477.db2.gz HARYYJYISYGENR-KRWDZBQOSA-N 0 0 505.958 4.938 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1OC ZINC000409402283 1067125511 /nfs/dbraw/zinc/12/55/11/1067125511.db2.gz HARYYJYISYGENR-QGZVFWFLSA-N 0 0 505.958 4.938 40 30 KJEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Br)c(I)o1 ZINC000409402451 1067124699 /nfs/dbraw/zinc/12/46/99/1067124699.db2.gz FGNIEMQGCXJGIM-UHFFFAOYSA-N 0 0 520.124 4.906 40 30 KJEBRN C=CCOc1c(Br)c(Br)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000409402498 1067125515 /nfs/dbraw/zinc/12/55/15/1067125515.db2.gz VXLGXLIMKODHEG-ZROIWOOFSA-N 0 0 584.217 4.648 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000409402550 1067125519 /nfs/dbraw/zinc/12/55/19/1067125519.db2.gz WOOQRUXWWHVIMI-UUYOSTAYSA-N 0 0 560.559 4.594 40 30 KJEBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCc4ccccc4C#N)c(I)c3)C2=O)o1 ZINC000409402559 1067125495 /nfs/dbraw/zinc/12/54/95/1067125495.db2.gz WRUZOAANIUFYFA-JMIUGGIZSA-N 0 0 709.234 4.819 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCC(=O)OC(C)C ZINC000409402684 1066368699 /nfs/dbraw/zinc/36/86/99/1066368699.db2.gz IUGLTEMETJMJNM-UHFFFAOYSA-N 0 0 505.958 4.938 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCC(=O)N1CCOCC1 ZINC000409402743 1067124818 /nfs/dbraw/zinc/12/48/18/1067124818.db2.gz JEJDQARNABSBCQ-UHFFFAOYSA-N 0 0 656.331 4.717 40 30 KJEBRN C#CCOc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OCC ZINC000409402849 1067124706 /nfs/dbraw/zinc/12/47/06/1067124706.db2.gz JRJQNUSHVUBCGB-UHFFFAOYSA-N 0 0 549.368 4.961 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000409402886 1067124724 /nfs/dbraw/zinc/12/47/24/1067124724.db2.gz GMSUQYGJTRBELT-HNNXBMFYSA-N 0 0 551.353 4.557 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000409402887 1067124754 /nfs/dbraw/zinc/12/47/54/1067124754.db2.gz GMSUQYGJTRBELT-OAHLLOKOSA-N 0 0 551.353 4.557 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(=O)N1CCOCC1 ZINC000409402900 1067124761 /nfs/dbraw/zinc/12/47/61/1067124761.db2.gz GQQOZVKTJZSJGC-UHFFFAOYSA-N 0 0 625.907 4.998 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OC ZINC000409402949 1066369048 /nfs/dbraw/zinc/36/90/48/1066369048.db2.gz JWGKLJSUQZLHGV-UHFFFAOYSA-N 0 0 511.319 4.568 40 30 KJEBRN COC(=O)COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC000409403017 1067124792 /nfs/dbraw/zinc/12/47/92/1067124792.db2.gz KFOULDXJGKFJPW-UHFFFAOYSA-N 0 0 665.225 4.707 40 30 KJEBRN CC(=O)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000409403141 1067124772 /nfs/dbraw/zinc/12/47/72/1067124772.db2.gz GZIUHWZVCONUGV-UHFFFAOYSA-N 0 0 507.300 4.542 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000409403148 1067124806 /nfs/dbraw/zinc/12/48/06/1067124806.db2.gz YWBREOYQSZJKDH-OYKKKHCWSA-N 0 0 541.560 4.737 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409403211 1067124123 /nfs/dbraw/zinc/12/41/23/1067124123.db2.gz ZHAGSUXKQDINFN-HAHDFKILSA-N 0 0 516.550 4.865 40 30 KJEBRN COC(=O)COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409403274 1067124020 /nfs/dbraw/zinc/12/40/20/1067124020.db2.gz HOLRKEXEKYQWDD-UHFFFAOYSA-N 0 0 526.774 4.913 40 30 KJEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409403315 1067123540 /nfs/dbraw/zinc/12/35/40/1067123540.db2.gz ZLCQEYRYABOVFE-UCQKPKSFSA-N 0 0 594.020 4.957 40 30 KJEBRN COC(=O)COc1ccc(-n2c(C)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)c2C)cc1 ZINC000409403433 1067124007 /nfs/dbraw/zinc/12/40/07/1067124007.db2.gz LVLQUMAGVADYNL-UHFFFAOYSA-N 0 0 506.562 4.905 40 30 KJEBRN O=C(COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)N1CCOCC1 ZINC000409403454 1067124050 /nfs/dbraw/zinc/12/40/50/1067124050.db2.gz MABKYKXPTBZXGL-UHFFFAOYSA-N 0 0 626.305 4.708 40 30 KJEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000409403530 1067123594 /nfs/dbraw/zinc/12/35/94/1067123594.db2.gz IIOUUXCKWJXEMR-UHFFFAOYSA-N 0 0 519.517 4.871 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409403648 1067123563 /nfs/dbraw/zinc/12/35/63/1067123563.db2.gz ISHVRPBAJNAACZ-UHFFFAOYSA-N 0 0 538.476 4.958 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409403810 1067123599 /nfs/dbraw/zinc/12/35/99/1067123599.db2.gz MZTGVUMDLCBGQA-INIZCTEOSA-N 0 0 506.356 4.649 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409403813 1067123568 /nfs/dbraw/zinc/12/35/68/1067123568.db2.gz MZTGVUMDLCBGQA-MRXNPFEDSA-N 0 0 506.356 4.649 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCC(=O)Nc1ccccc1 ZINC000409403997 1067123017 /nfs/dbraw/zinc/12/30/17/1067123017.db2.gz OHCKVFWTCBOLMH-UHFFFAOYSA-N 0 0 504.546 4.972 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCC(=O)OC ZINC000409403998 1067123518 /nfs/dbraw/zinc/12/35/18/1067123518.db2.gz OHCMVUSEJOWFBL-UHFFFAOYSA-N 0 0 536.382 4.659 40 30 KJEBRN CCOc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409404155 1067122980 /nfs/dbraw/zinc/12/29/80/1067122980.db2.gz OIEIVJSDSOLIMB-UHFFFAOYSA-N 0 0 525.346 4.958 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O ZINC000409404213 1066369636 /nfs/dbraw/zinc/36/96/36/1066369636.db2.gz OQLAIZZOXXLWGN-UHFFFAOYSA-N 0 0 511.319 4.655 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O[C@@H](C)C(=O)OC ZINC000409404220 1067123037 /nfs/dbraw/zinc/12/30/37/1067123037.db2.gz OSDNFHDVXRWWQV-KRWDZBQOSA-N 0 0 597.409 4.889 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O[C@H](C)C(=O)OC ZINC000409404222 1067122916 /nfs/dbraw/zinc/12/29/16/1067122916.db2.gz OSDNFHDVXRWWQV-QGZVFWFLSA-N 0 0 597.409 4.889 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC000409404238 1067123006 /nfs/dbraw/zinc/12/30/06/1067123006.db2.gz OTTAFERHRMGTKP-UHFFFAOYSA-N 0 0 549.543 4.880 40 30 KJEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1OCC(=O)OC(C)C ZINC000409404364 1067122214 /nfs/dbraw/zinc/12/22/14/1067122214.db2.gz PMIFNIOUWFJVEU-UHFFFAOYSA-N 0 0 505.958 4.938 40 30 KJEBRN CC(C)OC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1[N+](=O)[O-] ZINC000409404405 1067122197 /nfs/dbraw/zinc/12/21/97/1067122197.db2.gz LABCFWORLISXSH-UHFFFAOYSA-N 0 0 520.929 4.838 40 30 KJEBRN CC(C)OC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409404413 1067122270 /nfs/dbraw/zinc/12/22/70/1067122270.db2.gz LCZAEEAPMYCHNW-UHFFFAOYSA-N 0 0 565.380 4.947 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1OC ZINC000409404516 1067122167 /nfs/dbraw/zinc/12/21/67/1067122167.db2.gz PQCFEBZKMGXJFA-INIZCTEOSA-N 0 0 536.382 4.657 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1OC ZINC000409404518 1067122226 /nfs/dbraw/zinc/12/22/26/1067122226.db2.gz PQCFEBZKMGXJFA-MRXNPFEDSA-N 0 0 536.382 4.657 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(=O)N1CCOCC1 ZINC000409404544 1067122244 /nfs/dbraw/zinc/12/22/44/1067122244.db2.gz PXHITQQLJWBKNI-UHFFFAOYSA-N 0 0 611.880 4.608 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OC ZINC000409404602 1067122233 /nfs/dbraw/zinc/12/22/33/1067122233.db2.gz QELCIGREVTZHKS-UHFFFAOYSA-N 0 0 525.346 4.958 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br ZINC000409404712 1067122178 /nfs/dbraw/zinc/12/21/78/1067122178.db2.gz QSGLBBWILKADSF-INIZCTEOSA-N 0 0 506.356 4.649 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br ZINC000409404715 1067122188 /nfs/dbraw/zinc/12/21/88/1067122188.db2.gz QSGLBBWILKADSF-MRXNPFEDSA-N 0 0 506.356 4.649 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCC#N ZINC000409405029 1067121743 /nfs/dbraw/zinc/12/17/43/1067121743.db2.gz SHXTZVHACUNBBI-UHFFFAOYSA-N 0 0 550.356 4.851 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCC(=O)OC ZINC000409405047 1066369587 /nfs/dbraw/zinc/36/95/87/1066369587.db2.gz SJSZNVGBBKFYIH-UHFFFAOYSA-N 0 0 536.382 4.659 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OC(C)=O ZINC000409405053 1067121724 /nfs/dbraw/zinc/12/17/24/1067121724.db2.gz SKLZUGUWDXNAEW-UHFFFAOYSA-N 0 0 553.356 4.874 40 30 KJEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC000409405239 1067121205 /nfs/dbraw/zinc/12/12/05/1067121205.db2.gz NRZFHWDFEBECIA-UHFFFAOYSA-N 0 0 508.450 4.949 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409405281 1067121734 /nfs/dbraw/zinc/12/17/34/1067121734.db2.gz SYRZBMIQQOAFOT-INIZCTEOSA-N 0 0 536.382 4.657 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409405283 1067121787 /nfs/dbraw/zinc/12/17/87/1067121787.db2.gz SYRZBMIQQOAFOT-MRXNPFEDSA-N 0 0 536.382 4.657 40 30 KJEBRN CCOC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br ZINC000409405331 1067121758 /nfs/dbraw/zinc/12/17/58/1067121758.db2.gz TZQBXHPQTHLTIM-UHFFFAOYSA-N 0 0 506.356 4.650 40 30 KJEBRN COC(=O)[C@H](C)Oc1cc(Br)c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409405349 1067121740 /nfs/dbraw/zinc/12/17/40/1067121740.db2.gz UDQPRIMELVHOBX-INIZCTEOSA-N 0 0 536.382 4.657 40 30 KJEBRN COC(=O)[C@@H](C)Oc1cc(Br)c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409405351 1067121809 /nfs/dbraw/zinc/12/18/09/1067121809.db2.gz UDQPRIMELVHOBX-MRXNPFEDSA-N 0 0 536.382 4.657 40 30 KJEBRN C#CCOc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409405391 1067121188 /nfs/dbraw/zinc/12/11/88/1067121188.db2.gz UKSJCRNOBHAXEI-UHFFFAOYSA-N 0 0 535.341 4.571 40 30 KJEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409405434 1066369651 /nfs/dbraw/zinc/36/96/51/1066369651.db2.gz UPOSVHKWNZOKDA-UHFFFAOYSA-N 0 0 561.642 4.591 40 30 KJEBRN O=C(COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1)N1CCOCC1 ZINC000409405482 1067121084 /nfs/dbraw/zinc/12/10/84/1067121084.db2.gz NYPRSZVPQVUOSH-UHFFFAOYSA-N 0 0 581.854 4.599 40 30 KJEBRN C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409405523 1067121100 /nfs/dbraw/zinc/12/11/00/1067121100.db2.gz HMSWZQVVNYSRDN-JLPGSUDCSA-N 0 0 531.996 4.946 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000409405567 1066369521 /nfs/dbraw/zinc/36/95/21/1066369521.db2.gz OMASPZYAHFINMI-INIZCTEOSA-N 0 0 565.380 4.947 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000409405569 1067121217 /nfs/dbraw/zinc/12/12/17/1067121217.db2.gz OMASPZYAHFINMI-MRXNPFEDSA-N 0 0 565.380 4.947 40 30 KJEBRN CCOC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000409405571 1067121113 /nfs/dbraw/zinc/12/11/13/1067121113.db2.gz ONIBVEVQXGSMMQ-UHFFFAOYSA-N 0 0 551.353 4.558 40 30 KJEBRN N#CCOc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409405654 1067120560 /nfs/dbraw/zinc/12/05/60/1067120560.db2.gz PAAMCMPPAQFAKW-UHFFFAOYSA-N 0 0 504.300 4.519 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409405672 1067120526 /nfs/dbraw/zinc/12/05/26/1067120526.db2.gz UZXBCMXNTLTNOV-UHFFFAOYSA-N 0 0 536.382 4.659 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC000409405776 1066369621 /nfs/dbraw/zinc/36/96/21/1066369621.db2.gz VHTIYQDSCHUJOC-KRWDZBQOSA-N 0 0 567.383 4.881 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC000409405778 1067120551 /nfs/dbraw/zinc/12/05/51/1067120551.db2.gz VHTIYQDSCHUJOC-QGZVFWFLSA-N 0 0 567.383 4.881 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCC(=O)OC ZINC000409405794 1067120363 /nfs/dbraw/zinc/12/03/63/1067120363.db2.gz VMECGWSMKFGHFW-UHFFFAOYSA-N 0 0 583.382 4.501 40 30 KJEBRN CCOC(=O)COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409405834 1067120467 /nfs/dbraw/zinc/12/04/67/1067120467.db2.gz VXSYWEOSQLHAIH-UHFFFAOYSA-N 0 0 583.382 4.501 40 30 KJEBRN COC(=O)COc1c(Cl)c(Br)c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409405847 1067120338 /nfs/dbraw/zinc/12/03/38/1067120338.db2.gz WBMKDVODAXVCFW-UHFFFAOYSA-N 0 0 556.800 4.922 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409405885 1067120407 /nfs/dbraw/zinc/12/04/07/1067120407.db2.gz PGGYLCZPVWHGTI-HNNXBMFYSA-N 0 0 551.353 4.557 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409405886 1067120459 /nfs/dbraw/zinc/12/04/59/1067120459.db2.gz PGGYLCZPVWHGTI-OAHLLOKOSA-N 0 0 551.353 4.557 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409405898 1067120431 /nfs/dbraw/zinc/12/04/31/1067120431.db2.gz PIQDVWDEQYTCPR-INIZCTEOSA-N 0 0 520.929 4.838 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409405901 1067120484 /nfs/dbraw/zinc/12/04/84/1067120484.db2.gz PIQDVWDEQYTCPR-MRXNPFEDSA-N 0 0 520.929 4.838 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(N)=O ZINC000409405985 1067120353 /nfs/dbraw/zinc/12/03/53/1067120353.db2.gz POGJZEUYBVSLGP-UHFFFAOYSA-N 0 0 555.816 4.624 40 30 KJEBRN CC(C)OC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000409406114 1066369604 /nfs/dbraw/zinc/36/96/04/1066369604.db2.gz PXQNKPHMOHDQAC-UHFFFAOYSA-N 0 0 565.380 4.947 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1O[C@@H](C)C(=O)OC ZINC000409406116 1067120450 /nfs/dbraw/zinc/12/04/50/1067120450.db2.gz WGNOTQBRDATXIS-KRWDZBQOSA-N 0 0 505.958 4.938 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1O[C@H](C)C(=O)OC ZINC000409406122 1066369697 /nfs/dbraw/zinc/36/96/97/1066369697.db2.gz WGNOTQBRDATXIS-QGZVFWFLSA-N 0 0 505.958 4.938 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OCC)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409406354 1067120013 /nfs/dbraw/zinc/12/00/13/1067120013.db2.gz QCQGAXFRBDPFTL-GOSISDBHSA-N 0 0 530.537 4.583 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OCC)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409406355 1067119978 /nfs/dbraw/zinc/11/99/78/1067119978.db2.gz QCQGAXFRBDPFTL-SFHVURJKSA-N 0 0 530.537 4.583 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1 ZINC000409406485 1067119970 /nfs/dbraw/zinc/11/99/70/1067119970.db2.gz QULPCNUOGDBIIJ-UHFFFAOYSA-N 0 0 534.572 4.980 40 30 KJEBRN CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(Br)c(Br)c1OCC(N)=O ZINC000409406535 1067119990 /nfs/dbraw/zinc/11/99/90/1067119990.db2.gz RAAGKJCHHJMRAU-UHFFFAOYSA-N 0 0 600.267 4.734 40 30 KJEBRN COC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br ZINC000409406628 1067120001 /nfs/dbraw/zinc/12/00/01/1067120001.db2.gz XYWJWXQTUHPIAK-UHFFFAOYSA-N 0 0 526.774 4.913 40 30 KJEBRN CCOC(=O)COc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409406654 1067119956 /nfs/dbraw/zinc/11/99/56/1067119956.db2.gz YBSNJQNLYCWNSR-UHFFFAOYSA-N 0 0 506.356 4.650 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OCC ZINC000409406670 1067120005 /nfs/dbraw/zinc/12/00/05/1067120005.db2.gz YDVPZPMVEVROQD-UHFFFAOYSA-N 0 0 505.958 4.940 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409406717 1067119618 /nfs/dbraw/zinc/11/96/18/1067119618.db2.gz YKPTZEYXLDZWCE-KRWDZBQOSA-N 0 0 505.958 4.938 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409406719 1067119652 /nfs/dbraw/zinc/11/96/52/1067119652.db2.gz YKPTZEYXLDZWCE-QGZVFWFLSA-N 0 0 505.958 4.938 40 30 KJEBRN O=C(Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000409406811 1067120028 /nfs/dbraw/zinc/12/00/28/1067120028.db2.gz CTPZFGSRGXCJKX-UHFFFAOYSA-N 0 0 535.472 4.981 40 30 KJEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCC(=O)OC(C)C ZINC000409407037 1067118689 /nfs/dbraw/zinc/11/86/89/1067118689.db2.gz ZJUXZRQAVQTJLD-UHFFFAOYSA-N 0 0 597.409 4.889 40 30 KJEBRN C#CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC000409407063 1067119700 /nfs/dbraw/zinc/11/97/00/1067119700.db2.gz ZMWNEHPENSVNOQ-UHFFFAOYSA-N 0 0 505.315 4.562 40 30 KJEBRN N#CCOc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000409407413 1067137721 /nfs/dbraw/zinc/13/77/21/1067137721.db2.gz UAMGSFGGSVPEJL-UHFFFAOYSA-N 0 0 504.300 4.519 40 30 KJEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409407426 1067137800 /nfs/dbraw/zinc/13/78/00/1067137800.db2.gz UASSYGONYZLQEM-UHFFFAOYSA-N 0 0 508.450 4.949 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1[N+](=O)[O-] ZINC000409407477 1067137733 /nfs/dbraw/zinc/13/77/33/1067137733.db2.gz UFGBTAARTBDSRT-INIZCTEOSA-N 0 0 520.929 4.838 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1[N+](=O)[O-] ZINC000409407479 1067137840 /nfs/dbraw/zinc/13/78/40/1067137840.db2.gz UFGBTAARTBDSRT-MRXNPFEDSA-N 0 0 520.929 4.838 40 30 KJEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC000409407608 1067137223 /nfs/dbraw/zinc/13/72/23/1067137223.db2.gz UVTQLFQQVBSDSP-UHFFFAOYSA-N 0 0 508.450 4.949 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409407897 1067137265 /nfs/dbraw/zinc/13/72/65/1067137265.db2.gz VYCGKWLVJFMYKK-UHFFFAOYSA-N 0 0 551.353 4.558 40 30 KJEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1)S(C)(=O)=O ZINC000409407961 1066370139 /nfs/dbraw/zinc/37/01/39/1066370139.db2.gz BEOFFIHUMFJIGT-UHFFFAOYSA-N 0 0 534.059 4.654 40 30 KJEBRN O=C(COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1)Nc1ccccc1 ZINC000409407972 1067137208 /nfs/dbraw/zinc/13/72/08/1067137208.db2.gz WHKFIUMMFBQHQM-UHFFFAOYSA-N 0 0 519.517 4.871 40 30 KJEBRN C#CCOc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409408045 1066370123 /nfs/dbraw/zinc/37/01/23/1066370123.db2.gz WOZBDRLKEPUSAJ-UHFFFAOYSA-N 0 0 503.312 4.628 40 30 KJEBRN C#CCOc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000409408214 1067136589 /nfs/dbraw/zinc/13/65/89/1067136589.db2.gz WXYDWEGNCPXUFR-UHFFFAOYSA-N 0 0 503.312 4.628 40 30 KJEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409408294 1067136662 /nfs/dbraw/zinc/13/66/62/1067136662.db2.gz XKPHJFMTUOIYLH-UHFFFAOYSA-N 0 0 530.537 4.583 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409408626 1067136050 /nfs/dbraw/zinc/13/60/50/1067136050.db2.gz YVTQYCLOEHNQIR-INIZCTEOSA-N 0 0 565.380 4.947 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409408628 1067136015 /nfs/dbraw/zinc/13/60/15/1067136015.db2.gz YVTQYCLOEHNQIR-MRXNPFEDSA-N 0 0 565.380 4.947 40 30 KJEBRN CC(C)OC(=O)COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409408636 1067136002 /nfs/dbraw/zinc/13/60/02/1067136002.db2.gz YWLVTNFGDLDZMR-UHFFFAOYSA-N 0 0 520.929 4.838 40 30 KJEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000409408716 1067135504 /nfs/dbraw/zinc/13/55/04/1067135504.db2.gz KZRHMSNYMQUNHT-UHFFFAOYSA-N 0 0 518.422 4.743 40 30 KJEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1)S(C)(=O)=O ZINC000409409456 1067134388 /nfs/dbraw/zinc/13/43/88/1067134388.db2.gz PBMPYRJUEJXLLE-UHFFFAOYSA-N 0 0 554.477 4.999 40 30 KJEBRN O=C(Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000409409746 1067134365 /nfs/dbraw/zinc/13/43/65/1067134365.db2.gz QSKAWTXNKGNHBU-UHFFFAOYSA-N 0 0 534.484 4.802 40 30 KJEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1)S(C)(=O)=O ZINC000409409897 1067133703 /nfs/dbraw/zinc/13/37/03/1067133703.db2.gz JVNLNQUYIBHENM-UHFFFAOYSA-N 0 0 554.477 4.999 40 30 KJEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1cc(Br)ccc1O ZINC000409412591 1066491522 /nfs/dbraw/zinc/49/15/22/1066491522.db2.gz YCOXBOLJUJFLPU-UHFFFAOYSA-N 0 0 518.462 4.976 40 30 KJEBRN Cc1nc(Nc2nc(C(=O)N(C)CCCOc3ccc(Cl)cc3)cs2)cc([C@H]2CCCN(CC#N)C2)n1 ZINC000585293213 1066392371 /nfs/dbraw/zinc/39/23/71/1066392371.db2.gz DOWLKRACSAYTSU-IBGZPJMESA-N 0 0 540.093 4.883 40 30 KJEBRN Cc1nc(Nc2nc(C(=O)N(C)CCCOc3ccc(Cl)cc3)cs2)cc([C@@H]2CCCN(CC#N)C2)n1 ZINC000585293215 1066391996 /nfs/dbraw/zinc/39/19/96/1066391996.db2.gz DOWLKRACSAYTSU-LJQANCHMSA-N 0 0 540.093 4.883 40 30 KJEBRN Cc1cc(Nc2nc(C(=O)N(C)CCCOc3ccc(Cl)cc3)cs2)nc([C@H]2CCCN(CC#N)C2)n1 ZINC000585294346 1066392137 /nfs/dbraw/zinc/39/21/37/1066392137.db2.gz QANSFJKOMJNZOG-IBGZPJMESA-N 0 0 540.093 4.883 40 30 KJEBRN Cc1cc(Nc2nc(C(=O)N(C)CCCOc3ccc(Cl)cc3)cs2)nc([C@@H]2CCCN(CC#N)C2)n1 ZINC000585294349 1066391911 /nfs/dbraw/zinc/39/19/11/1066391911.db2.gz QANSFJKOMJNZOG-LJQANCHMSA-N 0 0 540.093 4.883 40 30 KJEBRN Cc1nc(Nc2nc(C(=O)N(C)CCCOc3ccc(Cl)cc3)cs2)cc(C2CCN(CC#N)CC2)n1 ZINC000585294412 1066392029 /nfs/dbraw/zinc/39/20/29/1066392029.db2.gz QTWNWPNOEAMIMU-UHFFFAOYSA-N 0 0 540.093 4.883 40 30 KJEBRN C=CCOc1c(Br)cc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCCCCCC)NN32)cc1OCC ZINC000588225074 1066476444 /nfs/dbraw/zinc/47/64/44/1066476444.db2.gz MGZWURLRXXHHTC-RUZDIDTESA-N 0 0 571.541 4.869 40 30 KJEBRN C=CCOc1c(Br)cc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCCCCCC)NN32)cc1OCC ZINC000588225075 1066471783 /nfs/dbraw/zinc/47/17/83/1066471783.db2.gz MGZWURLRXXHHTC-VWLOTQADSA-N 0 0 571.541 4.869 40 30 KJEBRN C=CCOc1c(Br)cc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4F)NN32)cc1OCC ZINC000588225473 1066476398 /nfs/dbraw/zinc/47/63/98/1066476398.db2.gz LMXBXCHWAJJEJO-AREMUKBSSA-N 0 0 595.494 4.628 40 30 KJEBRN C=CCOc1c(Br)cc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4F)NN32)cc1OCC ZINC000588225474 1066476341 /nfs/dbraw/zinc/47/63/41/1066476341.db2.gz LMXBXCHWAJJEJO-SANMLTNESA-N 0 0 595.494 4.628 40 30 KJEBRN O=C1C=C([C@H]2Nc3ccccc3C3C(=O)N=C(SCc4ccccc4Cl)NN32)C=C(Br)C1=O ZINC000588226569 1066476312 /nfs/dbraw/zinc/47/63/12/1066476312.db2.gz XBCLSZGVKNHCBK-NRFANRHFSA-N 0 0 543.830 4.742 40 30 KJEBRN O=C1C=C([C@@H]2Nc3ccccc3C3C(=O)N=C(SCc4ccccc4Cl)NN32)C=C(Br)C1=O ZINC000588226570 1066476290 /nfs/dbraw/zinc/47/62/90/1066476290.db2.gz XBCLSZGVKNHCBK-OAQYLSRUSA-N 0 0 543.830 4.742 40 30 KJEBRN C[C@H](OC(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)On1nnc2cccc(O)c21 ZINC000644163764 1067139272 /nfs/dbraw/zinc/13/92/72/1067139272.db2.gz CJVWTSLEDHBWRL-RBWOYHBQSA-N 0 0 530.581 4.630 40 30 KJEBRN C[C@H](OC(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)On1nnc2cccc(O)c21 ZINC000644163765 1067139832 /nfs/dbraw/zinc/13/98/32/1067139832.db2.gz CJVWTSLEDHBWRL-ZCXSQJBPSA-N 0 0 530.581 4.630 40 30 KJEBRN CCCCOc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)ON2C(=O)CCC2=O)cc1 ZINC000644163800 1067140002 /nfs/dbraw/zinc/14/00/02/1067140002.db2.gz UKTLGTYFLJWNLA-MUUNZHRXSA-N 0 0 556.615 4.923 40 30 KJEBRN C=CCNc1c(O)cc2c(O)c1C[C@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)C=C(C)[C@@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)N2 ZINC001528997597 1067172046 /nfs/dbraw/zinc/17/20/46/1067172046.db2.gz OAKGNIRUXAZDQF-RNCDTLIRSA-N 0 0 587.714 4.570 40 30 KJEBRN CC(=O)Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531091872 1067172627 /nfs/dbraw/zinc/17/26/27/1067172627.db2.gz AIGSZGWAYJJBEW-VROXFSQNSA-N 0 0 521.755 4.826 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531091961 1067172620 /nfs/dbraw/zinc/17/26/20/1067172620.db2.gz GVCVUBCZUNIYDW-KKVYMNCZSA-N 0 0 610.259 4.950 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531091967 1067172567 /nfs/dbraw/zinc/17/25/67/1067172567.db2.gz GVCVUBCZUNIYDW-NPINNAPPSA-N 0 0 610.259 4.950 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Br)c1OCC(N)=O ZINC001531092113 1067172587 /nfs/dbraw/zinc/17/25/87/1067172587.db2.gz VUMLLWWQDLHDLC-WPDGFUPNSA-N 0 0 645.146 4.736 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCC#N ZINC001531093944 1067172598 /nfs/dbraw/zinc/17/25/98/1067172598.db2.gz BOHYOILQHGWCRT-ZRGSRPPYSA-N 0 0 503.784 4.903 40 30 KJEBRN COC(=O)COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br ZINC001531095963 1067172577 /nfs/dbraw/zinc/17/25/77/1067172577.db2.gz OBVZHCBXNSREDE-GATIEOLUSA-N 0 0 551.235 4.653 40 30 KJEBRN C#CCOc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC001531099592 1067173162 /nfs/dbraw/zinc/17/31/62/1067173162.db2.gz BCPZIMGRIKEIRH-ROTLSHHCSA-N 0 0 517.767 4.912 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1Oc1ccc([N+](=O)[O-])cn1 ZINC001531099625 1067173059 /nfs/dbraw/zinc/17/30/59/1067173059.db2.gz CXXHCQCPLKDMKL-RPPGKUMJSA-N 0 0 524.331 4.708 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531099675 1067173173 /nfs/dbraw/zinc/17/31/73/1067173173.db2.gz MMDXYQQGKWAXDT-MDFSBEDCSA-N 0 0 543.462 4.735 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531099676 1067173270 /nfs/dbraw/zinc/17/32/70/1067173270.db2.gz MMDXYQQGKWAXDT-YYABEBHCSA-N 0 0 543.462 4.735 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OC)c(OC)c1 ZINC001531099681 1067173277 /nfs/dbraw/zinc/17/32/77/1067173277.db2.gz QOSMUFGZQKDXNV-FOKLQQMPSA-N 0 0 556.198 4.616 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc(Br)c1OCC(=O)N1CCOCC1 ZINC001531099686 1067173250 /nfs/dbraw/zinc/17/32/50/1067173250.db2.gz SBMPPQASKUSMEU-DBFSUHOCSA-N 0 0 640.760 4.992 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OC(C)=O ZINC001531099690 1067173048 /nfs/dbraw/zinc/17/30/48/1067173048.db2.gz TVLPTESKUUEOIA-GATIEOLUSA-N 0 0 598.235 4.877 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC(=O)N1CCOCC1 ZINC001531099696 1067173150 /nfs/dbraw/zinc/17/31/50/1067173150.db2.gz XRIIHGBDGUOQNH-MNDYBZJGSA-N 0 0 697.368 4.580 40 30 KJEBRN C#CCOc1c(Br)cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc1OC ZINC001531100038 1067173067 /nfs/dbraw/zinc/17/30/67/1067173067.db2.gz ROQGNHIEDOSKDU-DHRITJCHSA-N 0 0 533.220 4.777 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC001531100047 1067173206 /nfs/dbraw/zinc/17/32/06/1067173206.db2.gz YUMSNBNFAPYZEZ-ASBHVJNYSA-N 0 0 545.390 4.577 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC001531100048 1067173098 /nfs/dbraw/zinc/17/30/98/1067173098.db2.gz YUMSNBNFAPYZEZ-CWYRIDLXSA-N 0 0 545.390 4.577 40 30 KJEBRN Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCC(N)=O)cc1 ZINC001531104912 1067173231 /nfs/dbraw/zinc/17/32/31/1067173231.db2.gz HBWDMQSKCHBBIV-CPDSRJINSA-N 0 0 550.457 4.610 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OC ZINC001531105008 1067173261 /nfs/dbraw/zinc/17/32/61/1067173261.db2.gz RRYIAMSQCSZCLZ-MYKKPKGFSA-N 0 0 570.225 4.961 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc(Br)c1OCC(N)=O ZINC001531105152 1067173109 /nfs/dbraw/zinc/17/31/09/1067173109.db2.gz VQSVJCSOPSLRGB-WMDMUMDLSA-N 0 0 570.669 4.619 40 30 KJEBRN C#CCOc1c(I)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531109881 1067173090 /nfs/dbraw/zinc/17/30/90/1067173090.db2.gz XPZVVIRAKYPQGX-ZMFRSBBQSA-N 0 0 594.247 4.964 40 30 KJEBRN CC(C)OC(=O)COc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC001531109952 1067173140 /nfs/dbraw/zinc/17/31/40/1067173140.db2.gz OAVZKLASMNFIOR-ZRGSRPPYSA-N 0 0 545.390 4.577 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)cc([N+](=O)[O-])c1OCC#N ZINC001531111859 1067173826 /nfs/dbraw/zinc/17/38/26/1067173826.db2.gz CZANHWFDNAGYQC-GATIEOLUSA-N 0 0 563.206 4.912 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC#N ZINC001531111860 1067173758 /nfs/dbraw/zinc/17/37/58/1067173758.db2.gz DAWITJCYXADEPL-ZMFRSBBQSA-N 0 0 528.363 4.548 40 30 KJEBRN CC(=O)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC001531111871 1067173831 /nfs/dbraw/zinc/17/38/31/1067173831.db2.gz IOLVHZXNFFAXNW-VROXFSQNSA-N 0 0 521.755 4.826 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC001531111877 1067173806 /nfs/dbraw/zinc/17/38/06/1067173806.db2.gz LJULBZBQHDXWSS-GATIEOLUSA-N 0 0 563.206 4.912 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531114748 1067173835 /nfs/dbraw/zinc/17/38/35/1067173835.db2.gz BYYXYKBNEYZFSZ-ASBHVJNYSA-N 0 0 545.390 4.577 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531114749 1067173801 /nfs/dbraw/zinc/17/38/01/1067173801.db2.gz BYYXYKBNEYZFSZ-CWYRIDLXSA-N 0 0 545.390 4.577 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OC ZINC001531114761 1067173747 /nfs/dbraw/zinc/17/37/47/1067173747.db2.gz IQOIIKPLVXPTHC-MSXFZWOLSA-N 0 0 503.353 4.654 40 30 KJEBRN COC(=O)COc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1OC ZINC001531114775 1067173781 /nfs/dbraw/zinc/17/37/81/1067173781.db2.gz PAJSCUUEEFBALO-RAWMCFOBSA-N 0 0 536.810 4.553 40 30 KJEBRN COc1cccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC(=O)OC(C)C ZINC001531114869 1067173776 /nfs/dbraw/zinc/17/37/76/1067173776.db2.gz ZAXXDKXSLOPRRK-WKIKZPBSSA-N 0 0 530.419 4.678 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531114880 1067173772 /nfs/dbraw/zinc/17/37/72/1067173772.db2.gz ZMBIGNAAMBFFEP-PPDIBHTLSA-N 0 0 550.837 4.943 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)c(Cl)c1OCC(N)=O ZINC001531115109 1067173751 /nfs/dbraw/zinc/17/37/51/1067173751.db2.gz GDWAJVRVUFTAQL-WPDGFUPNSA-N 0 0 600.695 4.627 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OC(C)C)c(OC)c1 ZINC001531117411 1067173788 /nfs/dbraw/zinc/17/37/88/1067173788.db2.gz UDWARSCUCMJWGH-KKMKTNMSSA-N 0 0 642.288 4.937 40 30 KJEBRN CC(=O)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC001531117421 1067173822 /nfs/dbraw/zinc/17/38/22/1067173822.db2.gz VSUIKUFNNOTGEQ-VROXFSQNSA-N 0 0 566.206 4.935 40 30 KJEBRN COC(=O)Cn1c(C)c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc21 ZINC001531122383 1067173829 /nfs/dbraw/zinc/17/38/29/1067173829.db2.gz JQYRJYUCOPQPCD-WKIKZPBSSA-N 0 0 509.404 4.775 40 30 KJEBRN CC(C)OC(=O)COc1ccccc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531122401 1067173816 /nfs/dbraw/zinc/17/38/16/1067173816.db2.gz KMYHTNAOBHUWHZ-ZMFRSBBQSA-N 0 0 500.393 4.669 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCC(=O)OC ZINC001531122633 1067173838 /nfs/dbraw/zinc/17/38/38/1067173838.db2.gz YQNGOTVBDMRZLI-PPDIBHTLSA-N 0 0 550.837 4.943 40 30 KJEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531123890 1067173841 /nfs/dbraw/zinc/17/38/41/1067173841.db2.gz DFVPMDRPXUTJED-DICXZTSXSA-N 0 0 513.436 4.956 40 30 KJEBRN CCOC(=O)COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC001531123987 1067174230 /nfs/dbraw/zinc/17/42/30/1067174230.db2.gz ZBWZABMHTQWQLU-ZRGSRPPYSA-N 0 0 612.262 4.885 40 30 KJEBRN CCOc1c(OC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531124436 1067174108 /nfs/dbraw/zinc/17/41/08/1067174108.db2.gz OYZNMTSMSMXTEV-MSXFZWOLSA-N 0 0 503.353 4.654 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531128343 1067174242 /nfs/dbraw/zinc/17/42/42/1067174242.db2.gz CDJWYSSAOFTYFL-RAWMCFOBSA-N 0 0 565.808 4.842 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCC(N)=O)c(Cl)c1 ZINC001531128399 1067174168 /nfs/dbraw/zinc/17/41/68/1067174168.db2.gz JOGFZYZFQFVSLW-WMDMUMDLSA-N 0 0 526.218 4.510 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCC#N)c(I)c1 ZINC001531131339 1067174153 /nfs/dbraw/zinc/17/41/53/1067174153.db2.gz FXOSRTTWNSAMKZ-ROTLSHHCSA-N 0 0 565.209 4.846 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531131343 1067174199 /nfs/dbraw/zinc/17/41/99/1067174199.db2.gz KIGCYOUNQCBPFL-SUZBBLJPSA-N 0 0 628.261 4.547 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531131344 1067174141 /nfs/dbraw/zinc/17/41/41/1067174141.db2.gz KIGCYOUNQCBPFL-UQJRAWQTSA-N 0 0 628.261 4.547 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531131357 1067174160 /nfs/dbraw/zinc/17/41/60/1067174160.db2.gz PXLOFBVFTRXWBC-RAWMCFOBSA-N 0 0 610.259 4.951 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O ZINC001531131599 1067174177 /nfs/dbraw/zinc/17/41/77/1067174177.db2.gz OPYTWPKNMYSABM-RMORIDSASA-N 0 0 509.198 4.815 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC001531134552 1067174214 /nfs/dbraw/zinc/17/42/14/1067174214.db2.gz MIZOBWBZLRGPHA-HXGLEVQOSA-N 0 0 612.262 4.884 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC001531134554 1067174273 /nfs/dbraw/zinc/17/42/73/1067174273.db2.gz MIZOBWBZLRGPHA-OFAQJKEFSA-N 0 0 612.262 4.884 40 30 KJEBRN CCOC(=O)COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OCC ZINC001531135952 1067174949 /nfs/dbraw/zinc/17/49/49/1067174949.db2.gz AYEQWHGHIRKVKM-VYYCAZPPSA-N 0 0 530.419 4.679 40 30 KJEBRN COC(=O)COc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1OC ZINC001531135997 1067174956 /nfs/dbraw/zinc/17/49/56/1067174956.db2.gz IKPWDYNKDOWVEM-RAWMCFOBSA-N 0 0 581.261 4.662 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCC#N)c([N+](=O)[O-])c1 ZINC001531136008 1067174899 /nfs/dbraw/zinc/17/48/99/1067174899.db2.gz KYJOXEIBMRODGP-GATIEOLUSA-N 0 0 518.755 4.803 40 30 KJEBRN C#CCOc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC001531136048 1067174957 /nfs/dbraw/zinc/17/49/57/1067174957.db2.gz QHRGZHUCCNGIMB-MXAYSNPKSA-N 0 0 564.221 4.955 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531138485 1067174919 /nfs/dbraw/zinc/17/49/19/1067174919.db2.gz CECGKLSOIOGSOH-ASBHVJNYSA-N 0 0 545.390 4.577 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531138494 1067174947 /nfs/dbraw/zinc/17/49/47/1067174947.db2.gz CECGKLSOIOGSOH-CWYRIDLXSA-N 0 0 545.390 4.577 40 30 KJEBRN C=CCc1cc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC#N ZINC001531139214 1067174906 /nfs/dbraw/zinc/17/49/06/1067174906.db2.gz WMNRUQGJNWANNI-MBTHVWNTSA-N 0 0 509.404 4.978 40 30 KJEBRN C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC001531142601 1067174936 /nfs/dbraw/zinc/17/49/36/1067174936.db2.gz GRDCGPQVXDUTQO-CAQPMQTCSA-N 0 0 611.537 4.704 40 30 KJEBRN CC(=O)Oc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531142609 1067174926 /nfs/dbraw/zinc/17/49/26/1067174926.db2.gz HDEJMXCEYKLELX-VROXFSQNSA-N 0 0 566.206 4.935 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531146986 1067174869 /nfs/dbraw/zinc/17/48/69/1067174869.db2.gz QUKQMJNVRSQYJW-PPDIBHTLSA-N 0 0 642.288 4.894 40 30 KJEBRN COC(=O)COc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531149790 1067174935 /nfs/dbraw/zinc/17/49/35/1067174935.db2.gz OLZFYGUUAWKCGV-RAWMCFOBSA-N 0 0 536.810 4.553 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OC(C)=O ZINC001531149827 1067174929 /nfs/dbraw/zinc/17/49/29/1067174929.db2.gz VZTNQWHFINEEKT-ROTLSHHCSA-N 0 0 531.363 4.571 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC001531155953 1067174891 /nfs/dbraw/zinc/17/48/91/1067174891.db2.gz CUOPUNQNVDHVPZ-WMDMUMDLSA-N 0 0 570.669 4.619 40 30 KJEBRN COC(=O)COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl ZINC001531155956 1067174960 /nfs/dbraw/zinc/17/49/60/1067174960.db2.gz DUCLJYZTYVZHMB-GATIEOLUSA-N 0 0 506.784 4.544 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1 ZINC001531157081 1067174914 /nfs/dbraw/zinc/17/49/14/1067174914.db2.gz QTVXYAZIWSZWLL-OPAMSOAESA-N 0 0 500.393 4.669 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1 ZINC001531157082 1067175433 /nfs/dbraw/zinc/17/54/33/1067175433.db2.gz QTVXYAZIWSZWLL-ZASWBZMTSA-N 0 0 500.393 4.669 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC001531157088 1067175444 /nfs/dbraw/zinc/17/54/44/1067175444.db2.gz SRVYMILEQHCFDJ-PPDIBHTLSA-N 0 0 575.416 4.586 40 30 KJEBRN COC(=O)COc1cc(Br)c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531157498 1067175349 /nfs/dbraw/zinc/17/53/49/1067175349.db2.gz YSHAIWYUJHNUFG-RAWMCFOBSA-N 0 0 581.261 4.662 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C ZINC001531161959 1067175392 /nfs/dbraw/zinc/17/53/92/1067175392.db2.gz NRRQQSVSPXDVSX-WKULSOCRSA-N 0 0 549.425 4.938 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC001531161983 1067175494 /nfs/dbraw/zinc/17/54/94/1067175494.db2.gz LDEKFAMDBUTFNN-OPAMSOAESA-N 0 0 500.393 4.669 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC001531161986 1067175369 /nfs/dbraw/zinc/17/53/69/1067175369.db2.gz LDEKFAMDBUTFNN-ZASWBZMTSA-N 0 0 500.393 4.669 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O ZINC001531162038 1067175458 /nfs/dbraw/zinc/17/54/58/1067175458.db2.gz OYVYDYQBHRVGHI-RMORIDSASA-N 0 0 509.198 4.815 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(I)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531162069 1067175518 /nfs/dbraw/zinc/17/55/18/1067175518.db2.gz YTJVCPHDDTWKSG-JELCJJKJSA-N 0 0 642.288 4.892 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(I)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531162070 1067175473 /nfs/dbraw/zinc/17/54/73/1067175473.db2.gz YTJVCPHDDTWKSG-OXDZLNHXSA-N 0 0 642.288 4.892 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(Cl)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531162076 1067175376 /nfs/dbraw/zinc/17/53/76/1067175376.db2.gz ZYDGBNYBOFWXRA-HXGLEVQOSA-N 0 0 520.811 4.932 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(Cl)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531162077 1067175451 /nfs/dbraw/zinc/17/54/51/1067175451.db2.gz ZYDGBNYBOFWXRA-OFAQJKEFSA-N 0 0 520.811 4.932 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCC(=O)OC(C)C ZINC001531163035 1067175502 /nfs/dbraw/zinc/17/55/02/1067175502.db2.gz HZPZVYDFTZYGBI-WKIKZPBSSA-N 0 0 530.419 4.678 40 30 KJEBRN Cc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC001531163134 1067175398 /nfs/dbraw/zinc/17/53/98/1067175398.db2.gz NONMVOIYRFZYSB-OHUYPAJKSA-N 0 0 620.548 4.984 40 30 KJEBRN COC(=O)COc1ccc(Br)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531163177 1067175483 /nfs/dbraw/zinc/17/54/83/1067175483.db2.gz POUNCDVYKRXOBX-GATIEOLUSA-N 0 0 551.235 4.653 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1OC ZINC001531163190 1067175430 /nfs/dbraw/zinc/17/54/30/1067175430.db2.gz PVQHLUSEEIUEKQ-JIAMHWFNSA-N 0 0 530.419 4.678 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1OC ZINC001531163196 1067176093 /nfs/dbraw/zinc/17/60/93/1067176093.db2.gz PVQHLUSEEIUEKQ-NODVXYSWSA-N 0 0 530.419 4.678 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC(=O)OC ZINC001531163276 1067176099 /nfs/dbraw/zinc/17/60/99/1067176099.db2.gz SXEYQCCRDGUYMG-PPDIBHTLSA-N 0 0 642.288 4.894 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OC(C)=O ZINC001531163300 1067176016 /nfs/dbraw/zinc/17/60/16/1067176016.db2.gz UXHNJWRJLATNFM-GATIEOLUSA-N 0 0 506.784 4.926 40 30 KJEBRN C=CCOc1c(OC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531169508 1067176074 /nfs/dbraw/zinc/17/60/74/1067176074.db2.gz QFLPQEIDZCCCCK-WGARJPEWSA-N 0 0 500.393 4.921 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531169775 1067176063 /nfs/dbraw/zinc/17/60/63/1067176063.db2.gz BYRCLBQHTSESAH-RKFIUVANSA-N 0 0 575.416 4.586 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531169776 1067176105 /nfs/dbraw/zinc/17/61/05/1067176105.db2.gz BYRCLBQHTSESAH-ZFBNKNOKSA-N 0 0 575.416 4.586 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC001531169784 1067176011 /nfs/dbraw/zinc/17/60/11/1067176011.db2.gz CXQOWAAWWWBYJY-QDTIIGTASA-N 0 0 589.443 4.976 40 30 KJEBRN CC(C)OC(=O)COc1cccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1 ZINC001531169785 1067176045 /nfs/dbraw/zinc/17/60/45/1067176045.db2.gz DODGVONHRAVOJF-ZMFRSBBQSA-N 0 0 500.393 4.669 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O ZINC001531169790 1067175993 /nfs/dbraw/zinc/17/59/93/1067175993.db2.gz GOJAHFIPAKDGDB-RMORIDSASA-N 0 0 556.198 4.658 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCC(=O)OC(C)C ZINC001531169814 1067176057 /nfs/dbraw/zinc/17/60/57/1067176057.db2.gz XKOWFZLNBXAXNK-QDTIIGTASA-N 0 0 560.445 4.686 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OCC)c(OC)c1 ZINC001531170395 1067176039 /nfs/dbraw/zinc/17/60/39/1067176039.db2.gz QTEDJHRBVILLJP-RPPGKUMJSA-N 0 0 628.261 4.549 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1O[C@@H](C)C(=O)OC ZINC001531170418 1067175985 /nfs/dbraw/zinc/17/59/85/1067175985.db2.gz WDYHWHAVULXHHX-JIAMHWFNSA-N 0 0 530.419 4.678 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1O[C@H](C)C(=O)OC ZINC001531170421 1067176068 /nfs/dbraw/zinc/17/60/68/1067176068.db2.gz WDYHWHAVULXHHX-NODVXYSWSA-N 0 0 530.419 4.678 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531170436 1067176090 /nfs/dbraw/zinc/17/60/90/1067176090.db2.gz ZEIJIIZXPIPLAW-SUZBBLJPSA-N 0 0 581.261 4.705 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531170438 1067176051 /nfs/dbraw/zinc/17/60/51/1067176051.db2.gz ZEIJIIZXPIPLAW-UQJRAWQTSA-N 0 0 581.261 4.705 40 30 KJEBRN COc1cc(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OC(C)=O ZINC001531173897 1067176029 /nfs/dbraw/zinc/17/60/29/1067176029.db2.gz ICSITFWJTBXSBH-GATIEOLUSA-N 0 0 506.784 4.926 40 30 KJEBRN CCOC(=O)COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl ZINC001531173899 1067176000 /nfs/dbraw/zinc/17/60/00/1067176000.db2.gz ITWUFFMAIKLGJQ-ZRGSRPPYSA-N 0 0 520.811 4.934 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531173909 1067176021 /nfs/dbraw/zinc/17/60/21/1067176021.db2.gz NMQNZWWOOWBXRZ-KKVYMNCZSA-N 0 0 565.808 4.841 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531173910 1067176033 /nfs/dbraw/zinc/17/60/33/1067176033.db2.gz NMQNZWWOOWBXRZ-NPINNAPPSA-N 0 0 565.808 4.841 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC001531180290 1067176735 /nfs/dbraw/zinc/17/67/35/1067176735.db2.gz UTLWFMJLOSWKHI-KKVYMNCZSA-N 0 0 565.808 4.841 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC001531180291 1067176663 /nfs/dbraw/zinc/17/66/63/1067176663.db2.gz UTLWFMJLOSWKHI-NPINNAPPSA-N 0 0 565.808 4.841 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531180302 1067176643 /nfs/dbraw/zinc/17/66/43/1067176643.db2.gz YKWWARLSYHRHLN-FINFLEPTSA-N 0 0 589.443 4.976 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531180303 1067176757 /nfs/dbraw/zinc/17/67/57/1067176757.db2.gz YKWWARLSYHRHLN-JFWRLORLSA-N 0 0 589.443 4.976 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC001531180543 1067176692 /nfs/dbraw/zinc/17/66/92/1067176692.db2.gz RUHBVRWYIJLVKO-DBFSUHOCSA-N 0 0 596.309 4.883 40 30 KJEBRN C#CCOc1c(OCC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531186223 1067176546 /nfs/dbraw/zinc/17/65/46/1067176546.db2.gz BPNKAIQXCDVSRV-WGARJPEWSA-N 0 0 527.375 4.658 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OC)c(OC)c1 ZINC001531186234 1067176625 /nfs/dbraw/zinc/17/66/25/1067176625.db2.gz HVEKEELRFPALLH-FOKLQQMPSA-N 0 0 509.198 4.773 40 30 KJEBRN COC(=O)COc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC001531186240 1067176492 /nfs/dbraw/zinc/17/64/92/1067176492.db2.gz KEBXUHWCYXYQTN-MRUKODCESA-N 0 0 596.232 4.561 40 30 KJEBRN COc1cc(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC#N ZINC001531186324 1067176539 /nfs/dbraw/zinc/17/65/39/1067176539.db2.gz TVVDDALQGKRSAZ-ZRGSRPPYSA-N 0 0 503.784 4.903 40 30 KJEBRN CC(C)OC(=O)COc1ccc([N+](=O)[O-])cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531186348 1067176741 /nfs/dbraw/zinc/17/67/41/1067176741.db2.gz UXJQTOZVQGGPPI-ZRGSRPPYSA-N 0 0 545.390 4.577 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531186471 1067176725 /nfs/dbraw/zinc/17/67/25/1067176725.db2.gz ANJLSXFVYNJGQX-SUZBBLJPSA-N 0 0 536.810 4.596 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531186472 1067176682 /nfs/dbraw/zinc/17/66/82/1067176682.db2.gz ANJLSXFVYNJGQX-UQJRAWQTSA-N 0 0 536.810 4.596 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(I)cc1 ZINC001531186473 1067176525 /nfs/dbraw/zinc/17/65/25/1067176525.db2.gz ATMABBILTRLMKG-JJFYIABZSA-N 0 0 510.173 4.943 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc2c(cc1Br)OCO2 ZINC001531186489 1067177210 /nfs/dbraw/zinc/17/72/10/1067177210.db2.gz JYBXIMHOKSDCMD-AQHIEDMUSA-N 0 0 507.182 4.830 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531186507 1067177252 /nfs/dbraw/zinc/17/72/52/1067177252.db2.gz VJVKARACMVFDQN-FINFLEPTSA-N 0 0 560.445 4.686 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531186508 1067177112 /nfs/dbraw/zinc/17/71/12/1067177112.db2.gz VJVKARACMVFDQN-JFWRLORLSA-N 0 0 560.445 4.686 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OCC)c(OC)c1 ZINC001531186510 1067177226 /nfs/dbraw/zinc/17/72/26/1067177226.db2.gz VZULFQZBVCGMSI-RPPGKUMJSA-N 0 0 581.261 4.707 40 30 KJEBRN CCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1F ZINC001531188349 1067177147 /nfs/dbraw/zinc/17/71/47/1067177147.db2.gz MLZVUQITYVGUSH-IPPBACCNSA-N 0 0 553.388 4.769 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCC(=O)N2CCOCC2)c(Br)c1 ZINC001531188351 1067177263 /nfs/dbraw/zinc/17/72/63/1067177263.db2.gz MQXHWTSZBAGNNO-DBFSUHOCSA-N 0 0 640.760 4.992 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC001531188377 1067177259 /nfs/dbraw/zinc/17/72/59/1067177259.db2.gz OYCMCTUJUPJKBF-RKFIUVANSA-N 0 0 575.416 4.586 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC001531188380 1067177243 /nfs/dbraw/zinc/17/72/43/1067177243.db2.gz OYCMCTUJUPJKBF-ZFBNKNOKSA-N 0 0 575.416 4.586 40 30 KJEBRN C=CCOc1c(OC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531192176 1067177193 /nfs/dbraw/zinc/17/71/93/1067177193.db2.gz KVIZVJYGKVRLJD-MXAYSNPKSA-N 0 0 515.364 4.820 40 30 KJEBRN CC(C)OC(=O)COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC001531192263 1067177142 /nfs/dbraw/zinc/17/71/42/1067177142.db2.gz WYQAKWJFOICLFO-ZMFRSBBQSA-N 0 0 500.393 4.669 40 30 KJEBRN CC(=O)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC001531192335 1067177180 /nfs/dbraw/zinc/17/71/80/1067177180.db2.gz ACGCTLNCNPDMEP-MYKKPKGFSA-N 0 0 568.209 4.869 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1OCC#N ZINC001531195438 1067177234 /nfs/dbraw/zinc/17/72/34/1067177234.db2.gz NOFZLQBWNBZUEB-GATIEOLUSA-N 0 0 518.755 4.803 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC001531195512 1067177128 /nfs/dbraw/zinc/17/71/28/1067177128.db2.gz WSIYHVFCNVOKRV-MNDYBZJGSA-N 0 0 605.917 4.628 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531197202 1067177270 /nfs/dbraw/zinc/17/72/70/1067177270.db2.gz GRBYGQAZTCJNAT-JIAMHWFNSA-N 0 0 530.419 4.678 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531197206 1067177187 /nfs/dbraw/zinc/17/71/87/1067177187.db2.gz GRBYGQAZTCJNAT-NODVXYSWSA-N 0 0 530.419 4.678 40 30 KJEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC#N ZINC001531197242 1067177139 /nfs/dbraw/zinc/17/71/39/1067177139.db2.gz KDUWRZADMKKRRB-ZRGSRPPYSA-N 0 0 595.235 4.854 40 30 KJEBRN C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCC(=O)OC ZINC001531197268 1067177203 /nfs/dbraw/zinc/17/72/03/1067177203.db2.gz NJPQUCQIKIKDEW-MUXKCCDJSA-N 0 0 542.430 4.628 40 30 KJEBRN CC(C)OC(=O)COc1cc(N(C)C)ccc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531197284 1067177161 /nfs/dbraw/zinc/17/71/61/1067177161.db2.gz RVLWVSWYGHCKNV-MUXKCCDJSA-N 0 0 543.462 4.735 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)OCC)c(OC)c1 ZINC001531197350 1067177219 /nfs/dbraw/zinc/17/72/19/1067177219.db2.gz ZWWQVDKSPBAQTJ-HWDKICEFSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)OCC)c(OC)c1 ZINC001531197353 1067177648 /nfs/dbraw/zinc/17/76/48/1067177648.db2.gz ZWWQVDKSPBAQTJ-ZKJHFGPLSA-N 0 0 550.837 4.986 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(I)c(OCC(=O)N2CCOCC2)c(I)c1 ZINC001531197978 1067177688 /nfs/dbraw/zinc/17/76/88/1067177688.db2.gz KYWUQDQPDARSKL-DBFSUHOCSA-N 0 0 779.211 4.786 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC(C)C)c(OC)c1 ZINC001531197992 1067177755 /nfs/dbraw/zinc/17/77/55/1067177755.db2.gz QSYLFXPIYTZJBD-KKMKTNMSSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)OCC)c(OC)c1 ZINC001531202074 1067177720 /nfs/dbraw/zinc/17/77/20/1067177720.db2.gz UEZQZBUKJJHCHH-HWDKICEFSA-N 0 0 642.288 4.937 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)OCC)c(OC)c1 ZINC001531202076 1067177810 /nfs/dbraw/zinc/17/78/10/1067177810.db2.gz UEZQZBUKJJHCHH-ZKJHFGPLSA-N 0 0 642.288 4.937 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC001531202178 1067177772 /nfs/dbraw/zinc/17/77/72/1067177772.db2.gz YZLKDVYKGSCETJ-LJUMEUDFSA-N 0 0 577.479 4.730 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccccc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531203695 1067177766 /nfs/dbraw/zinc/17/77/66/1067177766.db2.gz HOVBWWSGZNRSIR-OPAMSOAESA-N 0 0 500.393 4.669 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccccc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531203696 1067177680 /nfs/dbraw/zinc/17/76/80/1067177680.db2.gz HOVBWWSGZNRSIR-ZASWBZMTSA-N 0 0 500.393 4.669 40 30 KJEBRN CC(C)OC(=O)COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531203740 1067177627 /nfs/dbraw/zinc/17/76/27/1067177627.db2.gz MVQDMXWAKBGEBE-ZRGSRPPYSA-N 0 0 545.390 4.577 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC#N)c(OC)c1 ZINC001531203883 1067177745 /nfs/dbraw/zinc/17/77/45/1067177745.db2.gz YPEJGQGPKWJDLK-BRJLIKDPSA-N 0 0 534.208 4.667 40 30 KJEBRN COC(=O)COc1ccc(Cl)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531203888 1067177825 /nfs/dbraw/zinc/17/78/25/1067177825.db2.gz ZEYUANFVFRHLEW-GATIEOLUSA-N 0 0 506.784 4.544 40 30 KJEBRN CCOC(=O)Cn1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc21 ZINC001531205261 1067177779 /nfs/dbraw/zinc/17/77/79/1067177779.db2.gz HBPASPISVKKPCB-WKIKZPBSSA-N 0 0 509.404 4.857 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OC(C)=O)c(OC)c1 ZINC001531205266 1067177792 /nfs/dbraw/zinc/17/77/92/1067177792.db2.gz HHUKDNKSRPRTLC-BHGWPJFGSA-N 0 0 584.208 4.532 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OC(C)=O)c(OC)c1 ZINC001531205390 1067177664 /nfs/dbraw/zinc/17/76/64/1067177664.db2.gz RNIFCEXVUFVHJW-BHGWPJFGSA-N 0 0 537.208 4.690 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCC(=O)N1CCOCC1 ZINC001531205425 1067177798 /nfs/dbraw/zinc/17/77/98/1067177798.db2.gz WVAHRVZXEIICRI-MNDYBZJGSA-N 0 0 650.368 4.738 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC001531208189 1067177815 /nfs/dbraw/zinc/17/78/15/1067177815.db2.gz OMSJRZSGIIXKCD-KKVYMNCZSA-N 0 0 610.259 4.950 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC001531208190 1067178329 /nfs/dbraw/zinc/17/83/29/1067178329.db2.gz OMSJRZSGIIXKCD-NPINNAPPSA-N 0 0 610.259 4.950 40 30 KJEBRN COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I ZINC001531208193 1067178315 /nfs/dbraw/zinc/17/83/15/1067178315.db2.gz QBLGWGUSJIISOV-KSEXSDGBSA-N 0 0 540.199 4.952 40 30 KJEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCC(=O)N1CCOCC1 ZINC001531209815 1067178273 /nfs/dbraw/zinc/17/82/73/1067178273.db2.gz AXXDABQBCZJNES-MNDYBZJGSA-N 0 0 650.368 4.738 40 30 KJEBRN CCOC(=O)COc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC001531209822 1067178296 /nfs/dbraw/zinc/17/82/96/1067178296.db2.gz GWXZJWGIASQOJN-RAWMCFOBSA-N 0 0 610.259 4.951 40 30 KJEBRN COC(=O)COc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531209973 1067178308 /nfs/dbraw/zinc/17/83/08/1067178308.db2.gz IHRZFLHOFVPZEB-RAWMCFOBSA-N 0 0 581.261 4.662 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531209977 1067178339 /nfs/dbraw/zinc/17/83/39/1067178339.db2.gz IJMNBPABRNMPSC-JELCJJKJSA-N 0 0 550.837 4.941 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531209982 1067178244 /nfs/dbraw/zinc/17/82/44/1067178244.db2.gz IJMNBPABRNMPSC-OXDZLNHXSA-N 0 0 550.837 4.941 40 30 KJEBRN C#CCOc1c(I)cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc1OC ZINC001531210036 1067178287 /nfs/dbraw/zinc/17/82/87/1067178287.db2.gz MIRRPERXJSCCBC-DHRITJCHSA-N 0 0 580.220 4.619 40 30 KJEBRN CCOC(=O)COc1c(OCC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531210053 1067178325 /nfs/dbraw/zinc/17/83/25/1067178325.db2.gz XADHQMKHRAAZCT-WKIKZPBSSA-N 0 0 575.416 4.588 40 30 KJEBRN COc1cc(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O ZINC001531210057 1067178321 /nfs/dbraw/zinc/17/83/21/1067178321.db2.gz XNVBKPFSRPDXEZ-RMORIDSASA-N 0 0 509.198 4.815 40 30 KJEBRN CCOC(=O)COc1ccc(Cl)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531210110 1067178291 /nfs/dbraw/zinc/17/82/91/1067178291.db2.gz UQZUJYUWLFQGMH-ZRGSRPPYSA-N 0 0 520.811 4.934 40 30 KJEBRN COC(=O)COc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531214973 1067178270 /nfs/dbraw/zinc/17/82/70/1067178270.db2.gz LEHHUPSMKIXZDZ-MRUKODCESA-N 0 0 596.232 4.561 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC001531214977 1067178254 /nfs/dbraw/zinc/17/82/54/1067178254.db2.gz MHOCSJJPBFNWGR-WMDMUMDLSA-N 0 0 615.120 4.728 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC#N)c(OC)c1 ZINC001531215007 1067178259 /nfs/dbraw/zinc/17/82/59/1067178259.db2.gz NSJFVOFOKRTWPK-BRJLIKDPSA-N 0 0 581.208 4.509 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1OC ZINC001531215026 1067178282 /nfs/dbraw/zinc/17/82/82/1067178282.db2.gz TYSITXZHSINRSC-JELCJJKJSA-N 0 0 550.837 4.941 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1OC ZINC001531215029 1067178301 /nfs/dbraw/zinc/17/83/01/1067178301.db2.gz TYSITXZHSINRSC-OXDZLNHXSA-N 0 0 550.837 4.941 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531215035 1067178264 /nfs/dbraw/zinc/17/82/64/1067178264.db2.gz VGMROBLYZZDYSV-ROTLSHHCSA-N 0 0 517.767 4.912 40 30 KJEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(O)c(I)c1 ZINC001531215942 1067179076 /nfs/dbraw/zinc/17/90/76/1067179076.db2.gz CMTSDYZCOOONRF-YVNNLAQVSA-N 0 0 526.172 4.649 40 30 KJEBRN CCOC(=O)COc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1OC ZINC001531217822 1067179051 /nfs/dbraw/zinc/17/90/51/1067179051.db2.gz QLZZPFUJBCEGOA-PPDIBHTLSA-N 0 0 550.837 4.943 40 30 KJEBRN CCOC(=O)COc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-] ZINC001531219121 1067179104 /nfs/dbraw/zinc/17/91/04/1067179104.db2.gz JJRVCDSOHSDLIY-RAWMCFOBSA-N 0 0 565.808 4.842 40 30 KJEBRN COC(=O)COc1c(I)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531219176 1067179032 /nfs/dbraw/zinc/17/90/32/1067179032.db2.gz VSYFQEGNHCRLSV-RAWMCFOBSA-N 0 0 628.261 4.504 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl ZINC001531224029 1067179045 /nfs/dbraw/zinc/17/90/45/1067179045.db2.gz JLGNPAOQKVFNPH-HXGLEVQOSA-N 0 0 520.811 4.932 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl ZINC001531224030 1067179060 /nfs/dbraw/zinc/17/90/60/1067179060.db2.gz JLGNPAOQKVFNPH-OFAQJKEFSA-N 0 0 520.811 4.932 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OCC)c(OCC)c1 ZINC001531224828 1067179129 /nfs/dbraw/zinc/17/91/29/1067179129.db2.gz BCJDTAKRDYKGHG-UVHMKAGCSA-N 0 0 550.837 4.988 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001531224844 1067179002 /nfs/dbraw/zinc/17/90/02/1067179002.db2.gz CMJJNMAEEVSLGJ-RWPZCVJISA-N 0 0 564.396 4.919 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCC(=O)OC)ccc2ccccc21 ZINC001531224853 1067179098 /nfs/dbraw/zinc/17/90/98/1067179098.db2.gz DETZGQWRHNUKNN-MZJWZYIUSA-N 0 0 508.372 4.699 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OCC)c(OC)c1 ZINC001531224952 1067179135 /nfs/dbraw/zinc/17/91/35/1067179135.db2.gz FXMRQCQSFMWZKS-RPPGKUMJSA-N 0 0 536.810 4.598 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCC(=O)OC ZINC001531225113 1067179459 /nfs/dbraw/zinc/17/94/59/1067179459.db2.gz RDPCNDSOWQFPMZ-BRJLIKDPSA-N 0 0 506.784 4.589 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC001531226786 1067179474 /nfs/dbraw/zinc/17/94/74/1067179474.db2.gz BMVJPOSNTDMEIE-RPPGKUMJSA-N 0 0 628.261 4.549 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(Br)c1Br ZINC001531226828 1067179467 /nfs/dbraw/zinc/17/94/67/1067179467.db2.gz GYAPCHSHMLUAAU-YPXUMCKCSA-N 0 0 645.146 4.782 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 ZINC001531227102 1067179435 /nfs/dbraw/zinc/17/94/35/1067179435.db2.gz PFQMBROIMRDTRY-RWPZCVJISA-N 0 0 564.396 4.919 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCC(=O)OC(C)C ZINC001531227116 1067179445 /nfs/dbraw/zinc/17/94/45/1067179445.db2.gz QXKPKUZKXVDSPL-NLOAGFHQSA-N 0 0 500.393 4.885 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCC(=O)OC(C)C ZINC001531227117 1067179478 /nfs/dbraw/zinc/17/94/78/1067179478.db2.gz QXKPKUZKXVDSPL-PASSITCSSA-N 0 0 500.393 4.885 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC001531227122 1067179487 /nfs/dbraw/zinc/17/94/87/1067179487.db2.gz RUIZTUPJMDIGGK-NSKAYECMSA-N 0 0 615.120 4.773 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)OCC)c(OC)c1 ZINC001531227200 1067179498 /nfs/dbraw/zinc/17/94/98/1067179498.db2.gz YSRYJBIETRLHLC-NEZLHVBRSA-N 0 0 560.445 4.731 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)OCC)c(OC)c1 ZINC001531227202 1067180153 /nfs/dbraw/zinc/18/01/53/1067180153.db2.gz YSRYJBIETRLHLC-SSVJFZKPSA-N 0 0 560.445 4.731 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OCC)c(OC)c1 ZINC001531230306 1067180108 /nfs/dbraw/zinc/18/01/08/1067180108.db2.gz SFBNZWYTQBHGKB-UVHMKAGCSA-N 0 0 642.288 4.939 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC001531230355 1067180247 /nfs/dbraw/zinc/18/02/47/1067180247.db2.gz UGPFCVDVZVPABX-QYYVIKQZSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC001531230360 1067180260 /nfs/dbraw/zinc/18/02/60/1067180260.db2.gz UGPFCVDVZVPABX-RRIAJIOSSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC001531230363 1067180219 /nfs/dbraw/zinc/18/02/19/1067180219.db2.gz UGPFCVDVZVPABX-UFGRHXGHSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC001531230366 1067180201 /nfs/dbraw/zinc/18/02/01/1067180201.db2.gz UGPFCVDVZVPABX-XRCCGLOXSA-N 0 0 530.419 4.894 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCC(=O)OCC ZINC001531230369 1067180224 /nfs/dbraw/zinc/18/02/24/1067180224.db2.gz UHVFQCDLUBSJDZ-BRJLIKDPSA-N 0 0 506.784 4.589 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(CC(=O)OCC)c2ccccc12 ZINC001531231310 1067180238 /nfs/dbraw/zinc/18/02/38/1067180238.db2.gz BFJGBHKJRVEBPR-MZJWZYIUSA-N 0 0 509.404 4.902 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531231336 1067180254 /nfs/dbraw/zinc/18/02/54/1067180254.db2.gz CJTPVOJJCWIFNA-BRQOLZEGSA-N 0 0 636.341 4.563 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531231339 1067180118 /nfs/dbraw/zinc/18/01/18/1067180118.db2.gz CJTPVOJJCWIFNA-ZJIVOUCISA-N 0 0 636.341 4.563 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OCC)cc1Br ZINC001531231526 1067180141 /nfs/dbraw/zinc/18/01/41/1067180141.db2.gz MCYMYOHQZICQMP-RPPGKUMJSA-N 0 0 581.261 4.707 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@H](C)C(=O)OC ZINC001531231664 1067180160 /nfs/dbraw/zinc/18/01/60/1067180160.db2.gz NNZLJRYVCHXPSV-HWDKICEFSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)OC ZINC001531231665 1067180282 /nfs/dbraw/zinc/18/02/82/1067180282.db2.gz NNZLJRYVCHXPSV-ZKJHFGPLSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCC(=O)OC(C)C ZINC001531234011 1067180179 /nfs/dbraw/zinc/18/01/79/1067180179.db2.gz CWIIEBPEQNFFQS-RPPGKUMJSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC#N ZINC001531234284 1067180655 /nfs/dbraw/zinc/18/06/55/1067180655.db2.gz UKFOIUIAQDVFNX-WYMPLXKRSA-N 0 0 504.182 4.659 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)cc1 ZINC001531234476 1067180641 /nfs/dbraw/zinc/18/06/41/1067180641.db2.gz ZBUGFVUYGHIFSU-NLOAGFHQSA-N 0 0 500.393 4.885 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)cc1 ZINC001531234478 1067180660 /nfs/dbraw/zinc/18/06/60/1067180660.db2.gz ZBUGFVUYGHIFSU-PASSITCSSA-N 0 0 500.393 4.885 40 30 KJEBRN C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)OC ZINC001531235822 1067180663 /nfs/dbraw/zinc/18/06/63/1067180663.db2.gz CDSVLIILPGGLEP-RWPZCVJISA-N 0 0 542.430 4.673 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC001531235877 1067180644 /nfs/dbraw/zinc/18/06/44/1067180644.db2.gz FFDMYGIOZDVYSA-DFZVVERJSA-N 0 0 570.669 4.835 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC001531235879 1067180657 /nfs/dbraw/zinc/18/06/57/1067180657.db2.gz FFDMYGIOZDVYSA-LLBBJIQCSA-N 0 0 570.669 4.835 40 30 KJEBRN C#CCOc1ccc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc1I ZINC001531235980 1067180636 /nfs/dbraw/zinc/18/06/36/1067180636.db2.gz KLASZDCQFPSEJK-ZMOGYAJESA-N 0 0 550.194 4.610 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OCC)c(Cl)c1 ZINC001531236089 1067180651 /nfs/dbraw/zinc/18/06/51/1067180651.db2.gz NXIWUTABFUDTSE-BRJLIKDPSA-N 0 0 506.784 4.589 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001531236105 1067180610 /nfs/dbraw/zinc/18/06/10/1067180610.db2.gz OZWPKTUIAOMJEV-KBKYJPHKSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@H](C)C(=O)OC ZINC001531236147 1067180613 /nfs/dbraw/zinc/18/06/13/1067180613.db2.gz QWVCESZKTOVQPJ-CJCQAYSXSA-N 0 0 506.784 4.587 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@@H](C)C(=O)OC ZINC001531236153 1067180602 /nfs/dbraw/zinc/18/06/02/1067180602.db2.gz QWVCESZKTOVQPJ-XIXVAHAYSA-N 0 0 506.784 4.587 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OCC)c(I)c1 ZINC001531238748 1067181110 /nfs/dbraw/zinc/18/11/10/1067181110.db2.gz VABLOKGNGNCSSF-LGJNPRDNSA-N 0 0 612.262 4.930 40 30 KJEBRN C#CCOc1c(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC ZINC001531242381 1067181015 /nfs/dbraw/zinc/18/10/15/1067181015.db2.gz FOBLLBWSDHIKFF-DHRITJCHSA-N 0 0 533.220 4.777 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OC(C)=O ZINC001531242501 1067181071 /nfs/dbraw/zinc/18/10/71/1067181071.db2.gz MWKABRAGARQFLR-BHGWPJFGSA-N 0 0 566.206 4.980 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O)c(OCC)c1 ZINC001531242541 1067181036 /nfs/dbraw/zinc/18/10/36/1067181036.db2.gz NZGNMECOERBDBI-FOKLQQMPSA-N 0 0 556.198 4.703 40 30 KJEBRN C#CCOc1c(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(Cl)cc1[N+](=O)[O-] ZINC001531242545 1067181026 /nfs/dbraw/zinc/18/10/26/1067181026.db2.gz OEXVGMXVYZNZMC-DHRITJCHSA-N 0 0 517.767 4.957 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OCC)c(Cl)c1 ZINC001531242698 1067181154 /nfs/dbraw/zinc/18/11/54/1067181154.db2.gz STYTWAQFOKFRFT-JUCPORTRSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OCC)c(Cl)c1 ZINC001531242701 1067181221 /nfs/dbraw/zinc/18/12/21/1067181221.db2.gz STYTWAQFOKFRFT-WOLHVBPDSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OC ZINC001531242708 1067181137 /nfs/dbraw/zinc/18/11/37/1067181137.db2.gz UAWUTEWCIMLWPT-LSHDLFTRSA-N 0 0 524.169 4.673 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(I)cc1 ZINC001531242762 1067181190 /nfs/dbraw/zinc/18/11/90/1067181190.db2.gz WCJCIQMCSWQKAA-WSDLNYQXSA-N 0 0 510.173 4.988 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC001531242786 1067181182 /nfs/dbraw/zinc/18/11/82/1067181182.db2.gz WRHHEURESMWLTO-BHGWPJFGSA-N 0 0 549.179 4.567 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC001531244938 1067181202 /nfs/dbraw/zinc/18/12/02/1067181202.db2.gz CRGWGVBEMFQQMU-RPPGKUMJSA-N 0 0 565.808 4.887 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OC)cc1Br ZINC001531244960 1067181083 /nfs/dbraw/zinc/18/10/83/1067181083.db2.gz DQVGZHCYXDJZEX-FOKLQQMPSA-N 0 0 509.198 4.773 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC001531245067 1067181217 /nfs/dbraw/zinc/18/12/17/1067181217.db2.gz OGPOKJXRHQLVQI-SUZBBLJPSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC001531245068 1067181803 /nfs/dbraw/zinc/18/18/03/1067181803.db2.gz OGPOKJXRHQLVQI-UQJRAWQTSA-N 0 0 565.808 4.886 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O)c(I)c1 ZINC001531245077 1067181721 /nfs/dbraw/zinc/18/17/21/1067181721.db2.gz NVGHMOCPKZLOCI-WMJRALALSA-N 0 0 526.172 4.865 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O)c(I)c1 ZINC001531245078 1067181770 /nfs/dbraw/zinc/18/17/70/1067181770.db2.gz NVGHMOCPKZLOCI-ZOCVZFIWSA-N 0 0 526.172 4.865 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCC(N)=O)ccc2ccccc21 ZINC001531245128 1067181650 /nfs/dbraw/zinc/18/16/50/1067181650.db2.gz PHFUBXAHKOSSKG-JBCPZZPVSA-N 0 0 507.388 4.572 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCC(N)=O)ccc2ccccc21 ZINC001531245131 1067181664 /nfs/dbraw/zinc/18/16/64/1067181664.db2.gz PHFUBXAHKOSSKG-VMJBBSNPSA-N 0 0 507.388 4.572 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n([C@@H](C)C(=O)OC)c2ccccc12 ZINC001531245189 1067181644 /nfs/dbraw/zinc/18/16/44/1067181644.db2.gz RZRABRXKZSVZIF-JZNDDVEWSA-N 0 0 509.404 4.991 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n([C@H](C)C(=O)OC)c2ccccc12 ZINC001531245190 1067181658 /nfs/dbraw/zinc/18/16/58/1067181658.db2.gz RZRABRXKZSVZIF-NKZWWHGNSA-N 0 0 509.404 4.991 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531245219 1067181636 /nfs/dbraw/zinc/18/16/36/1067181636.db2.gz YKELXUKIVMOJOY-IXORVSQSSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531245220 1067181780 /nfs/dbraw/zinc/18/17/80/1067181780.db2.gz YKELXUKIVMOJOY-NXYZXBHKSA-N 0 0 545.390 4.622 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(Cl)c1 ZINC001531245271 1067181750 /nfs/dbraw/zinc/18/17/50/1067181750.db2.gz WFJFPMRELVHJMG-BTIIEKFUSA-N 0 0 506.784 4.760 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(Cl)c1 ZINC001531245272 1067181797 /nfs/dbraw/zinc/18/17/97/1067181797.db2.gz WFJFPMRELVHJMG-OBPDLJBASA-N 0 0 506.784 4.760 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OCC)c(I)c1 ZINC001531245287 1067181703 /nfs/dbraw/zinc/18/17/03/1067181703.db2.gz YBCSBXBOBLKOIR-JUCPORTRSA-N 0 0 612.262 4.929 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OCC)c(I)c1 ZINC001531245288 1067181807 /nfs/dbraw/zinc/18/18/07/1067181807.db2.gz YBCSBXBOBLKOIR-WOLHVBPDSA-N 0 0 612.262 4.929 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC001531249415 1067181734 /nfs/dbraw/zinc/18/17/34/1067181734.db2.gz HEORRYUMURXQLY-XODNFHPESA-N 0 0 582.282 4.538 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531249416 1067181786 /nfs/dbraw/zinc/18/17/86/1067181786.db2.gz HJBMJYXWRHMZHB-SUZBBLJPSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531249417 1067181713 /nfs/dbraw/zinc/18/17/13/1067181713.db2.gz HJBMJYXWRHMZHB-UQJRAWQTSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC001531249426 1067181678 /nfs/dbraw/zinc/18/16/78/1067181678.db2.gz IMRYIBGRMFHRKR-SUZBBLJPSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC001531249427 1067181741 /nfs/dbraw/zinc/18/17/41/1067181741.db2.gz IMRYIBGRMFHRKR-UQJRAWQTSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC)c([N+](=O)[O-])c1 ZINC001531249428 1067182219 /nfs/dbraw/zinc/18/22/19/1067182219.db2.gz IMUZTYZJKXMEKL-ZMOGYAJESA-N 0 0 503.353 4.699 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)N1CCOCC1 ZINC001531249431 1067182227 /nfs/dbraw/zinc/18/22/27/1067182227.db2.gz IVDSULROHASXMV-KXVDBBMMSA-N 0 0 606.315 4.555 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)N1CCOCC1 ZINC001531249432 1067182142 /nfs/dbraw/zinc/18/21/42/1067182142.db2.gz IVDSULROHASXMV-WBBAFLOHSA-N 0 0 606.315 4.555 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)c(Cl)c1 ZINC001531249457 1067182280 /nfs/dbraw/zinc/18/22/80/1067182280.db2.gz MIXVSASVBMXGPD-RPPGKUMJSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC)c(Br)c1 ZINC001531249728 1067182094 /nfs/dbraw/zinc/18/20/94/1067182094.db2.gz VBZBFVMNNXOTHK-KIBLKLHPSA-N 0 0 571.653 4.961 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c1 ZINC001531249809 1067182288 /nfs/dbraw/zinc/18/22/88/1067182288.db2.gz YFOMLXGSHGXQPX-MWZGVZDOSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c1 ZINC001531249810 1067182308 /nfs/dbraw/zinc/18/23/08/1067182308.db2.gz YFOMLXGSHGXQPX-NUTJXVTOSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c1 ZINC001531249813 1067182257 /nfs/dbraw/zinc/18/22/57/1067182257.db2.gz YFOMLXGSHGXQPX-PHTPLWDTSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c1 ZINC001531249815 1067182119 /nfs/dbraw/zinc/18/21/19/1067182119.db2.gz YFOMLXGSHGXQPX-QZJQTBSDSA-N 0 0 500.393 4.885 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC#N)c([N+](=O)[O-])c1 ZINC001531254712 1067182181 /nfs/dbraw/zinc/18/21/81/1067182181.db2.gz CYEGVNCOTGCYOV-BRJLIKDPSA-N 0 0 518.755 4.848 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(CC(=O)OC(C)C)c2ccccc12 ZINC001531254812 1067182339 /nfs/dbraw/zinc/18/23/39/1067182339.db2.gz IVJUNJVQRKSLPP-UVHMKAGCSA-N 0 0 509.404 4.900 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OCC)c(Br)c1 ZINC001531254817 1067182210 /nfs/dbraw/zinc/18/22/10/1067182210.db2.gz JEKBMSFCSZITBM-BRJLIKDPSA-N 0 0 551.235 4.698 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC001531254986 1067182331 /nfs/dbraw/zinc/18/23/31/1067182331.db2.gz QIGXZTVWCURNFY-BRJLIKDPSA-N 0 0 563.206 4.957 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC#N)c(I)c1 ZINC001531254990 1067182198 /nfs/dbraw/zinc/18/21/98/1067182198.db2.gz RMIYUKXDKSXNOK-WYMPLXKRSA-N 0 0 551.182 4.501 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)OC ZINC001531255007 1067182169 /nfs/dbraw/zinc/18/21/69/1067182169.db2.gz UDOMYUKAICMMAA-LGXUHMPSSA-N 0 0 536.810 4.769 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)OC ZINC001531255008 1067182299 /nfs/dbraw/zinc/18/22/99/1067182299.db2.gz UDOMYUKAICMMAA-RCMPGLAHSA-N 0 0 536.810 4.769 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC001531255055 1067182238 /nfs/dbraw/zinc/18/22/38/1067182238.db2.gz XHJSKOYVWWYZPR-RPPGKUMJSA-N 0 0 553.329 4.997 40 30 KJEBRN CCOC(=O)COc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC001531255065 1067182249 /nfs/dbraw/zinc/18/22/49/1067182249.db2.gz XIXPOSVWXMUCTH-PBEVGHANSA-N 0 0 516.392 4.505 40 30 KJEBRN CCOC(=O)COc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC001531255067 1067182979 /nfs/dbraw/zinc/18/29/79/1067182979.db2.gz XIXPOSVWXMUCTH-WEPAEKJRSA-N 0 0 516.392 4.505 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC001531255081 1067182858 /nfs/dbraw/zinc/18/28/58/1067182858.db2.gz YLAYVUJXGLELCK-MWZGVZDOSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC001531255084 1067182945 /nfs/dbraw/zinc/18/29/45/1067182945.db2.gz YLAYVUJXGLELCK-NUTJXVTOSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC001531255086 1067182880 /nfs/dbraw/zinc/18/28/80/1067182880.db2.gz YLAYVUJXGLELCK-PHTPLWDTSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC001531255088 1067182894 /nfs/dbraw/zinc/18/28/94/1067182894.db2.gz YLAYVUJXGLELCK-QZJQTBSDSA-N 0 0 500.393 4.885 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O ZINC001531255558 1067182873 /nfs/dbraw/zinc/18/28/73/1067182873.db2.gz BDHRWAYSVNFPBS-FOKLQQMPSA-N 0 0 509.198 4.861 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OC(C)=O)c(OC)c1 ZINC001531255655 1067182914 /nfs/dbraw/zinc/18/29/14/1067182914.db2.gz DVFCEXKUCZFOII-BRJLIKDPSA-N 0 0 506.784 4.971 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC)c(I)c1 ZINC001531255775 1067182965 /nfs/dbraw/zinc/18/29/65/1067182965.db2.gz OLEMWFXCEXQRNV-FSJBWODESA-N 0 0 540.199 4.997 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)c(OC)c1 ZINC001531255833 1067182921 /nfs/dbraw/zinc/18/29/21/1067182921.db2.gz SCQKRNGMPSQBLX-BYEGDDEQSA-N 0 0 530.419 4.894 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)c(OC)c1 ZINC001531255836 1067182928 /nfs/dbraw/zinc/18/29/28/1067182928.db2.gz SCQKRNGMPSQBLX-WMMPRDMWSA-N 0 0 530.419 4.894 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC#N ZINC001531255841 1067182934 /nfs/dbraw/zinc/18/29/34/1067182934.db2.gz SIZRNLWEHAIQMQ-BRJLIKDPSA-N 0 0 534.208 4.667 40 30 KJEBRN C#CCOc1cc(Br)c(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc1OC ZINC001531255948 1067182951 /nfs/dbraw/zinc/18/29/51/1067182951.db2.gz XNTVBBNICXYHNW-DHRITJCHSA-N 0 0 533.220 4.777 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(I)c1 ZINC001531256518 1067182970 /nfs/dbraw/zinc/18/29/70/1067182970.db2.gz IESPXKJFVZENJX-BTIIEKFUSA-N 0 0 598.235 4.711 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(I)c1 ZINC001531256519 1067182900 /nfs/dbraw/zinc/18/29/00/1067182900.db2.gz IESPXKJFVZENJX-OBPDLJBASA-N 0 0 598.235 4.711 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1O[C@@H](C)C(=O)OCC ZINC001531256566 1067183515 /nfs/dbraw/zinc/18/35/15/1067183515.db2.gz OLQGQUXWBRQIHZ-IXORVSQSSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1O[C@H](C)C(=O)OCC ZINC001531256568 1067183500 /nfs/dbraw/zinc/18/35/00/1067183500.db2.gz OLQGQUXWBRQIHZ-NXYZXBHKSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC)c(OCC)c1 ZINC001531256663 1067183434 /nfs/dbraw/zinc/18/34/34/1067183434.db2.gz PVTIOEUYAWNLGG-UVHMKAGCSA-N 0 0 550.837 4.988 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCC(=O)N1CCOCC1 ZINC001531256672 1067183486 /nfs/dbraw/zinc/18/34/86/1067183486.db2.gz RLIRQTPEBPRGEM-XODNFHPESA-N 0 0 626.733 4.647 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(N)=O)c(I)c1 ZINC001531256681 1067183510 /nfs/dbraw/zinc/18/35/10/1067183510.db2.gz UMGVWUQCNDIKEP-DFZVVERJSA-N 0 0 709.120 4.628 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(N)=O)c(I)c1 ZINC001531256682 1067183457 /nfs/dbraw/zinc/18/34/57/1067183457.db2.gz UMGVWUQCNDIKEP-LLBBJIQCSA-N 0 0 709.120 4.628 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1OC ZINC001531256685 1067183494 /nfs/dbraw/zinc/18/34/94/1067183494.db2.gz UUQNSGWNZGCSKF-QYYVIKQZSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1OC ZINC001531256686 1067183535 /nfs/dbraw/zinc/18/35/35/1067183535.db2.gz UUQNSGWNZGCSKF-RRIAJIOSSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1OC ZINC001531256687 1067183428 /nfs/dbraw/zinc/18/34/28/1067183428.db2.gz UUQNSGWNZGCSKF-UFGRHXGHSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1OC ZINC001531256688 1067183464 /nfs/dbraw/zinc/18/34/64/1067183464.db2.gz UUQNSGWNZGCSKF-XRCCGLOXSA-N 0 0 530.419 4.894 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531256721 1067183422 /nfs/dbraw/zinc/18/34/22/1067183422.db2.gz XZAKWNQBWXJALQ-BRQOLZEGSA-N 0 0 636.341 4.563 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531256722 1067183394 /nfs/dbraw/zinc/18/33/94/1067183394.db2.gz XZAKWNQBWXJALQ-ZJIVOUCISA-N 0 0 636.341 4.563 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC001531256736 1067183416 /nfs/dbraw/zinc/18/34/16/1067183416.db2.gz ZDRUHSVCFCMJSZ-CNBZCNBXSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC001531256737 1067183479 /nfs/dbraw/zinc/18/34/79/1067183479.db2.gz ZDRUHSVCFCMJSZ-FBFVKKPCSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC001531256738 1067183443 /nfs/dbraw/zinc/18/34/43/1067183443.db2.gz ZDRUHSVCFCMJSZ-GAXZWJJOSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC001531256739 1067183529 /nfs/dbraw/zinc/18/35/29/1067183529.db2.gz ZDRUHSVCFCMJSZ-OGYCJMONSA-N 0 0 575.416 4.802 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC#N ZINC001531258420 1067183410 /nfs/dbraw/zinc/18/34/10/1067183410.db2.gz BOBLJYJPQBPFPL-BRJLIKDPSA-N 0 0 563.206 4.957 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC001531258459 1067183447 /nfs/dbraw/zinc/18/34/47/1067183447.db2.gz GGPLURMSHKCDEI-KBKYJPHKSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(CC(=O)N2CCOCC2)c2ccccc12 ZINC001531263040 1067184042 /nfs/dbraw/zinc/18/40/42/1067184042.db2.gz DGAICUQYJDWNQI-OCSSWDANSA-N 0 0 564.484 4.506 40 30 KJEBRN C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)OC ZINC001531263072 1067184050 /nfs/dbraw/zinc/18/40/50/1067184050.db2.gz JUBNTAJIQGJQQZ-RWPZCVJISA-N 0 0 542.430 4.673 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)N2CCOCC2)c(I)c1 ZINC001531263088 1067184020 /nfs/dbraw/zinc/18/40/20/1067184020.db2.gz LFAQAAZOJGUIBD-IPPBACCNSA-N 0 0 779.211 4.831 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O)c(I)c1 ZINC001531263115 1067184067 /nfs/dbraw/zinc/18/40/67/1067184067.db2.gz NCBSSJYYXVBNEG-SSDVNMTOSA-N 0 0 526.172 4.694 40 30 KJEBRN C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC001531263130 1067184038 /nfs/dbraw/zinc/18/40/38/1067184038.db2.gz NOZRAUUBVKXRJI-AMBXXVILSA-N 0 0 611.537 4.920 40 30 KJEBRN C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC001531263134 1067184100 /nfs/dbraw/zinc/18/41/00/1067184100.db2.gz NOZRAUUBVKXRJI-LXISSDBLSA-N 0 0 611.537 4.920 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1O[C@@H](C)C(=O)OCC ZINC001531263192 1067184109 /nfs/dbraw/zinc/18/41/09/1067184109.db2.gz OTAGPSLTFZELKS-IXORVSQSSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1O[C@H](C)C(=O)OCC ZINC001531263196 1067184024 /nfs/dbraw/zinc/18/40/24/1067184024.db2.gz OTAGPSLTFZELKS-NXYZXBHKSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OCC)cc1 ZINC001531263471 1067183992 /nfs/dbraw/zinc/18/39/92/1067183992.db2.gz UDAHFZFJAUFMFR-KSXCTLEASA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OCC)cc1 ZINC001531263473 1067184104 /nfs/dbraw/zinc/18/41/04/1067184104.db2.gz UDAHFZFJAUFMFR-WBILBPDKSA-N 0 0 500.393 4.714 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001531263536 1067184091 /nfs/dbraw/zinc/18/40/91/1067184091.db2.gz WGVNSUJNPNVBEU-UVHMKAGCSA-N 0 0 575.416 4.631 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC001531263546 1067184113 /nfs/dbraw/zinc/18/41/13/1067184113.db2.gz XJBSGGMINYUCDZ-DHRITJCHSA-N 0 0 517.767 4.957 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OC(C)=O ZINC001531264638 1067184056 /nfs/dbraw/zinc/18/40/56/1067184056.db2.gz CBBUEONTWUTAQI-BHGWPJFGSA-N 0 0 537.208 4.690 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)cc1 ZINC001531264822 1067183984 /nfs/dbraw/zinc/18/39/84/1067183984.db2.gz HJYFTSMXFQGJCN-VULFUBBASA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC#N ZINC001531264841 1067184719 /nfs/dbraw/zinc/18/47/19/1067184719.db2.gz KQEXMYQTQKBXEN-BRJLIKDPSA-N 0 0 518.755 4.848 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OC)c(OC)c1 ZINC001531264932 1067184743 /nfs/dbraw/zinc/18/47/43/1067184743.db2.gz OCXMMEHCFQKDRK-RPPGKUMJSA-N 0 0 628.261 4.549 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)OC ZINC001531265344 1067184643 /nfs/dbraw/zinc/18/46/43/1067184643.db2.gz ZDSSNHCTZKPRTD-RPPGKUMJSA-N 0 0 536.810 4.598 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O)c(OC)c1 ZINC001531268470 1067184764 /nfs/dbraw/zinc/18/47/64/1067184764.db2.gz DQGWEEPYEIPHSB-MOSLJXCSSA-N 0 0 556.198 4.874 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O)c(OC)c1 ZINC001531268472 1067184609 /nfs/dbraw/zinc/18/46/09/1067184609.db2.gz DQGWEEPYEIPHSB-QQUGTJAQSA-N 0 0 556.198 4.874 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O)c(OC)c1 ZINC001531268485 1067184552 /nfs/dbraw/zinc/18/45/52/1067184552.db2.gz DXPXMRHZNZEZGQ-FOKLQQMPSA-N 0 0 556.198 4.703 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OC(C)=O ZINC001531268550 1067184682 /nfs/dbraw/zinc/18/46/82/1067184682.db2.gz HYNBPPVUJQIYAV-BRJLIKDPSA-N 0 0 506.784 4.971 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)OC ZINC001531268665 1067184580 /nfs/dbraw/zinc/18/45/80/1067184580.db2.gz URRDVTFMKPYLER-LPUHGPTISA-N 0 0 551.781 4.668 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)OC ZINC001531268666 1067184628 /nfs/dbraw/zinc/18/46/28/1067184628.db2.gz URRDVTFMKPYLER-LUKCILAXSA-N 0 0 551.781 4.668 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC001531268854 1067184707 /nfs/dbraw/zinc/18/47/07/1067184707.db2.gz JFXPAYFFVZQMJU-NIWMEASBSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC001531268855 1067184589 /nfs/dbraw/zinc/18/45/89/1067184589.db2.gz JFXPAYFFVZQMJU-RAJWWHQXSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC001531268856 1067184633 /nfs/dbraw/zinc/18/46/33/1067184633.db2.gz JFXPAYFFVZQMJU-WPSVBWTFSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC001531268857 1067184756 /nfs/dbraw/zinc/18/47/56/1067184756.db2.gz JFXPAYFFVZQMJU-ZXMFKWPASA-N 0 0 545.390 4.793 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCC(N)=O)cc2)c1C ZINC001531268870 1067184671 /nfs/dbraw/zinc/18/46/71/1067184671.db2.gz KITHQOINLGUHJY-FJEPWZHXSA-N 0 0 550.457 4.655 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1O[C@H](C)C(=O)OCC ZINC001531268871 1067184728 /nfs/dbraw/zinc/18/47/28/1067184728.db2.gz KJGYYVGICZYCMV-KSXCTLEASA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1O[C@@H](C)C(=O)OCC ZINC001531268873 1067184615 /nfs/dbraw/zinc/18/46/15/1067184615.db2.gz KJGYYVGICZYCMV-WBILBPDKSA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531269120 1067185368 /nfs/dbraw/zinc/18/53/68/1067185368.db2.gz PKROLSHWURCEAE-HWDKICEFSA-N 0 0 642.288 4.937 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531269124 1067185375 /nfs/dbraw/zinc/18/53/75/1067185375.db2.gz PKROLSHWURCEAE-ZKJHFGPLSA-N 0 0 642.288 4.937 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC#N ZINC001531269244 1067185381 /nfs/dbraw/zinc/18/53/81/1067185381.db2.gz TXHYHHSDOOOWDW-LGJNPRDNSA-N 0 0 503.784 4.948 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1[N+](=O)[O-] ZINC001531269304 1067185343 /nfs/dbraw/zinc/18/53/43/1067185343.db2.gz XAEDAUUTONNTIP-NIWMEASBSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1[N+](=O)[O-] ZINC001531269305 1067185363 /nfs/dbraw/zinc/18/53/63/1067185363.db2.gz XAEDAUUTONNTIP-RAJWWHQXSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1[N+](=O)[O-] ZINC001531269306 1067185384 /nfs/dbraw/zinc/18/53/84/1067185384.db2.gz XAEDAUUTONNTIP-WPSVBWTFSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1[N+](=O)[O-] ZINC001531269307 1067185349 /nfs/dbraw/zinc/18/53/49/1067185349.db2.gz XAEDAUUTONNTIP-ZXMFKWPASA-N 0 0 545.390 4.793 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531269317 1067185335 /nfs/dbraw/zinc/18/53/35/1067185335.db2.gz YEGCCBNLVYUZDH-FYDYWCEBSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531269318 1067185374 /nfs/dbraw/zinc/18/53/74/1067185374.db2.gz YEGCCBNLVYUZDH-PJAVDKHJSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531269674 1067185383 /nfs/dbraw/zinc/18/53/83/1067185383.db2.gz BZAUXVUAQFMAPO-BTQGWNRHSA-N 0 0 596.232 4.605 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531269676 1067185339 /nfs/dbraw/zinc/18/53/39/1067185339.db2.gz BZAUXVUAQFMAPO-JBBSTVMTSA-N 0 0 596.232 4.605 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531269678 1067185353 /nfs/dbraw/zinc/18/53/53/1067185353.db2.gz CGTVDOLWRIPLNX-HWDKICEFSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531269679 1067185378 /nfs/dbraw/zinc/18/53/78/1067185378.db2.gz CGTVDOLWRIPLNX-ZKJHFGPLSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)N2CCOCC2)cc1Br ZINC001531269711 1067185357 /nfs/dbraw/zinc/18/53/57/1067185357.db2.gz DVQJLIGCHCHQDG-OKCVXOCRSA-N 0 0 650.368 4.783 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)OCC ZINC001531269714 1067185371 /nfs/dbraw/zinc/18/53/71/1067185371.db2.gz FKKPODRYDYGSJN-BRJLIKDPSA-N 0 0 551.235 4.698 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC001531269757 1067185347 /nfs/dbraw/zinc/18/53/47/1067185347.db2.gz HBWIMKINVLPQSF-UVPDUMAMSA-N 0 0 605.917 4.844 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC001531269759 1067185896 /nfs/dbraw/zinc/18/58/96/1067185896.db2.gz HBWIMKINVLPQSF-ZTCTXGLISA-N 0 0 605.917 4.844 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OCC)c(Cl)c1 ZINC001531269795 1067185836 /nfs/dbraw/zinc/18/58/36/1067185836.db2.gz KCBMOZNGRAVRQZ-LGJNPRDNSA-N 0 0 520.811 4.979 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCC(=O)OC ZINC001531269825 1067185815 /nfs/dbraw/zinc/18/58/15/1067185815.db2.gz MDLKYXXZEWOEMB-BTIIEKFUSA-N 0 0 506.784 4.760 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCC(=O)OC ZINC001531269826 1067185853 /nfs/dbraw/zinc/18/58/53/1067185853.db2.gz MDLKYXXZEWOEMB-OBPDLJBASA-N 0 0 506.784 4.760 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1O[C@H](C)C(=O)OC ZINC001531269939 1067185964 /nfs/dbraw/zinc/18/59/64/1067185964.db2.gz RAOWNFJGNRCOHJ-QYYVIKQZSA-N 0 0 529.435 4.561 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1O[C@H](C)C(=O)OC ZINC001531269942 1067185908 /nfs/dbraw/zinc/18/59/08/1067185908.db2.gz RAOWNFJGNRCOHJ-RRIAJIOSSA-N 0 0 529.435 4.561 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1O[C@@H](C)C(=O)OC ZINC001531269946 1067185795 /nfs/dbraw/zinc/18/57/95/1067185795.db2.gz RAOWNFJGNRCOHJ-UFGRHXGHSA-N 0 0 529.435 4.561 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1O[C@@H](C)C(=O)OC ZINC001531269949 1067185947 /nfs/dbraw/zinc/18/59/47/1067185947.db2.gz RAOWNFJGNRCOHJ-XRCCGLOXSA-N 0 0 529.435 4.561 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC)c(I)c1 ZINC001531270011 1067185868 /nfs/dbraw/zinc/18/58/68/1067185868.db2.gz SUNPEYVSXPLIGG-SSDVNMTOSA-N 0 0 526.172 4.607 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001531270015 1067185842 /nfs/dbraw/zinc/18/58/42/1067185842.db2.gz UBVXNUBXWGJETR-OJMOCAQPSA-N 0 0 575.416 4.802 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001531270016 1067185889 /nfs/dbraw/zinc/18/58/89/1067185889.db2.gz UBVXNUBXWGJETR-QLNWWMQYSA-N 0 0 575.416 4.802 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O)cc1Br ZINC001531270019 1067185917 /nfs/dbraw/zinc/18/59/17/1067185917.db2.gz UDIFZEOUZWPWFD-FOKLQQMPSA-N 0 0 509.198 4.861 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC001531275175 1067185808 /nfs/dbraw/zinc/18/58/08/1067185808.db2.gz BOLLCUHVESKODF-OWAQKBPCSA-N 0 0 546.418 4.514 40 30 KJEBRN CCOC(=O)COc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC001531275176 1067185862 /nfs/dbraw/zinc/18/58/62/1067185862.db2.gz BOLLCUHVESKODF-QJXMJWHHSA-N 0 0 546.418 4.514 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OC)c([N+](=O)[O-])c1 ZINC001531275441 1067185878 /nfs/dbraw/zinc/18/58/78/1067185878.db2.gz NNVBHVXXACFPOY-ZMOGYAJESA-N 0 0 503.353 4.699 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(O[C@H](C)C(=O)OCC)c1 ZINC001531275444 1067186463 /nfs/dbraw/zinc/18/64/63/1067186463.db2.gz NPXKCFARRAIHQJ-KSXCTLEASA-N 0 0 500.393 4.714 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(O[C@@H](C)C(=O)OCC)c1 ZINC001531275446 1067186498 /nfs/dbraw/zinc/18/64/98/1067186498.db2.gz NPXKCFARRAIHQJ-WBILBPDKSA-N 0 0 500.393 4.714 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001531275582 1067186451 /nfs/dbraw/zinc/18/64/51/1067186451.db2.gz PRCRZWIXXLUTDS-PZIWGWIQSA-N 0 0 545.390 4.793 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001531275583 1067186490 /nfs/dbraw/zinc/18/64/90/1067186490.db2.gz PRCRZWIXXLUTDS-ZXGJNYTGSA-N 0 0 545.390 4.793 40 30 KJEBRN C=CCOc1c(OCC)cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC001531275614 1067186495 /nfs/dbraw/zinc/18/64/95/1067186495.db2.gz ULJYOAHHEQRMHA-AFUMVMLFSA-N 0 0 515.364 4.865 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)c(I)c1 ZINC001531275634 1067186427 /nfs/dbraw/zinc/18/64/27/1067186427.db2.gz WYNFTEDPXUVSFJ-RPPGKUMJSA-N 0 0 612.262 4.929 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC001531276279 1067186438 /nfs/dbraw/zinc/18/64/38/1067186438.db2.gz BXVYGZFUGNKUEI-OKCVXOCRSA-N 0 0 650.368 4.783 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC001531276361 1067186504 /nfs/dbraw/zinc/18/65/04/1067186504.db2.gz GYWOCFKCSIRFQJ-AUEPDCJTSA-N 0 0 552.179 4.590 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC(C)=O)c(Br)c1 ZINC001531276363 1067186467 /nfs/dbraw/zinc/18/64/67/1067186467.db2.gz HGWKIKFWFPQKAO-FOKLQQMPSA-N 0 0 507.182 4.682 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC001531276550 1067186477 /nfs/dbraw/zinc/18/64/77/1067186477.db2.gz KEMGQOKQUSBVJN-NSKAYECMSA-N 0 0 570.669 4.664 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCC(N)=O ZINC001531277920 1067186517 /nfs/dbraw/zinc/18/65/17/1067186517.db2.gz GBJNQEWDZAGHHA-NSKAYECMSA-N 0 0 570.669 4.664 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OC)c(OC)c1 ZINC001531277946 1067186440 /nfs/dbraw/zinc/18/64/40/1067186440.db2.gz JSLSLYYFRBYAQV-LGXUHMPSSA-N 0 0 628.261 4.720 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OC)c(OC)c1 ZINC001531277947 1067186486 /nfs/dbraw/zinc/18/64/86/1067186486.db2.gz JSLSLYYFRBYAQV-RCMPGLAHSA-N 0 0 628.261 4.720 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC001531277948 1067186472 /nfs/dbraw/zinc/18/64/72/1067186472.db2.gz JVEGYBYXMWIQKU-KBKYJPHKSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c(Cl)c1 ZINC001531278115 1067186447 /nfs/dbraw/zinc/18/64/47/1067186447.db2.gz PIDZHLZMWSHWKF-JUCPORTRSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c(Cl)c1 ZINC001531278118 1067186430 /nfs/dbraw/zinc/18/64/30/1067186430.db2.gz PIDZHLZMWSHWKF-WOLHVBPDSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OCC)c(OC)c1 ZINC001531278207 1067186520 /nfs/dbraw/zinc/18/65/20/1067186520.db2.gz VWBKZYBFCIIYAL-UVHMKAGCSA-N 0 0 550.837 4.988 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(CC(=O)OCC)c2ccccc12 ZINC001531278253 1067186457 /nfs/dbraw/zinc/18/64/57/1067186457.db2.gz XTEPLKMELQNFHM-MZJWZYIUSA-N 0 0 509.404 4.820 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)OCC ZINC001531281945 1067187087 /nfs/dbraw/zinc/18/70/87/1067187087.db2.gz AIYDCYKHZMRQSZ-RPPGKUMJSA-N 0 0 565.808 4.887 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O)cc1Br ZINC001531282051 1067186976 /nfs/dbraw/zinc/18/69/76/1067186976.db2.gz HAHFLZGYNYZWKE-FOKLQQMPSA-N 0 0 509.198 4.861 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OC)c([N+](=O)[O-])c1 ZINC001531282063 1067186996 /nfs/dbraw/zinc/18/69/96/1067186996.db2.gz HZDODKGVWCNQGH-LSHDLFTRSA-N 0 0 524.169 4.673 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OC(C)=O ZINC001531282089 1067187041 /nfs/dbraw/zinc/18/70/41/1067187041.db2.gz IRTDOWLIPCVSGH-BHGWPJFGSA-N 0 0 521.755 4.871 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC001531282123 1067187125 /nfs/dbraw/zinc/18/71/25/1067187125.db2.gz KKHVXMUPDUCMRM-PZIWGWIQSA-N 0 0 545.390 4.793 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC001531282125 1067187052 /nfs/dbraw/zinc/18/70/52/1067187052.db2.gz KKHVXMUPDUCMRM-ZXGJNYTGSA-N 0 0 545.390 4.793 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC#N)c(I)c1 ZINC001531282289 1067187004 /nfs/dbraw/zinc/18/70/04/1067187004.db2.gz MEGNDLDASXLQGH-DHRITJCHSA-N 0 0 565.209 4.891 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC#N)c(OCC)c1 ZINC001531282371 1067187115 /nfs/dbraw/zinc/18/71/15/1067187115.db2.gz QFERLYAFMXRQCF-LGJNPRDNSA-N 0 0 595.235 4.899 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCC(N)=O ZINC001531282399 1067187026 /nfs/dbraw/zinc/18/70/26/1067187026.db2.gz SQXFVWPPVIYEOL-OZHCYYCFSA-N 0 0 580.277 4.580 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCC(N)=O ZINC001531282400 1067187131 /nfs/dbraw/zinc/18/71/31/1067187131.db2.gz SQXFVWPPVIYEOL-VHAYKOJPSA-N 0 0 580.277 4.580 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC001531282401 1067187033 /nfs/dbraw/zinc/18/70/33/1067187033.db2.gz STGAXVJHAYOJDW-RPPGKUMJSA-N 0 0 553.329 4.997 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OCC ZINC001531283022 1067187014 /nfs/dbraw/zinc/18/70/14/1067187014.db2.gz DLIKUFIBOWJDKP-OPEKNORGSA-N 0 0 596.232 4.606 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)c(OCC)c1 ZINC001531283258 1067186920 /nfs/dbraw/zinc/18/69/20/1067186920.db2.gz QJGFHPNOTBHHNS-MZJWZYIUSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@H](C)C(=O)OC ZINC001531285046 1067186965 /nfs/dbraw/zinc/18/69/65/1067186965.db2.gz DXNDVIDKWKWGHT-SUZBBLJPSA-N 0 0 581.261 4.705 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@@H](C)C(=O)OC ZINC001531285050 1067187107 /nfs/dbraw/zinc/18/71/07/1067187107.db2.gz DXNDVIDKWKWGHT-UQJRAWQTSA-N 0 0 581.261 4.705 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O)c(OCC)c1 ZINC001531285087 1067187064 /nfs/dbraw/zinc/18/70/64/1067187064.db2.gz FIBZAFBMNCPEPG-FOKLQQMPSA-N 0 0 509.198 4.861 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC001531285294 1067186951 /nfs/dbraw/zinc/18/69/51/1067186951.db2.gz QAFPHHQZLTVPHD-DHRITJCHSA-N 0 0 531.363 4.616 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC#N)c(OCC)c1 ZINC001531285300 1067187629 /nfs/dbraw/zinc/18/76/29/1067187629.db2.gz QGKWOEPKPBLXIO-LGJNPRDNSA-N 0 0 503.784 4.948 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)OC(C)C ZINC001531285307 1067187637 /nfs/dbraw/zinc/18/76/37/1067187637.db2.gz QLPIKMKMSNMLHN-KKMKTNMSSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OCC ZINC001531285483 1067187653 /nfs/dbraw/zinc/18/76/53/1067187653.db2.gz ZBSMXIYRWFOIAC-SUZBBLJPSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OCC ZINC001531285485 1067187606 /nfs/dbraw/zinc/18/76/06/1067187606.db2.gz ZBSMXIYRWFOIAC-UQJRAWQTSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OC)cc1OC ZINC001531289426 1067187616 /nfs/dbraw/zinc/18/76/16/1067187616.db2.gz FPGOYPPJNBYNJO-FOKLQQMPSA-N 0 0 509.198 4.773 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC)c(OCC)c1 ZINC001531289454 1067187647 /nfs/dbraw/zinc/18/76/47/1067187647.db2.gz KAVJWKVRELWYPF-RPPGKUMJSA-N 0 0 536.810 4.598 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCC(=O)N1CCOCC1 ZINC001531289483 1067187607 /nfs/dbraw/zinc/18/76/07/1067187607.db2.gz NGZANEJGYGGIIN-UVPDUMAMSA-N 0 0 650.368 4.954 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCC(=O)N1CCOCC1 ZINC001531289484 1067187567 /nfs/dbraw/zinc/18/75/67/1067187567.db2.gz NGZANEJGYGGIIN-ZTCTXGLISA-N 0 0 650.368 4.954 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531291153 1067187664 /nfs/dbraw/zinc/18/76/64/1067187664.db2.gz FCGZBIWNHXDTSL-LPUHGPTISA-N 0 0 551.781 4.668 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531291158 1067187641 /nfs/dbraw/zinc/18/76/41/1067187641.db2.gz FCGZBIWNHXDTSL-LUKCILAXSA-N 0 0 551.781 4.668 40 30 KJEBRN CCOC(=O)COc1cc(N(C)C)ccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC001531291289 1067187572 /nfs/dbraw/zinc/18/75/72/1067187572.db2.gz JKILZRBBMNORKX-JZNDDVEWSA-N 0 0 529.435 4.563 40 30 KJEBRN CCOC(=O)COc1cc(N(C)C)ccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC001531291290 1067187603 /nfs/dbraw/zinc/18/76/03/1067187603.db2.gz JKILZRBBMNORKX-NKZWWHGNSA-N 0 0 529.435 4.563 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OCC)c(I)c1 ZINC001531291328 1067187611 /nfs/dbraw/zinc/18/76/11/1067187611.db2.gz KXIFHSDJTRCSAX-BRJLIKDPSA-N 0 0 598.235 4.540 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC)c(I)c1 ZINC001531291657 1067187576 /nfs/dbraw/zinc/18/75/76/1067187576.db2.gz WWOZIUYJPLTOPS-FSJBWODESA-N 0 0 540.199 4.997 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OCC)c(OC)c1 ZINC001531291959 1067187656 /nfs/dbraw/zinc/18/76/56/1067187656.db2.gz BIRJHQNXIMWVMR-WJGWSCHNSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OCC)c(OC)c1 ZINC001531291962 1067188306 /nfs/dbraw/zinc/18/83/06/1067188306.db2.gz BIRJHQNXIMWVMR-ZXSUQFSISA-N 0 0 530.419 4.723 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)OC ZINC001531291981 1067188285 /nfs/dbraw/zinc/18/82/85/1067188285.db2.gz CJQVITVQCJFNKH-BTIIEKFUSA-N 0 0 551.235 4.869 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)OC ZINC001531291983 1067188472 /nfs/dbraw/zinc/18/84/72/1067188472.db2.gz CJQVITVQCJFNKH-OBPDLJBASA-N 0 0 551.235 4.869 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OC(C)=O ZINC001531292336 1067188457 /nfs/dbraw/zinc/18/84/57/1067188457.db2.gz MVGOLXDCTFMEIZ-CJCQAYSXSA-N 0 0 531.363 4.787 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OC(C)=O ZINC001531292338 1067188403 /nfs/dbraw/zinc/18/84/03/1067188403.db2.gz MVGOLXDCTFMEIZ-XIXVAHAYSA-N 0 0 531.363 4.787 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC)c(Cl)c1Br ZINC001531292349 1067188293 /nfs/dbraw/zinc/18/82/93/1067188293.db2.gz NDUGPYBBTUBOPK-NSKAYECMSA-N 0 0 601.679 4.970 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531292524 1067188452 /nfs/dbraw/zinc/18/84/52/1067188452.db2.gz QPKHMDDISKPXPN-FYDYWCEBSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531292525 1067188363 /nfs/dbraw/zinc/18/83/63/1067188363.db2.gz QPKHMDDISKPXPN-PJAVDKHJSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OC ZINC001531292527 1067188394 /nfs/dbraw/zinc/18/83/94/1067188394.db2.gz RJYVGPPQJHMVDJ-FOKLQQMPSA-N 0 0 509.198 4.773 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)OCC ZINC001531292539 1067188411 /nfs/dbraw/zinc/18/84/11/1067188411.db2.gz UELIEOUTCLPSDT-RPPGKUMJSA-N 0 0 581.261 4.707 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OC)c(OCC)c1 ZINC001531296554 1067188371 /nfs/dbraw/zinc/18/83/71/1067188371.db2.gz GYEWNQOVWTXCTF-RPPGKUMJSA-N 0 0 581.261 4.707 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)OC(C)C ZINC001531296625 1067188322 /nfs/dbraw/zinc/18/83/22/1067188322.db2.gz NNRSPTMKCBYSQB-BYEGDDEQSA-N 0 0 530.419 4.894 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)OC(C)C ZINC001531296627 1067188420 /nfs/dbraw/zinc/18/84/20/1067188420.db2.gz NNRSPTMKCBYSQB-WMMPRDMWSA-N 0 0 530.419 4.894 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OCC ZINC001531296646 1067188355 /nfs/dbraw/zinc/18/83/55/1067188355.db2.gz ODVVVDRPCNTCDE-SUZBBLJPSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OCC ZINC001531296719 1067188262 /nfs/dbraw/zinc/18/82/62/1067188262.db2.gz ODVVVDRPCNTCDE-UQJRAWQTSA-N 0 0 610.259 4.995 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)cc1Br ZINC001531296723 1067188463 /nfs/dbraw/zinc/18/84/63/1067188463.db2.gz PBIWSRMBHIAQBG-BRQOLZEGSA-N 0 0 636.341 4.563 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)cc1Br ZINC001531296724 1067188428 /nfs/dbraw/zinc/18/84/28/1067188428.db2.gz PBIWSRMBHIAQBG-ZJIVOUCISA-N 0 0 636.341 4.563 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531296759 1067188436 /nfs/dbraw/zinc/18/84/36/1067188436.db2.gz RUHZZFYXEZYQEF-OPEKNORGSA-N 0 0 596.232 4.606 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(=O)OC(C)C ZINC001531296761 1067188753 /nfs/dbraw/zinc/18/87/53/1067188753.db2.gz SIBLAPWDUNBSGD-RWPZCVJISA-N 0 0 543.462 4.780 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC001531297010 1067188776 /nfs/dbraw/zinc/18/87/76/1067188776.db2.gz BNVONJUQBHBVMH-HMNPYCRMSA-N 0 0 577.479 4.946 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC001531297011 1067188796 /nfs/dbraw/zinc/18/87/96/1067188796.db2.gz BNVONJUQBHBVMH-LVGRRZFUSA-N 0 0 577.479 4.946 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531297219 1067188747 /nfs/dbraw/zinc/18/87/47/1067188747.db2.gz PZYFTZIURCLHHI-SUZBBLJPSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531297220 1067188830 /nfs/dbraw/zinc/18/88/30/1067188830.db2.gz PZYFTZIURCLHHI-UQJRAWQTSA-N 0 0 565.808 4.886 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c(Cl)c1 ZINC001531297233 1067188825 /nfs/dbraw/zinc/18/88/25/1067188825.db2.gz RCOKQWMFTKQNCR-DFZVVERJSA-N 0 0 526.218 4.726 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c(Cl)c1 ZINC001531297234 1067188818 /nfs/dbraw/zinc/18/88/18/1067188818.db2.gz RCOKQWMFTKQNCR-LLBBJIQCSA-N 0 0 526.218 4.726 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(N)=O)c(Br)c1Br ZINC001531297295 1067188809 /nfs/dbraw/zinc/18/88/09/1067188809.db2.gz ZRASQJHXCAGAKN-YPXUMCKCSA-N 0 0 645.146 4.782 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC001531297575 1067188730 /nfs/dbraw/zinc/18/87/30/1067188730.db2.gz JMIRHEYTUVMGTP-IPPBACCNSA-N 0 0 596.309 4.928 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(I)o1 ZINC001531297770 1067188786 /nfs/dbraw/zinc/18/87/86/1067188786.db2.gz QDERQNQINLHTNK-DNTJNYDQSA-N 0 0 565.003 4.954 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)OC(C)C ZINC001531297887 1067188770 /nfs/dbraw/zinc/18/87/70/1067188770.db2.gz YVDGIAVLOQAYPA-PZIWGWIQSA-N 0 0 545.390 4.793 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)OC(C)C ZINC001531297889 1067188735 /nfs/dbraw/zinc/18/87/35/1067188735.db2.gz YVDGIAVLOQAYPA-ZXGJNYTGSA-N 0 0 545.390 4.793 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC001531303145 1067188725 /nfs/dbraw/zinc/18/87/25/1067188725.db2.gz DKOXJSVYADXVDI-BHGWPJFGSA-N 0 0 566.206 4.980 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001531303294 1067189491 /nfs/dbraw/zinc/18/94/91/1067189491.db2.gz LDDSUIBXBMYDHQ-NIWMEASBSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001531303295 1067189385 /nfs/dbraw/zinc/18/93/85/1067189385.db2.gz LDDSUIBXBMYDHQ-RAJWWHQXSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC001531303296 1067189457 /nfs/dbraw/zinc/18/94/57/1067189457.db2.gz LDDSUIBXBMYDHQ-WPSVBWTFSA-N 0 0 545.390 4.793 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC001531303297 1067189539 /nfs/dbraw/zinc/18/95/39/1067189539.db2.gz LDDSUIBXBMYDHQ-ZXMFKWPASA-N 0 0 545.390 4.793 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OC ZINC001531303330 1067189472 /nfs/dbraw/zinc/18/94/72/1067189472.db2.gz BDFXMECPWJVQIQ-OPEKNORGSA-N 0 0 596.232 4.606 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC)c(OC)c1 ZINC001531303357 1067189418 /nfs/dbraw/zinc/18/94/18/1067189418.db2.gz DVSLJLVBCKIKME-LGXUHMPSSA-N 0 0 536.810 4.769 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC)c(OC)c1 ZINC001531303359 1067189427 /nfs/dbraw/zinc/18/94/27/1067189427.db2.gz DVSLJLVBCKIKME-RCMPGLAHSA-N 0 0 536.810 4.769 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(Br)c1 ZINC001531303364 1067189484 /nfs/dbraw/zinc/18/94/84/1067189484.db2.gz FKGVRGGWGPFCCH-BRJLIKDPSA-N 0 0 551.235 4.698 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1O[C@@H](C)C(=O)OC ZINC001531303385 1067189436 /nfs/dbraw/zinc/18/94/36/1067189436.db2.gz GVCAQJTWUHRVMK-NIWMEASBSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1O[C@H](C)C(=O)OC ZINC001531303387 1067189528 /nfs/dbraw/zinc/18/95/28/1067189528.db2.gz GVCAQJTWUHRVMK-RAJWWHQXSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1O[C@H](C)C(=O)OC ZINC001531303389 1067189534 /nfs/dbraw/zinc/18/95/34/1067189534.db2.gz GVCAQJTWUHRVMK-WPSVBWTFSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1O[C@@H](C)C(=O)OC ZINC001531303391 1067189464 /nfs/dbraw/zinc/18/94/64/1067189464.db2.gz GVCAQJTWUHRVMK-ZXMFKWPASA-N 0 0 516.392 4.504 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001531303400 1067189401 /nfs/dbraw/zinc/18/94/01/1067189401.db2.gz SMYMBIJLJIUMPJ-CNBZCNBXSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC001531303401 1067189496 /nfs/dbraw/zinc/18/94/96/1067189496.db2.gz SMYMBIJLJIUMPJ-FBFVKKPCSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC001531303402 1067189941 /nfs/dbraw/zinc/18/99/41/1067189941.db2.gz SMYMBIJLJIUMPJ-GAXZWJJOSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001531303413 1067190035 /nfs/dbraw/zinc/19/00/35/1067190035.db2.gz SMYMBIJLJIUMPJ-OGYCJMONSA-N 0 0 575.416 4.802 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1OCC(=O)OC ZINC001531303417 1067190018 /nfs/dbraw/zinc/19/00/18/1067190018.db2.gz UEJTUTZPBBIREP-PBEVGHANSA-N 0 0 516.392 4.505 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1OCC(=O)OC ZINC001531303418 1067189952 /nfs/dbraw/zinc/18/99/52/1067189952.db2.gz UEJTUTZPBBIREP-WEPAEKJRSA-N 0 0 516.392 4.505 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OCC#N ZINC001531303424 1067189937 /nfs/dbraw/zinc/18/99/37/1067189937.db2.gz URNFLHVYJXYABX-JUCPORTRSA-N 0 0 528.363 4.764 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OCC#N ZINC001531303431 1067189965 /nfs/dbraw/zinc/18/99/65/1067189965.db2.gz URNFLHVYJXYABX-WOLHVBPDSA-N 0 0 528.363 4.764 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OC(C)=O)cc1Br ZINC001531303515 1067189946 /nfs/dbraw/zinc/18/99/46/1067189946.db2.gz LGJAJLJJIPTNOA-BHGWPJFGSA-N 0 0 537.208 4.690 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(=O)OC(C)C ZINC001531303613 1067190027 /nfs/dbraw/zinc/19/00/27/1067190027.db2.gz XVHUFRATGAFNIB-GRJIBALVSA-N 0 0 543.462 4.951 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(=O)OC(C)C ZINC001531303619 1067190030 /nfs/dbraw/zinc/19/00/30/1067190030.db2.gz XVHUFRATGAFNIB-YNCTYVJUSA-N 0 0 543.462 4.951 40 30 KJEBRN C#CCOc1c(OCC)cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC001531303652 1067190038 /nfs/dbraw/zinc/19/00/38/1067190038.db2.gz YUTDWGQVUCCRHN-CVKSISIWSA-N 0 0 527.375 4.703 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCC(=O)N3CCOCC3)cc2)c1C ZINC001531303811 1067189968 /nfs/dbraw/zinc/18/99/68/1067189968.db2.gz QARQOFONGBBUCP-KCSSXMTESA-N 0 0 606.521 4.639 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC(C)=O)c(I)c1 ZINC001531303829 1067189992 /nfs/dbraw/zinc/18/99/92/1067189992.db2.gz SSCUHOLWQMBASL-WYMPLXKRSA-N 0 0 568.209 4.914 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)OC)cc1Br ZINC001531304526 1067189960 /nfs/dbraw/zinc/18/99/60/1067189960.db2.gz HSDKOLWFHUIFMH-RPPGKUMJSA-N 0 0 581.261 4.707 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCC(=O)OC(C)C ZINC001531304540 1067189954 /nfs/dbraw/zinc/18/99/54/1067189954.db2.gz ITFXGHXWUQFDCW-VULFUBBASA-N 0 0 500.393 4.714 40 30 KJEBRN C#CCOc1c(Cl)cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC001531304564 1067190015 /nfs/dbraw/zinc/19/00/15/1067190015.db2.gz JNNTUGVYVAOPIS-WYMPLXKRSA-N 0 0 503.740 4.567 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)OC)c(OCC)c1 ZINC001531304689 1067189995 /nfs/dbraw/zinc/18/99/95/1067189995.db2.gz QXOLXYFZENYSQA-HWDKICEFSA-N 0 0 642.288 4.937 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)OC)c(OCC)c1 ZINC001531304690 1067190023 /nfs/dbraw/zinc/19/00/23/1067190023.db2.gz QXOLXYFZENYSQA-ZKJHFGPLSA-N 0 0 642.288 4.937 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c(Br)c1Br ZINC001531304721 1067190053 /nfs/dbraw/zinc/19/00/53/1067190053.db2.gz XDGXASXGDUYOHK-VFLNYLIXSA-N 0 0 701.210 4.765 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531304766 1067189943 /nfs/dbraw/zinc/18/99/43/1067189943.db2.gz ZTKZMBYBRRAENA-NIWMEASBSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531304769 1067190857 /nfs/dbraw/zinc/19/08/57/1067190857.db2.gz ZTKZMBYBRRAENA-RAJWWHQXSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531304771 1067190776 /nfs/dbraw/zinc/19/07/76/1067190776.db2.gz ZTKZMBYBRRAENA-WPSVBWTFSA-N 0 0 516.392 4.504 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531304773 1067190830 /nfs/dbraw/zinc/19/08/30/1067190830.db2.gz ZTKZMBYBRRAENA-ZXMFKWPASA-N 0 0 516.392 4.504 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)N2CCOCC2)c(Br)c1 ZINC001531309696 1067190838 /nfs/dbraw/zinc/19/08/38/1067190838.db2.gz BDHHDYGLBRWOOI-XODNFHPESA-N 0 0 626.733 4.647 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(CC(=O)OC)c2ccccc12 ZINC001531309862 1067190709 /nfs/dbraw/zinc/19/07/09/1067190709.db2.gz JVAIHSYZMPTGBK-OWAQKBPCSA-N 0 0 509.404 4.991 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(CC(=O)OC)c2ccccc12 ZINC001531309865 1067190769 /nfs/dbraw/zinc/19/07/69/1067190769.db2.gz JVAIHSYZMPTGBK-QJXMJWHHSA-N 0 0 509.404 4.991 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OC ZINC001531309912 1067190726 /nfs/dbraw/zinc/19/07/26/1067190726.db2.gz NHVUPRBMAMWZEP-LPUHGPTISA-N 0 0 596.232 4.777 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OC ZINC001531309913 1067190817 /nfs/dbraw/zinc/19/08/17/1067190817.db2.gz NHVUPRBMAMWZEP-LUKCILAXSA-N 0 0 596.232 4.777 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC001531309914 1067190798 /nfs/dbraw/zinc/19/07/98/1067190798.db2.gz NHVZBVPWPAFATM-OKCVXOCRSA-N 0 0 605.917 4.674 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC001531310101 1067190847 /nfs/dbraw/zinc/19/08/47/1067190847.db2.gz RGKWBIHORSQYEZ-RPPGKUMJSA-N 0 0 581.261 4.707 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC(C)C)c(OC)c1 ZINC001531310259 1067190864 /nfs/dbraw/zinc/19/08/64/1067190864.db2.gz WYIAZQCXQKJPQB-GOQVHDTASA-N 0 0 560.445 4.902 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC(C)C)c(OC)c1 ZINC001531310260 1067190781 /nfs/dbraw/zinc/19/07/81/1067190781.db2.gz WYIAZQCXQKJPQB-UVHCEKQDSA-N 0 0 560.445 4.902 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OCC)c(OCC)c1 ZINC001531310276 1067190811 /nfs/dbraw/zinc/19/08/11/1067190811.db2.gz PYXVTCFJTVUPQY-JFLMPSFJSA-N 0 0 530.419 4.724 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c(Cl)c1 ZINC001531310287 1067190743 /nfs/dbraw/zinc/19/07/43/1067190743.db2.gz YLYSWEZVRCRESY-NSKAYECMSA-N 0 0 526.218 4.555 40 30 KJEBRN C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@H](C)C(=O)OC ZINC001531310440 1067190788 /nfs/dbraw/zinc/19/07/88/1067190788.db2.gz WDIDNUOHLVIOHK-NEZLHVBRSA-N 0 0 542.430 4.671 40 30 KJEBRN C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@@H](C)C(=O)OC ZINC001531310442 1067190804 /nfs/dbraw/zinc/19/08/04/1067190804.db2.gz WDIDNUOHLVIOHK-SSVJFZKPSA-N 0 0 542.430 4.671 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c(Br)c1 ZINC001531310469 1067191329 /nfs/dbraw/zinc/19/13/29/1067191329.db2.gz WRVXHNAILGYBRC-XODNFHPESA-N 0 0 671.184 4.756 40 30 KJEBRN CCOC(=O)COc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OCC ZINC001531311740 1067191258 /nfs/dbraw/zinc/19/12/58/1067191258.db2.gz COTRXUBHPWVHMT-JZNDDVEWSA-N 0 0 530.419 4.895 40 30 KJEBRN CCOC(=O)COc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OCC ZINC001531311743 1067191286 /nfs/dbraw/zinc/19/12/86/1067191286.db2.gz COTRXUBHPWVHMT-NKZWWHGNSA-N 0 0 530.419 4.895 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC#N ZINC001531311751 1067191339 /nfs/dbraw/zinc/19/13/39/1067191339.db2.gz CQDVELMSEUOLRM-BHGWPJFGSA-N 0 0 549.179 4.567 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1O[C@H](C)C(=O)OC ZINC001531311943 1067191325 /nfs/dbraw/zinc/19/13/25/1067191325.db2.gz JHBJDGDAMSUDFV-QYYVIKQZSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1O[C@H](C)C(=O)OC ZINC001531311944 1067191313 /nfs/dbraw/zinc/19/13/13/1067191313.db2.gz JHBJDGDAMSUDFV-RRIAJIOSSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1O[C@@H](C)C(=O)OC ZINC001531311945 1067191279 /nfs/dbraw/zinc/19/12/79/1067191279.db2.gz JHBJDGDAMSUDFV-UFGRHXGHSA-N 0 0 530.419 4.894 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1O[C@@H](C)C(=O)OC ZINC001531311946 1067191297 /nfs/dbraw/zinc/19/12/97/1067191297.db2.gz JHBJDGDAMSUDFV-XRCCGLOXSA-N 0 0 530.419 4.894 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)OC ZINC001531311994 1067191271 /nfs/dbraw/zinc/19/12/71/1067191271.db2.gz LIOFGKYHTTVNGF-RPPGKUMJSA-N 0 0 581.261 4.707 40 30 KJEBRN C#CCOc1ccc(Br)cc1/C=N/n1c(CCC)nc2ccc(Br)cc2c1=O ZINC001531312309 1067191292 /nfs/dbraw/zinc/19/12/92/1067191292.db2.gz RKIHSGXSVNFBPL-ZMOGYAJESA-N 0 0 503.194 4.768 40 30 KJEBRN C#CCOc1c(Br)cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC001531312366 1067191350 /nfs/dbraw/zinc/19/13/50/1067191350.db2.gz VNBISLAWDBZCMM-WYMPLXKRSA-N 0 0 548.191 4.676 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OC(C)=O ZINC001531317431 1067191308 /nfs/dbraw/zinc/19/13/08/1067191308.db2.gz JCKJHZFKJRSRDR-FOKLQQMPSA-N 0 0 507.182 4.682 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC#N)cc1Br ZINC001531317744 1067191283 /nfs/dbraw/zinc/19/12/83/1067191283.db2.gz PZWVHHQIGVMRKG-BRJLIKDPSA-N 0 0 534.208 4.667 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC001531317772 1067191290 /nfs/dbraw/zinc/19/12/90/1067191290.db2.gz SWIJTRRUCMJILL-CQZTYCMPSA-N 0 0 560.445 4.902 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC001531317773 1067191347 /nfs/dbraw/zinc/19/13/47/1067191347.db2.gz SWIJTRRUCMJILL-HCMVPMCOSA-N 0 0 560.445 4.902 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1OC ZINC001531317774 1067191336 /nfs/dbraw/zinc/19/13/36/1067191336.db2.gz SWIJTRRUCMJILL-OLVSFFJFSA-N 0 0 560.445 4.902 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OC ZINC001531317775 1067191886 /nfs/dbraw/zinc/19/18/86/1067191886.db2.gz SWIJTRRUCMJILL-YHHORUTKSA-N 0 0 560.445 4.902 40 30 KJEBRN C=CCOc1c(OC)cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC001531318274 1067191899 /nfs/dbraw/zinc/19/18/99/1067191899.db2.gz CNAJUTZHSFZEML-AFUMVMLFSA-N 0 0 515.364 4.865 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(N)=O)c(Cl)c1Br ZINC001531318295 1067191880 /nfs/dbraw/zinc/19/18/80/1067191880.db2.gz FXOCKEHETYSRCI-YPXUMCKCSA-N 0 0 600.695 4.672 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCC(N)=O ZINC001531318299 1067191965 /nfs/dbraw/zinc/19/19/65/1067191965.db2.gz GQDOYJSRFYANGF-DFZVVERJSA-N 0 0 570.669 4.835 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCC(N)=O ZINC001531318300 1067191971 /nfs/dbraw/zinc/19/19/71/1067191971.db2.gz GQDOYJSRFYANGF-LLBBJIQCSA-N 0 0 570.669 4.835 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1 ZINC001531318301 1067191877 /nfs/dbraw/zinc/19/18/77/1067191877.db2.gz GSFXYZVAFPAATA-MWZGVZDOSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1 ZINC001531318302 1067191861 /nfs/dbraw/zinc/19/18/61/1067191861.db2.gz GSFXYZVAFPAATA-NUTJXVTOSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1 ZINC001531318303 1067191921 /nfs/dbraw/zinc/19/19/21/1067191921.db2.gz GSFXYZVAFPAATA-PHTPLWDTSA-N 0 0 500.393 4.885 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1 ZINC001531318304 1067191913 /nfs/dbraw/zinc/19/19/13/1067191913.db2.gz GSFXYZVAFPAATA-QZJQTBSDSA-N 0 0 500.393 4.885 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OC(C)C)c([N+](=O)[O-])c1 ZINC001531318338 1067191979 /nfs/dbraw/zinc/19/19/79/1067191979.db2.gz KAYLTRWWKXPPNM-WYMPLXKRSA-N 0 0 503.353 4.698 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC001531318348 1067191957 /nfs/dbraw/zinc/19/19/57/1067191957.db2.gz KGIDIGQVKWOOSL-DFZVVERJSA-N 0 0 615.120 4.944 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC001531318351 1067191948 /nfs/dbraw/zinc/19/19/48/1067191948.db2.gz KGIDIGQVKWOOSL-LLBBJIQCSA-N 0 0 615.120 4.944 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531318405 1067191895 /nfs/dbraw/zinc/19/18/95/1067191895.db2.gz NEYIKFAIONFYLP-CNBZCNBXSA-N 0 0 546.418 4.512 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531318410 1067191848 /nfs/dbraw/zinc/19/18/48/1067191848.db2.gz NEYIKFAIONFYLP-FBFVKKPCSA-N 0 0 546.418 4.512 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531318413 1067191872 /nfs/dbraw/zinc/19/18/72/1067191872.db2.gz NEYIKFAIONFYLP-GAXZWJJOSA-N 0 0 546.418 4.512 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531318415 1067191940 /nfs/dbraw/zinc/19/19/40/1067191940.db2.gz NEYIKFAIONFYLP-OGYCJMONSA-N 0 0 546.418 4.512 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1O[C@H](C)C(=O)OCC ZINC001531318418 1067192456 /nfs/dbraw/zinc/19/24/56/1067192456.db2.gz NIVLVIFOIZKKSQ-WJGWSCHNSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1O[C@@H](C)C(=O)OCC ZINC001531318578 1067192524 /nfs/dbraw/zinc/19/25/24/1067192524.db2.gz NIVLVIFOIZKKSQ-ZXSUQFSISA-N 0 0 530.419 4.723 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c(I)c1 ZINC001531318624 1067192431 /nfs/dbraw/zinc/19/24/31/1067192431.db2.gz OXKWVMKVDMGKSI-CJCQAYSXSA-N 0 0 598.235 4.539 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c(I)c1 ZINC001531318627 1067192506 /nfs/dbraw/zinc/19/25/06/1067192506.db2.gz OXKWVMKVDMGKSI-XIXVAHAYSA-N 0 0 598.235 4.539 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531318659 1067192441 /nfs/dbraw/zinc/19/24/41/1067192441.db2.gz PPWBYJWLCATFEI-LPUHGPTISA-N 0 0 596.232 4.777 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531318661 1067192463 /nfs/dbraw/zinc/19/24/63/1067192463.db2.gz PPWBYJWLCATFEI-LUKCILAXSA-N 0 0 596.232 4.777 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)OCC ZINC001531318694 1067192399 /nfs/dbraw/zinc/19/23/99/1067192399.db2.gz RFGPXHAKSYSOKM-RPPGKUMJSA-N 0 0 610.259 4.996 40 30 KJEBRN C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531318702 1067192481 /nfs/dbraw/zinc/19/24/81/1067192481.db2.gz SMEWVCLNNDXTSP-HMNPYCRMSA-N 0 0 597.510 4.529 40 30 KJEBRN C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531318703 1067192372 /nfs/dbraw/zinc/19/23/72/1067192372.db2.gz SMEWVCLNNDXTSP-LVGRRZFUSA-N 0 0 597.510 4.529 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(I)c1 ZINC001531318721 1067192411 /nfs/dbraw/zinc/19/24/11/1067192411.db2.gz VDXFMTKTQMRPIZ-BRJLIKDPSA-N 0 0 598.235 4.540 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC001531318757 1067192497 /nfs/dbraw/zinc/19/24/97/1067192497.db2.gz YWVCCHRVPWJHKQ-MZJWZYIUSA-N 0 0 575.416 4.633 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@H](C)C(=O)OCC ZINC001531319228 1067192489 /nfs/dbraw/zinc/19/24/89/1067192489.db2.gz HENLKFIFKSDZPI-HWDKICEFSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)OCC ZINC001531319229 1067192421 /nfs/dbraw/zinc/19/24/21/1067192421.db2.gz HENLKFIFKSDZPI-ZKJHFGPLSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC)c([N+](=O)[O-])c1 ZINC001531319278 1067192415 /nfs/dbraw/zinc/19/24/15/1067192415.db2.gz OIOCZAAKVIHHNK-ZMOGYAJESA-N 0 0 503.353 4.699 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@@H](C)C(=O)OCC ZINC001531319386 1067192394 /nfs/dbraw/zinc/19/23/94/1067192394.db2.gz OXKLSFZSFGPAKQ-JUCPORTRSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@H](C)C(=O)OCC ZINC001531319387 1067192427 /nfs/dbraw/zinc/19/24/27/1067192427.db2.gz OXKLSFZSFGPAKQ-WOLHVBPDSA-N 0 0 520.811 4.978 40 30 KJEBRN C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC001531319388 1067192405 /nfs/dbraw/zinc/19/24/05/1067192405.db2.gz OZAHUKWGCCDVPC-BIZUNTBRSA-N 0 0 611.537 4.749 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)OC ZINC001531319462 1067192889 /nfs/dbraw/zinc/19/28/89/1067192889.db2.gz WQFXJSVTTPCKDR-LGXUHMPSSA-N 0 0 581.261 4.878 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)OC ZINC001531319463 1067192945 /nfs/dbraw/zinc/19/29/45/1067192945.db2.gz WQFXJSVTTPCKDR-RCMPGLAHSA-N 0 0 581.261 4.878 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 ZINC001531325239 1067192970 /nfs/dbraw/zinc/19/29/70/1067192970.db2.gz BTUKYZDXOSCLHU-KXVDBBMMSA-N 0 0 606.315 4.555 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 ZINC001531325240 1067192961 /nfs/dbraw/zinc/19/29/61/1067192961.db2.gz BTUKYZDXOSCLHU-WBBAFLOHSA-N 0 0 606.315 4.555 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC001531325246 1067192903 /nfs/dbraw/zinc/19/29/03/1067192903.db2.gz CZUOEYOURGNZJJ-LGJNPRDNSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531325263 1067192914 /nfs/dbraw/zinc/19/29/14/1067192914.db2.gz GNBOKLPTHFYJCQ-SUZBBLJPSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531325264 1067192924 /nfs/dbraw/zinc/19/29/24/1067192924.db2.gz GNBOKLPTHFYJCQ-UQJRAWQTSA-N 0 0 565.808 4.886 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@H](C)C(=O)OC ZINC001531325266 1067192937 /nfs/dbraw/zinc/19/29/37/1067192937.db2.gz GWLIFCMDGIBTCR-SUZBBLJPSA-N 0 0 536.810 4.596 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)OC ZINC001531325267 1067192894 /nfs/dbraw/zinc/19/28/94/1067192894.db2.gz GWLIFCMDGIBTCR-UQJRAWQTSA-N 0 0 536.810 4.596 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(CC(=O)N2CCOCC2)c2ccccc12 ZINC001531325286 1067192974 /nfs/dbraw/zinc/19/29/74/1067192974.db2.gz JFZYAEISKAMEKP-AASYHSMQSA-N 0 0 564.484 4.677 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(CC(=O)N2CCOCC2)c2ccccc12 ZINC001531325287 1067192919 /nfs/dbraw/zinc/19/29/19/1067192919.db2.gz JFZYAEISKAMEKP-PCHPKZPRSA-N 0 0 564.484 4.677 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC001531325294 1067192909 /nfs/dbraw/zinc/19/29/09/1067192909.db2.gz KUJMGWMQXFVGBZ-LGXUHMPSSA-N 0 0 581.261 4.878 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC001531325295 1067192980 /nfs/dbraw/zinc/19/29/80/1067192980.db2.gz KUJMGWMQXFVGBZ-RCMPGLAHSA-N 0 0 581.261 4.878 40 30 KJEBRN C#CCOc1c(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(Br)cc1[N+](=O)[O-] ZINC001531325304 1067192898 /nfs/dbraw/zinc/19/28/98/1067192898.db2.gz NJVDLFHCLVSSAY-WYMPLXKRSA-N 0 0 548.191 4.676 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC001531325331 1067192879 /nfs/dbraw/zinc/19/28/79/1067192879.db2.gz NWHAEZXQPFJTJL-RWPZCVJISA-N 0 0 564.396 4.919 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC#N)c(Br)c1 ZINC001531325460 1067192942 /nfs/dbraw/zinc/19/29/42/1067192942.db2.gz QOHIPESDAZWVNI-WYMPLXKRSA-N 0 0 504.182 4.659 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC#N)c([N+](=O)[O-])c1 ZINC001531325601 1067193504 /nfs/dbraw/zinc/19/35/04/1067193504.db2.gz WVPMKDQNXSRBDP-VULFUBBASA-N 0 0 528.363 4.593 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC001531325621 1067193454 /nfs/dbraw/zinc/19/34/54/1067193454.db2.gz XPBFZNWCTHFBLR-RPPGKUMJSA-N 0 0 610.259 4.996 40 30 KJEBRN C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCC(=O)OC ZINC001531326133 1067193436 /nfs/dbraw/zinc/19/34/36/1067193436.db2.gz AFBFMFQNJSEISJ-KXVDBBMMSA-N 0 0 542.430 4.844 40 30 KJEBRN C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1OCC(=O)OC ZINC001531326134 1067193450 /nfs/dbraw/zinc/19/34/50/1067193450.db2.gz AFBFMFQNJSEISJ-WBBAFLOHSA-N 0 0 542.430 4.844 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(Cl)c1 ZINC001531326439 1067193513 /nfs/dbraw/zinc/19/35/13/1067193513.db2.gz AJYYJORTAFCXCB-BRJLIKDPSA-N 0 0 506.784 4.589 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCC(=O)OCC ZINC001531326497 1067193431 /nfs/dbraw/zinc/19/34/31/1067193431.db2.gz LCACSSQTRWYSQS-LGJNPRDNSA-N 0 0 520.811 4.979 40 30 KJEBRN C#CCOc1c(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(Cl)cc1[N+](=O)[O-] ZINC001531326568 1067193527 /nfs/dbraw/zinc/19/35/27/1067193527.db2.gz HENJRVJTTCDRIR-WYMPLXKRSA-N 0 0 503.740 4.567 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@@H](C)C(=O)OC ZINC001531326740 1067193535 /nfs/dbraw/zinc/19/35/35/1067193535.db2.gz UHHMCPIUAHHFLG-JUCPORTRSA-N 0 0 520.811 4.978 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@H](C)C(=O)OC ZINC001531326745 1067193464 /nfs/dbraw/zinc/19/34/64/1067193464.db2.gz UHHMCPIUAHHFLG-WOLHVBPDSA-N 0 0 520.811 4.978 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OC ZINC001531326757 1067193501 /nfs/dbraw/zinc/19/35/01/1067193501.db2.gz QFKDAWXYXGJIJP-LFWZTCNZSA-N 0 0 503.353 4.870 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OC ZINC001531326762 1067193509 /nfs/dbraw/zinc/19/35/09/1067193509.db2.gz QFKDAWXYXGJIJP-ZGUVFNMESA-N 0 0 503.353 4.870 40 30 KJEBRN C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)OCC ZINC001531326862 1067193489 /nfs/dbraw/zinc/19/34/89/1067193489.db2.gz SLYDMEVEDBZXIX-RWPZCVJISA-N 0 0 542.430 4.673 40 30 KJEBRN CCOC(=O)COc1c(OCC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001531326966 1067193459 /nfs/dbraw/zinc/19/34/59/1067193459.db2.gz YWFCJXWEVWYVAX-OWAQKBPCSA-N 0 0 575.416 4.804 40 30 KJEBRN CCOC(=O)COc1c(OCC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC001531326970 1067194098 /nfs/dbraw/zinc/19/40/98/1067194098.db2.gz YWFCJXWEVWYVAX-QJXMJWHHSA-N 0 0 575.416 4.804 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)OC(C)C ZINC001531327030 1067194031 /nfs/dbraw/zinc/19/40/31/1067194031.db2.gz VNBFIKNXRZCQDR-MZJWZYIUSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC001531327073 1067194105 /nfs/dbraw/zinc/19/41/05/1067194105.db2.gz XIUFKBUUVDQZND-BHGWPJFGSA-N 0 0 521.755 4.871 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)n(CC(=O)OC)c2ccccc12 ZINC001531329131 1067194027 /nfs/dbraw/zinc/19/40/27/1067194027.db2.gz FWYQCFJLHMOTTR-MZJWZYIUSA-N 0 0 509.404 4.820 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)OC)c(OCC)c1 ZINC001531329295 1067194077 /nfs/dbraw/zinc/19/40/77/1067194077.db2.gz PBNDXELGAGHPEM-HWDKICEFSA-N 0 0 550.837 4.986 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)OC)c(OCC)c1 ZINC001531329296 1067194047 /nfs/dbraw/zinc/19/40/47/1067194047.db2.gz PBNDXELGAGHPEM-ZKJHFGPLSA-N 0 0 550.837 4.986 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(Br)c1Br ZINC001531329301 1067194072 /nfs/dbraw/zinc/19/40/72/1067194072.db2.gz QEVONNPHSVPDCE-AZLHWDLWSA-N 0 0 645.146 4.952 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(Br)c1Br ZINC001531329302 1067194037 /nfs/dbraw/zinc/19/40/37/1067194037.db2.gz QEVONNPHSVPDCE-VBEVILIGSA-N 0 0 645.146 4.952 40 30 KJEBRN C=CCc1cc(/C=N/n2c([C@@H](C)CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(N)=O ZINC001531329305 1067194060 /nfs/dbraw/zinc/19/40/60/1067194060.db2.gz QMXYOEFIODCYSB-BRQOLZEGSA-N 0 0 541.446 4.546 40 30 KJEBRN C=CCc1cc(/C=N/n2c([C@H](C)CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(N)=O ZINC001531329306 1067194092 /nfs/dbraw/zinc/19/40/92/1067194092.db2.gz QMXYOEFIODCYSB-ZJIVOUCISA-N 0 0 541.446 4.546 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC)cc1Br ZINC001531329464 1067194069 /nfs/dbraw/zinc/19/40/69/1067194069.db2.gz WPVURAKSJHQYFE-LGXUHMPSSA-N 0 0 581.261 4.878 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC)cc1Br ZINC001531329466 1067194005 /nfs/dbraw/zinc/19/40/05/1067194005.db2.gz WPVURAKSJHQYFE-RCMPGLAHSA-N 0 0 581.261 4.878 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001531329473 1067194053 /nfs/dbraw/zinc/19/40/53/1067194053.db2.gz XIHOXOQHGIKKQD-KBKYJPHKSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@H](C)C(=O)OC ZINC001531332017 1067194081 /nfs/dbraw/zinc/19/40/81/1067194081.db2.gz AOUIUEHVYPGZPP-CJCQAYSXSA-N 0 0 551.235 4.697 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@@H](C)C(=O)OC ZINC001531332018 1067193995 /nfs/dbraw/zinc/19/39/95/1067193995.db2.gz AOUIUEHVYPGZPP-XIXVAHAYSA-N 0 0 551.235 4.697 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(I)c1OCC(=O)N1CCOCC1 ZINC001531332030 1067194013 /nfs/dbraw/zinc/19/40/13/1067194013.db2.gz BMVKGLUXMUZXKZ-UVPDUMAMSA-N 0 0 697.368 4.796 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(I)c1OCC(=O)N1CCOCC1 ZINC001531332032 1067194065 /nfs/dbraw/zinc/19/40/65/1067194065.db2.gz BMVKGLUXMUZXKZ-ZTCTXGLISA-N 0 0 697.368 4.796 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1O[C@@H](C)C(=O)OCC ZINC001531332184 1067194086 /nfs/dbraw/zinc/19/40/86/1067194086.db2.gz MBFKZCUJMJGHKE-SSGLAOATSA-N 0 0 543.462 4.780 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1O[C@H](C)C(=O)OCC ZINC001531332185 1067194020 /nfs/dbraw/zinc/19/40/20/1067194020.db2.gz MBFKZCUJMJGHKE-TXMABLNQSA-N 0 0 543.462 4.780 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(Cl)c1Br ZINC001531332204 1067194569 /nfs/dbraw/zinc/19/45/69/1067194569.db2.gz NFUFGKNRUYEKJO-YPXUMCKCSA-N 0 0 600.695 4.672 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)OCC ZINC001531332663 1067194489 /nfs/dbraw/zinc/19/44/89/1067194489.db2.gz SCQLYOAWZZPQGF-UVHMKAGCSA-N 0 0 550.837 4.988 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCC(=O)OC)cc2)c1C ZINC001531332692 1067194579 /nfs/dbraw/zinc/19/45/79/1067194579.db2.gz SNKAZUSETFBCBE-WKULSOCRSA-N 0 0 551.441 4.953 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)c(OC)c1 ZINC001531332741 1067194465 /nfs/dbraw/zinc/19/44/65/1067194465.db2.gz TZHFNIKWSHEQKH-MZJWZYIUSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)OC ZINC001531332817 1067194575 /nfs/dbraw/zinc/19/45/75/1067194575.db2.gz VGQNBMUZZHSZGS-BRJLIKDPSA-N 0 0 551.235 4.698 40 30 KJEBRN CCOC(=O)COc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1OC ZINC001531332857 1067194470 /nfs/dbraw/zinc/19/44/70/1067194470.db2.gz VODDWNJNRSTKAT-PBEVGHANSA-N 0 0 516.392 4.505 40 30 KJEBRN CCOC(=O)COc1c(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cccc1OC ZINC001531332858 1067194565 /nfs/dbraw/zinc/19/45/65/1067194565.db2.gz VODDWNJNRSTKAT-WEPAEKJRSA-N 0 0 516.392 4.505 40 30 KJEBRN C#CCOc1c(OCC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001531332903 1067194550 /nfs/dbraw/zinc/19/45/50/1067194550.db2.gz ZCHLWWBIEAVKCO-IXORVSQSSA-N 0 0 527.375 4.874 40 30 KJEBRN C#CCOc1c(OCC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC001531332906 1067194445 /nfs/dbraw/zinc/19/44/45/1067194445.db2.gz ZCHLWWBIEAVKCO-NXYZXBHKSA-N 0 0 527.375 4.874 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCC(=O)OC(C)C)c1 ZINC001531333089 1067194505 /nfs/dbraw/zinc/19/45/05/1067194505.db2.gz AYYUURVASDCRBE-NLOAGFHQSA-N 0 0 500.393 4.885 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCC(=O)OC(C)C)c1 ZINC001531333096 1067194454 /nfs/dbraw/zinc/19/44/54/1067194454.db2.gz AYYUURVASDCRBE-PASSITCSSA-N 0 0 500.393 4.885 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc2c(cc1Br)OCO2 ZINC001531333335 1067194533 /nfs/dbraw/zinc/19/45/33/1067194533.db2.gz HBBMGWBMBAPBME-AUEPDCJTSA-N 0 0 507.182 4.875 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c(Cl)c1 ZINC001531333390 1067194545 /nfs/dbraw/zinc/19/45/45/1067194545.db2.gz LJWBCSMCMSJIJL-CJCQAYSXSA-N 0 0 506.784 4.587 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c(Cl)c1 ZINC001531333391 1067194498 /nfs/dbraw/zinc/19/44/98/1067194498.db2.gz LJWBCSMCMSJIJL-XIXVAHAYSA-N 0 0 506.784 4.587 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001531333397 1067194585 /nfs/dbraw/zinc/19/45/85/1067194585.db2.gz MCDOXXORMBFUBV-LGJNPRDNSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)OCC ZINC001531333435 1067194459 /nfs/dbraw/zinc/19/44/59/1067194459.db2.gz PYGADFYNGQDRSV-RPPGKUMJSA-N 0 0 536.810 4.598 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC001531333450 1067194525 /nfs/dbraw/zinc/19/45/25/1067194525.db2.gz RHHVAEPUZGWHPO-ITSLKUJBSA-N 0 0 543.462 4.951 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC001531333452 1067194484 /nfs/dbraw/zinc/19/44/84/1067194484.db2.gz RHHVAEPUZGWHPO-JBUWZOIISA-N 0 0 543.462 4.951 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC001531333454 1067195099 /nfs/dbraw/zinc/19/50/99/1067195099.db2.gz RHHVAEPUZGWHPO-SOQMIUECSA-N 0 0 543.462 4.951 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=N/n1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC001531333456 1067195021 /nfs/dbraw/zinc/19/50/21/1067195021.db2.gz RHHVAEPUZGWHPO-UYXPTBCOSA-N 0 0 543.462 4.951 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCC(=O)OC(C)C)c1 ZINC001531336868 1067195058 /nfs/dbraw/zinc/19/50/58/1067195058.db2.gz DOWVZNXLYQBAPI-VULFUBBASA-N 0 0 500.393 4.714 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC001531337271 1067195045 /nfs/dbraw/zinc/19/50/45/1067195045.db2.gz RKUXNJDTLFEKBN-BTQGWNRHSA-N 0 0 596.232 4.605 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC001531337272 1067195004 /nfs/dbraw/zinc/19/50/04/1067195004.db2.gz RKUXNJDTLFEKBN-JBBSTVMTSA-N 0 0 596.232 4.605 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(Br)c1OCC(=O)N1CCOCC1 ZINC001531337328 1067195088 /nfs/dbraw/zinc/19/50/88/1067195088.db2.gz YCSVWGDYEVDXIJ-UVPDUMAMSA-N 0 0 650.368 4.954 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(Br)c1OCC(=O)N1CCOCC1 ZINC001531337329 1067195016 /nfs/dbraw/zinc/19/50/16/1067195016.db2.gz YCSVWGDYEVDXIJ-ZTCTXGLISA-N 0 0 650.368 4.954 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)OC)cc1Br ZINC001531337333 1067195039 /nfs/dbraw/zinc/19/50/39/1067195039.db2.gz YNAVGPQYUOMUQU-SUZBBLJPSA-N 0 0 581.261 4.705 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)OC)cc1Br ZINC001531337334 1067195079 /nfs/dbraw/zinc/19/50/79/1067195079.db2.gz YNAVGPQYUOMUQU-UQJRAWQTSA-N 0 0 581.261 4.705 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C ZINC001531339316 1067195084 /nfs/dbraw/zinc/19/50/84/1067195084.db2.gz GELZTVPSUOUPBY-JFLMPSFJSA-N 0 0 506.404 4.796 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OCC)c(OCC)c1 ZINC001531339381 1067195120 /nfs/dbraw/zinc/19/51/20/1067195120.db2.gz LZHJTXXUUUQYRO-UVHMKAGCSA-N 0 0 642.288 4.939 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531339406 1067195072 /nfs/dbraw/zinc/19/50/72/1067195072.db2.gz MSQPVEDASVLOTA-FYDYWCEBSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531339409 1067195092 /nfs/dbraw/zinc/19/50/92/1067195092.db2.gz MSQPVEDASVLOTA-PJAVDKHJSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)OC(C)C ZINC001531339424 1067195035 /nfs/dbraw/zinc/19/50/35/1067195035.db2.gz NLKXMEGIVMJUMG-LGJNPRDNSA-N 0 0 545.390 4.622 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c(OCC)c1 ZINC001531339492 1067195651 /nfs/dbraw/zinc/19/56/51/1067195651.db2.gz QHAQODSUFVGITE-WJGWSCHNSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c(OCC)c1 ZINC001531339493 1067195557 /nfs/dbraw/zinc/19/55/57/1067195557.db2.gz QHAQODSUFVGITE-ZXSUQFSISA-N 0 0 530.419 4.723 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC(C)C)c(OC)c1 ZINC001531339509 1067195547 /nfs/dbraw/zinc/19/55/47/1067195547.db2.gz RVVUMNRAQNKLDK-CCVNUDIWSA-N 0 0 560.445 4.731 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC001531339511 1067195606 /nfs/dbraw/zinc/19/56/06/1067195606.db2.gz SGPJVTWQUQCRSD-OKCVXOCRSA-N 0 0 697.368 4.625 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c(Cl)c1Br ZINC001531339517 1067195541 /nfs/dbraw/zinc/19/55/41/1067195541.db2.gz SXOKBEMZSUXUHL-VFLNYLIXSA-N 0 0 656.759 4.656 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC)c(Cl)c1 ZINC001531339557 1067195635 /nfs/dbraw/zinc/19/56/35/1067195635.db2.gz YIDKREBIKBPXJX-KIBLKLHPSA-N 0 0 527.202 4.852 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OC(C)=O)c(OC)c1 ZINC001531339561 1067195618 /nfs/dbraw/zinc/19/56/18/1067195618.db2.gz ZIXRBMADFDJHNR-BRJLIKDPSA-N 0 0 598.235 4.922 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(Br)c1 ZINC001531340536 1067195645 /nfs/dbraw/zinc/19/56/45/1067195645.db2.gz HISJUXPYICVUFM-BTIIEKFUSA-N 0 0 551.235 4.869 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(Br)c1 ZINC001531340538 1067195590 /nfs/dbraw/zinc/19/55/90/1067195590.db2.gz HISJUXPYICVUFM-OBPDLJBASA-N 0 0 551.235 4.869 40 30 KJEBRN C#CCOc1ccc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc1Br ZINC001531340567 1067195629 /nfs/dbraw/zinc/19/56/29/1067195629.db2.gz JLQLQQQBELVLCB-ZMOGYAJESA-N 0 0 503.194 4.768 40 30 KJEBRN CCOc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1[N+](=O)[O-] ZINC001531340573 1067195647 /nfs/dbraw/zinc/19/56/47/1067195647.db2.gz KAQCRSRZXCIQML-LFWZTCNZSA-N 0 0 503.353 4.870 40 30 KJEBRN CCOc1c(OC)cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001531340575 1067195584 /nfs/dbraw/zinc/19/55/84/1067195584.db2.gz KAQCRSRZXCIQML-ZGUVFNMESA-N 0 0 503.353 4.870 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OC(C)=O)c(OCC)c1 ZINC001531340890 1067195571 /nfs/dbraw/zinc/19/55/71/1067195571.db2.gz RAYNARQIPIGUIU-BRJLIKDPSA-N 0 0 598.235 4.922 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCC(=O)OC ZINC001531340925 1067195575 /nfs/dbraw/zinc/19/55/75/1067195575.db2.gz YGAHTCFDCXYHGI-KIBLKLHPSA-N 0 0 571.653 4.961 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001531342767 1067195613 /nfs/dbraw/zinc/19/56/13/1067195613.db2.gz LGZNLUDFHCHEKZ-WKULSOCRSA-N 0 0 594.422 4.928 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCC(N)=O)cc2)c1C ZINC001531342804 1067195567 /nfs/dbraw/zinc/19/55/67/1067195567.db2.gz NMMVBNZCNHKFSP-WGNGTQIVSA-N 0 0 550.457 4.826 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCC(N)=O)cc2)c1C ZINC001531342808 1067195640 /nfs/dbraw/zinc/19/56/40/1067195640.db2.gz NMMVBNZCNHKFSP-ZNIRGWDNSA-N 0 0 550.457 4.826 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c(Br)cc1OCC(N)=O ZINC001531342909 1067196184 /nfs/dbraw/zinc/19/61/84/1067196184.db2.gz OSDAURNPIAKOIG-OZHCYYCFSA-N 0 0 580.277 4.580 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)c(Br)cc1OCC(N)=O ZINC001531342910 1067196178 /nfs/dbraw/zinc/19/61/78/1067196178.db2.gz OSDAURNPIAKOIG-VHAYKOJPSA-N 0 0 580.277 4.580 40 30 KJEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(Cl)c1Br ZINC001531342972 1067196146 /nfs/dbraw/zinc/19/61/46/1067196146.db2.gz WGWRVTUPEOTYOX-AZLHWDLWSA-N 0 0 600.695 4.843 40 30 KJEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)c(Cl)c1Br ZINC001531342973 1067196175 /nfs/dbraw/zinc/19/61/75/1067196175.db2.gz WGWRVTUPEOTYOX-VBEVILIGSA-N 0 0 600.695 4.843 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531342985 1067196140 /nfs/dbraw/zinc/19/61/40/1067196140.db2.gz XZCZVRDRQUJEHO-SUZBBLJPSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)OCC)c([N+](=O)[O-])c1 ZINC001531342986 1067196164 /nfs/dbraw/zinc/19/61/64/1067196164.db2.gz XZCZVRDRQUJEHO-UQJRAWQTSA-N 0 0 610.259 4.995 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OCC)c(OCC)c1 ZINC001531342991 1067196131 /nfs/dbraw/zinc/19/61/31/1067196131.db2.gz YELRYSBZNUHOSJ-WJGWSCHNSA-N 0 0 530.419 4.723 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OCC)c(OCC)c1 ZINC001531342992 1067196153 /nfs/dbraw/zinc/19/61/53/1067196153.db2.gz YELRYSBZNUHOSJ-ZXSUQFSISA-N 0 0 530.419 4.723 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c(Br)c1 ZINC001531346950 1067196135 /nfs/dbraw/zinc/19/61/35/1067196135.db2.gz FTXKTNIJOVKMAZ-CJCQAYSXSA-N 0 0 551.235 4.697 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c(Br)c1 ZINC001531346953 1067196158 /nfs/dbraw/zinc/19/61/58/1067196158.db2.gz FTXKTNIJOVKMAZ-XIXVAHAYSA-N 0 0 551.235 4.697 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O)c(OC)c1 ZINC001531346958 1067196195 /nfs/dbraw/zinc/19/61/95/1067196195.db2.gz FVTVEIFUOQQQSH-FOKLQQMPSA-N 0 0 509.198 4.861 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC001531347033 1067196166 /nfs/dbraw/zinc/19/61/66/1067196166.db2.gz HMXQSTHTYWAFFW-RPPGKUMJSA-N 0 0 553.329 4.997 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001531347244 1067196118 /nfs/dbraw/zinc/19/61/18/1067196118.db2.gz WCSQGMOQSJCPJB-UVHMKAGCSA-N 0 0 575.416 4.631 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC001531347305 1067196150 /nfs/dbraw/zinc/19/61/50/1067196150.db2.gz YWQHBKZRSQJBCN-UVHMKAGCSA-N 0 0 642.288 4.939 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC#N)c(OC)c1 ZINC001531347549 1067196172 /nfs/dbraw/zinc/19/61/72/1067196172.db2.gz NEFDLJBQXSRWOC-LGJNPRDNSA-N 0 0 595.235 4.899 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)OC)c(I)c1 ZINC001531347559 1067196190 /nfs/dbraw/zinc/19/61/90/1067196190.db2.gz NYGBZLUHWZENML-KIBLKLHPSA-N 0 0 710.104 4.755 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC)cc1Br ZINC001531347806 1067196792 /nfs/dbraw/zinc/19/67/92/1067196792.db2.gz ZKMMULVUQODVPN-RPPGKUMJSA-N 0 0 581.261 4.707 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OC(C)=O ZINC001531350917 1067196748 /nfs/dbraw/zinc/19/67/48/1067196748.db2.gz DRYCFTVATJEAIY-AUEPDCJTSA-N 0 0 552.179 4.590 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC001531350930 1067196821 /nfs/dbraw/zinc/19/68/21/1067196821.db2.gz FCRHPKABWMAPSY-FDAWAROLSA-N 0 0 577.479 4.775 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)OC)c(OC)c1 ZINC001531350977 1067196696 /nfs/dbraw/zinc/19/66/96/1067196696.db2.gz GPDQEWGYJQVLHV-RPPGKUMJSA-N 0 0 536.810 4.598 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC(C)=O)c(I)c1 ZINC001531351006 1067196810 /nfs/dbraw/zinc/19/68/10/1067196810.db2.gz IVJPEAQRTBNLIB-FOKLQQMPSA-N 0 0 554.182 4.524 40 30 KJEBRN C=CCOc1c(OC)cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc1OC ZINC001531351095 1067196803 /nfs/dbraw/zinc/19/68/03/1067196803.db2.gz KNMYHVGKMNGBIC-CVKSISIWSA-N 0 0 500.393 4.966 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c(I)c1 ZINC001531351278 1067196816 /nfs/dbraw/zinc/19/68/16/1067196816.db2.gz NPXPGLWUQGSTTR-JUCPORTRSA-N 0 0 612.262 4.929 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c(I)c1 ZINC001531351279 1067196715 /nfs/dbraw/zinc/19/67/15/1067196715.db2.gz NPXPGLWUQGSTTR-WOLHVBPDSA-N 0 0 612.262 4.929 40 30 KJEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC#N)c(OC)c1 ZINC001531351341 1067196770 /nfs/dbraw/zinc/19/67/70/1067196770.db2.gz QAHVJSJOUYUPRI-LGJNPRDNSA-N 0 0 503.784 4.948 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OC(C)=O)c(OCC)c1 ZINC001531351346 1067196733 /nfs/dbraw/zinc/19/67/33/1067196733.db2.gz QTXDWBUAJWZUMM-BRJLIKDPSA-N 0 0 506.784 4.971 40 30 KJEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC001531351572 1067196745 /nfs/dbraw/zinc/19/67/45/1067196745.db2.gz YIFJMHIIJCWZCP-OPEKNORGSA-N 0 0 596.232 4.606 40 30 KJEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCC(=O)Nc1ccccc1 ZINC001531382570 1067196764 /nfs/dbraw/zinc/19/67/64/1067196764.db2.gz OHCKVFWTCBOLMH-ZCTHSVRISA-N 0 0 504.546 4.972 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531382671 1067196784 /nfs/dbraw/zinc/19/67/84/1067196784.db2.gz FODBDNOXOMOMFC-OEZLLYBRSA-N 0 0 597.409 4.889 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531382672 1067196799 /nfs/dbraw/zinc/19/67/99/1067196799.db2.gz FODBDNOXOMOMFC-VBICMNQQSA-N 0 0 597.409 4.889 40 30 KJEBRN COc1cccc(/C=N\n2c(=O)c3ccccc3nc2-c2ccccc2)c1OCC(=O)Nc1ccccc1 ZINC001531382677 1067196681 /nfs/dbraw/zinc/19/66/81/1067196681.db2.gz FWFIWPLSDDJQAB-DXJNIWACSA-N 0 0 504.546 4.972 40 30 KJEBRN CCOC(=O)COc1cc(Br)c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531382687 1067196705 /nfs/dbraw/zinc/19/67/05/1067196705.db2.gz GLTXGYJANKSMKU-RWPZCVJISA-N 0 0 536.382 4.659 40 30 KJEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCC(=O)OC(C)C ZINC001531382722 1067197260 /nfs/dbraw/zinc/19/72/60/1067197260.db2.gz IUGLTEMETJMJNM-WKULSOCRSA-N 0 0 505.958 4.938 40 30 KJEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OC ZINC001531382744 1067197321 /nfs/dbraw/zinc/19/73/21/1067197321.db2.gz JWGKLJSUQZLHGV-AFUMVMLFSA-N 0 0 511.319 4.568 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCC(=O)OC ZINC001531382837 1067197272 /nfs/dbraw/zinc/19/72/72/1067197272.db2.gz OHCMVUSEJOWFBL-RWPZCVJISA-N 0 0 536.382 4.659 40 30 KJEBRN CCOc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531382839 1067197267 /nfs/dbraw/zinc/19/72/67/1067197267.db2.gz OIEIVJSDSOLIMB-CVKSISIWSA-N 0 0 525.346 4.958 40 30 KJEBRN COc1cc(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c1OCC(=O)OC(C)C ZINC001531382850 1067197263 /nfs/dbraw/zinc/19/72/63/1067197263.db2.gz PMIFNIOUWFJVEU-WKULSOCRSA-N 0 0 505.958 4.938 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1OC ZINC001531382855 1067197313 /nfs/dbraw/zinc/19/73/13/1067197313.db2.gz PQCFEBZKMGXJFA-NEZLHVBRSA-N 0 0 536.382 4.657 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1OC ZINC001531382856 1067197301 /nfs/dbraw/zinc/19/73/01/1067197301.db2.gz PQCFEBZKMGXJFA-SSVJFZKPSA-N 0 0 536.382 4.657 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531382951 1067197299 /nfs/dbraw/zinc/19/72/99/1067197299.db2.gz SYRZBMIQQOAFOT-NEZLHVBRSA-N 0 0 536.382 4.657 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531382954 1067197277 /nfs/dbraw/zinc/19/72/77/1067197277.db2.gz SYRZBMIQQOAFOT-SSVJFZKPSA-N 0 0 536.382 4.657 40 30 KJEBRN COC(=O)[C@@H](C)Oc1cc(Br)c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531382974 1067197326 /nfs/dbraw/zinc/19/73/26/1067197326.db2.gz UDQPRIMELVHOBX-NEZLHVBRSA-N 0 0 536.382 4.657 40 30 KJEBRN COC(=O)[C@H](C)Oc1cc(Br)c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531382977 1067197305 /nfs/dbraw/zinc/19/73/05/1067197305.db2.gz UDQPRIMELVHOBX-SSVJFZKPSA-N 0 0 536.382 4.657 40 30 KJEBRN C#CCOc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531382985 1067197291 /nfs/dbraw/zinc/19/72/91/1067197291.db2.gz UKSJCRNOBHAXEI-JVWAILMASA-N 0 0 535.341 4.571 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531383012 1067197280 /nfs/dbraw/zinc/19/72/80/1067197280.db2.gz UZXBCMXNTLTNOV-RWPZCVJISA-N 0 0 536.382 4.659 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531383057 1067197287 /nfs/dbraw/zinc/19/72/87/1067197287.db2.gz VXSYWEOSQLHAIH-RWPZCVJISA-N 0 0 583.382 4.501 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1O[C@H](C)C(=O)OC ZINC001531383063 1067197309 /nfs/dbraw/zinc/19/73/09/1067197309.db2.gz WGNOTQBRDATXIS-OEZLLYBRSA-N 0 0 505.958 4.938 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1O[C@@H](C)C(=O)OC ZINC001531383064 1067197317 /nfs/dbraw/zinc/19/73/17/1067197317.db2.gz WGNOTQBRDATXIS-VBICMNQQSA-N 0 0 505.958 4.938 40 30 KJEBRN CCOC(=O)COc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OCC ZINC001531383111 1067197819 /nfs/dbraw/zinc/19/78/19/1067197819.db2.gz BCWPATZFCWRVMJ-MUFRIFMGSA-N 0 0 597.409 4.891 40 30 KJEBRN CCOC(=O)COc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OCC ZINC001531383144 1067197904 /nfs/dbraw/zinc/19/79/04/1067197904.db2.gz YDVPZPMVEVROQD-MUFRIFMGSA-N 0 0 505.958 4.940 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531383147 1067197841 /nfs/dbraw/zinc/19/78/41/1067197841.db2.gz YKPTZEYXLDZWCE-OEZLLYBRSA-N 0 0 505.958 4.938 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531383148 1067197947 /nfs/dbraw/zinc/19/79/47/1067197947.db2.gz YKPTZEYXLDZWCE-VBICMNQQSA-N 0 0 505.958 4.938 40 30 KJEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCC(=O)OC(C)C ZINC001531383197 1067197916 /nfs/dbraw/zinc/19/79/16/1067197916.db2.gz ZJUXZRQAVQTJLD-WKULSOCRSA-N 0 0 597.409 4.889 40 30 KJEBRN CC(C)OC(=O)COc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC001531383267 1067197980 /nfs/dbraw/zinc/19/79/80/1067197980.db2.gz DLQBCGMVOCKUBY-RWPZCVJISA-N 0 0 567.383 4.881 40 30 KJEBRN C#CCOc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OCC ZINC001531383439 1067197925 /nfs/dbraw/zinc/19/79/25/1067197925.db2.gz JRJQNUSHVUBCGB-OGLMXYFKSA-N 0 0 549.368 4.961 40 30 KJEBRN COC(=O)COc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC001531383531 1067197890 /nfs/dbraw/zinc/19/78/90/1067197890.db2.gz KFOULDXJGKFJPW-UVHMKAGCSA-N 0 0 665.225 4.707 40 30 KJEBRN O=C(COc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)N1CCOCC1 ZINC001531383574 1067197896 /nfs/dbraw/zinc/19/78/96/1067197896.db2.gz MABKYKXPTBZXGL-OKCVXOCRSA-N 0 0 626.305 4.708 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O ZINC001531383634 1067197961 /nfs/dbraw/zinc/19/79/61/1067197961.db2.gz OQLAIZZOXXLWGN-AFUMVMLFSA-N 0 0 511.319 4.655 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O[C@H](C)C(=O)OC ZINC001531383640 1067197937 /nfs/dbraw/zinc/19/79/37/1067197937.db2.gz OSDNFHDVXRWWQV-OEZLLYBRSA-N 0 0 597.409 4.889 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O[C@@H](C)C(=O)OC ZINC001531383643 1067197952 /nfs/dbraw/zinc/19/79/52/1067197952.db2.gz OSDNFHDVXRWWQV-VBICMNQQSA-N 0 0 597.409 4.889 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OC ZINC001531383793 1067197911 /nfs/dbraw/zinc/19/79/11/1067197911.db2.gz QELCIGREVTZHKS-CVKSISIWSA-N 0 0 525.346 4.958 40 30 KJEBRN CC(=O)Oc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531383797 1067197834 /nfs/dbraw/zinc/19/78/34/1067197834.db2.gz BOLUFSAYDHUCDQ-DHRITJCHSA-N 0 0 507.300 4.542 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br ZINC001531383816 1067198535 /nfs/dbraw/zinc/19/85/35/1067198535.db2.gz QSGLBBWILKADSF-WJGWSCHNSA-N 0 0 506.356 4.649 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br ZINC001531383817 1067198501 /nfs/dbraw/zinc/19/85/01/1067198501.db2.gz QSGLBBWILKADSF-ZXSUQFSISA-N 0 0 506.356 4.649 40 30 KJEBRN O=C(COc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cccc1[N+](=O)[O-])Nc1ccccc1 ZINC001531383821 1067198509 /nfs/dbraw/zinc/19/85/09/1067198509.db2.gz BVMOHWGNYKPGMN-UXHLAJHPSA-N 0 0 519.517 4.871 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCC#N ZINC001531383901 1067198564 /nfs/dbraw/zinc/19/85/64/1067198564.db2.gz SHXTZVHACUNBBI-LQKURTRISA-N 0 0 550.356 4.851 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCC(=O)OC ZINC001531383915 1067198545 /nfs/dbraw/zinc/19/85/45/1067198545.db2.gz SJSZNVGBBKFYIH-RWPZCVJISA-N 0 0 536.382 4.659 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OC(C)=O ZINC001531383918 1067198560 /nfs/dbraw/zinc/19/85/60/1067198560.db2.gz SKLZUGUWDXNAEW-JFLMPSFJSA-N 0 0 553.356 4.874 40 30 KJEBRN CCOC(=O)COc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br ZINC001531384042 1067198523 /nfs/dbraw/zinc/19/85/23/1067198523.db2.gz TZQBXHPQTHLTIM-JFLMPSFJSA-N 0 0 506.356 4.650 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC001531384118 1067198548 /nfs/dbraw/zinc/19/85/48/1067198548.db2.gz VHTIYQDSCHUJOC-SSGLAOATSA-N 0 0 567.383 4.881 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC001531384120 1067198551 /nfs/dbraw/zinc/19/85/51/1067198551.db2.gz VHTIYQDSCHUJOC-TXMABLNQSA-N 0 0 567.383 4.881 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCC(=O)OC ZINC001531384130 1067198528 /nfs/dbraw/zinc/19/85/28/1067198528.db2.gz VMECGWSMKFGHFW-RWPZCVJISA-N 0 0 583.382 4.501 40 30 KJEBRN O=C(COc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)N1CCOCC1 ZINC001531384166 1067198530 /nfs/dbraw/zinc/19/85/30/1067198530.db2.gz DNGKJRBVSCMJEU-OKCVXOCRSA-N 0 0 581.854 4.599 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(=O)N1CCOCC1 ZINC001531384362 1067198533 /nfs/dbraw/zinc/19/85/33/1067198533.db2.gz GQQOZVKTJZSJGC-VTNSRFBWSA-N 0 0 625.907 4.998 40 30 KJEBRN C#CCOc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I ZINC001531384373 1067198513 /nfs/dbraw/zinc/19/85/13/1067198513.db2.gz ZMWNEHPENSVNOQ-WGOQTCKBSA-N 0 0 505.315 4.562 40 30 KJEBRN O=C(COc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-])Nc1ccccc1 ZINC001531384538 1067198525 /nfs/dbraw/zinc/19/85/25/1067198525.db2.gz IIOUUXCKWJXEMR-UXHLAJHPSA-N 0 0 519.517 4.871 40 30 KJEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC001531384592 1067198505 /nfs/dbraw/zinc/19/85/05/1067198505.db2.gz ISHVRPBAJNAACZ-WKULSOCRSA-N 0 0 538.476 4.958 40 30 KJEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCC(=O)N1CCOCC1 ZINC001531384616 1067198492 /nfs/dbraw/zinc/19/84/92/1067198492.db2.gz JEJDQARNABSBCQ-WCMJOSRZSA-N 0 0 656.331 4.717 40 30 KJEBRN CC(C)OC(=O)COc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384669 1067198553 /nfs/dbraw/zinc/19/85/53/1067198553.db2.gz LCZAEEAPMYCHNW-CCVNUDIWSA-N 0 0 565.380 4.947 40 30 KJEBRN COC(=O)COc1ccc(-n2c(C)cc(/C=N/n3c(=O)c4ccccc4nc3-c3ccccc3)c2C)cc1 ZINC001531384806 1067199031 /nfs/dbraw/zinc/19/90/31/1067199031.db2.gz LVLQUMAGVADYNL-FDAWAROLSA-N 0 0 506.562 4.905 40 30 KJEBRN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC001531384858 1067199000 /nfs/dbraw/zinc/19/90/00/1067199000.db2.gz NRZFHWDFEBECIA-RWPZCVJISA-N 0 0 508.450 4.949 40 30 KJEBRN COC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1 ZINC001531384894 1067198987 /nfs/dbraw/zinc/19/89/87/1067198987.db2.gz MZTGVUMDLCBGQA-WJGWSCHNSA-N 0 0 506.356 4.649 40 30 KJEBRN COC(=O)[C@H](C)Oc1ccc(Br)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1 ZINC001531384895 1067199014 /nfs/dbraw/zinc/19/90/14/1067199014.db2.gz MZTGVUMDLCBGQA-ZXSUQFSISA-N 0 0 506.356 4.649 40 30 KJEBRN N#CCOc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384911 1067199053 /nfs/dbraw/zinc/19/90/53/1067199053.db2.gz PAAMCMPPAQFAKW-VULFUBBASA-N 0 0 504.300 4.519 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384921 1067198977 /nfs/dbraw/zinc/19/89/77/1067198977.db2.gz PGGYLCZPVWHGTI-FYDYWCEBSA-N 0 0 551.353 4.557 40 30 KJEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC001531384946 1067199003 /nfs/dbraw/zinc/19/90/03/1067199003.db2.gz OTTAFERHRMGTKP-FDAWAROLSA-N 0 0 549.543 4.880 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384949 1067199048 /nfs/dbraw/zinc/19/90/48/1067199048.db2.gz PGGYLCZPVWHGTI-PJAVDKHJSA-N 0 0 551.353 4.557 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384952 1067198996 /nfs/dbraw/zinc/19/89/96/1067198996.db2.gz PIQDVWDEQYTCPR-NEZLHVBRSA-N 0 0 520.929 4.838 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384953 1067199059 /nfs/dbraw/zinc/19/90/59/1067199059.db2.gz PIQDVWDEQYTCPR-SSVJFZKPSA-N 0 0 520.929 4.838 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(N)=O ZINC001531384962 1067199042 /nfs/dbraw/zinc/19/90/42/1067199042.db2.gz POGJZEUYBVSLGP-VFLNYLIXSA-N 0 0 555.816 4.624 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384976 1067199018 /nfs/dbraw/zinc/19/90/18/1067199018.db2.gz QCQGAXFRBDPFTL-OJPXDDBDSA-N 0 0 530.537 4.583 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384977 1067198981 /nfs/dbraw/zinc/19/89/81/1067198981.db2.gz QCQGAXFRBDPFTL-SVMUSQEWSA-N 0 0 530.537 4.583 40 30 KJEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1 ZINC001531384994 1067198973 /nfs/dbraw/zinc/19/89/73/1067198973.db2.gz QULPCNUOGDBIIJ-BIZUNTBRSA-N 0 0 534.572 4.980 40 30 KJEBRN CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(Br)c(Br)c1OCC(N)=O ZINC001531385004 1067198967 /nfs/dbraw/zinc/19/89/67/1067198967.db2.gz RAAGKJCHHJMRAU-VFLNYLIXSA-N 0 0 600.267 4.734 40 30 KJEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(=O)N1CCOCC1 ZINC001531385109 1067198963 /nfs/dbraw/zinc/19/89/63/1067198963.db2.gz PXHITQQLJWBKNI-WCMJOSRZSA-N 0 0 611.880 4.608 40 30 KJEBRN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC001531385243 1067199025 /nfs/dbraw/zinc/19/90/25/1067199025.db2.gz UASSYGONYZLQEM-RWPZCVJISA-N 0 0 508.450 4.949 40 30 KJEBRN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC001531385281 1067199293 /nfs/dbraw/zinc/19/92/93/1067199293.db2.gz UVTQLFQQVBSDSP-RWPZCVJISA-N 0 0 508.450 4.949 40 30 KJEBRN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc(Br)c(I)o1 ZINC001531385300 1067198990 /nfs/dbraw/zinc/19/89/90/1067198990.db2.gz FGNIEMQGCXJGIM-SSDVNMTOSA-N 0 0 520.124 4.906 40 30 KJEBRN CCOC(=O)COc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531385316 1067199357 /nfs/dbraw/zinc/19/93/57/1067199357.db2.gz VYCGKWLVJFMYKK-MZJWZYIUSA-N 0 0 551.353 4.558 40 30 KJEBRN COC(=O)[C@H](C)Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385326 1067199414 /nfs/dbraw/zinc/19/94/14/1067199414.db2.gz GMSUQYGJTRBELT-FYDYWCEBSA-N 0 0 551.353 4.557 40 30 KJEBRN COC(=O)[C@@H](C)Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385327 1067199316 /nfs/dbraw/zinc/19/93/16/1067199316.db2.gz GMSUQYGJTRBELT-PJAVDKHJSA-N 0 0 551.353 4.557 40 30 KJEBRN O=C(COc1ccc([N+](=O)[O-])cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1)Nc1ccccc1 ZINC001531385330 1067199327 /nfs/dbraw/zinc/19/93/27/1067199327.db2.gz WHKFIUMMFBQHQM-UXHLAJHPSA-N 0 0 519.517 4.871 40 30 KJEBRN C#CCOc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531385362 1067199284 /nfs/dbraw/zinc/19/92/84/1067199284.db2.gz WOZBDRLKEPUSAJ-CVKSISIWSA-N 0 0 503.312 4.628 40 30 KJEBRN CC(=O)Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385367 1067199443 /nfs/dbraw/zinc/19/94/43/1067199443.db2.gz GZIUHWZVCONUGV-DHRITJCHSA-N 0 0 507.300 4.542 40 30 KJEBRN COC(=O)COc1c(Br)cc(Cl)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1 ZINC001531385386 1067199303 /nfs/dbraw/zinc/19/93/03/1067199303.db2.gz HOLRKEXEKYQWDD-UVHMKAGCSA-N 0 0 526.774 4.913 40 30 KJEBRN Cc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC001531385404 1067199064 /nfs/dbraw/zinc/19/90/64/1067199064.db2.gz UPOSVHKWNZOKDA-KEIPNQJHSA-N 0 0 561.642 4.591 40 30 KJEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC001531385462 1067199394 /nfs/dbraw/zinc/19/93/94/1067199394.db2.gz XKPHJFMTUOIYLH-MUFRIFMGSA-N 0 0 530.537 4.583 40 30 KJEBRN CC(C)OC(=O)COc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1[N+](=O)[O-] ZINC001531385512 1067199405 /nfs/dbraw/zinc/19/94/05/1067199405.db2.gz LABCFWORLISXSH-CCVNUDIWSA-N 0 0 520.929 4.838 40 30 KJEBRN O=C(COc1c(Br)cc(Cl)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1)N1CCOCC1 ZINC001531385570 1067199268 /nfs/dbraw/zinc/19/92/68/1067199268.db2.gz NYPRSZVPQVUOSH-OKCVXOCRSA-N 0 0 581.854 4.599 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385581 1067199385 /nfs/dbraw/zinc/19/93/85/1067199385.db2.gz OMASPZYAHFINMI-NEZLHVBRSA-N 0 0 565.380 4.947 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385583 1067199372 /nfs/dbraw/zinc/19/93/72/1067199372.db2.gz OMASPZYAHFINMI-SSVJFZKPSA-N 0 0 565.380 4.947 40 30 KJEBRN CCOC(=O)COc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385584 1067199335 /nfs/dbraw/zinc/19/93/35/1067199335.db2.gz ONIBVEVQXGSMMQ-MZJWZYIUSA-N 0 0 551.353 4.558 40 30 KJEBRN COC(=O)COc1c(Cl)c(Br)c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC001531385588 1067199435 /nfs/dbraw/zinc/19/94/35/1067199435.db2.gz WBMKDVODAXVCFW-XODNFHPESA-N 0 0 556.800 4.922 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531385600 1067199378 /nfs/dbraw/zinc/19/93/78/1067199378.db2.gz YVTQYCLOEHNQIR-NEZLHVBRSA-N 0 0 565.380 4.947 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531385601 1067199427 /nfs/dbraw/zinc/19/94/27/1067199427.db2.gz YVTQYCLOEHNQIR-SSVJFZKPSA-N 0 0 565.380 4.947 40 30 KJEBRN CC(C)OC(=O)COc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531385604 1067199233 /nfs/dbraw/zinc/19/92/33/1067199233.db2.gz YWLVTNFGDLDZMR-CCVNUDIWSA-N 0 0 520.929 4.838 40 30 KJEBRN CC(C)OC(=O)COc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385673 1067199256 /nfs/dbraw/zinc/19/92/56/1067199256.db2.gz PXQNKPHMOHDQAC-CCVNUDIWSA-N 0 0 565.380 4.947 40 30 KJEBRN COC(=O)COc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br ZINC001531385705 1067199963 /nfs/dbraw/zinc/19/99/63/1067199963.db2.gz XYWJWXQTUHPIAK-UVHMKAGCSA-N 0 0 526.774 4.913 40 30 KJEBRN N#CCOc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385708 1067200004 /nfs/dbraw/zinc/20/00/04/1067200004.db2.gz UAMGSFGGSVPEJL-VULFUBBASA-N 0 0 504.300 4.519 40 30 KJEBRN CCOC(=O)COc1ccc(Br)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1 ZINC001531385711 1067199993 /nfs/dbraw/zinc/19/99/93/1067199993.db2.gz YBSNJQNLYCWNSR-JFLMPSFJSA-N 0 0 506.356 4.650 40 30 KJEBRN CCOC(=O)[C@@H](C)Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1[N+](=O)[O-] ZINC001531385715 1067200038 /nfs/dbraw/zinc/20/00/38/1067200038.db2.gz UFGBTAARTBDSRT-NEZLHVBRSA-N 0 0 520.929 4.838 40 30 KJEBRN CCOC(=O)[C@H](C)Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1[N+](=O)[O-] ZINC001531385716 1067199987 /nfs/dbraw/zinc/19/99/87/1067199987.db2.gz UFGBTAARTBDSRT-SSVJFZKPSA-N 0 0 520.929 4.838 40 30 KJEBRN C#CCOc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001531385742 1067200131 /nfs/dbraw/zinc/20/01/31/1067200131.db2.gz WXYDWEGNCPXUFR-CVKSISIWSA-N 0 0 503.312 4.628 40 30 KJEBRN O=C(Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001531387103 1067199998 /nfs/dbraw/zinc/19/99/98/1067199998.db2.gz CTPZFGSRGXCJKX-STBIYBPSSA-N 0 0 535.472 4.981 40 30 KJEBRN O=C(Oc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001531387196 1067200088 /nfs/dbraw/zinc/20/00/88/1067200088.db2.gz QSKAWTXNKGNHBU-OKCVXOCRSA-N 0 0 534.484 4.802 40 30 KJEBRN COc1ccc2occ([C@@H]3CC(=O)Oc4ccc5c(c43)O/C(=C/c3ccc4c(c3)OCCO4)C5=O)c(=O)c2c1 ZINC001547138105 1067201253 /nfs/dbraw/zinc/20/12/53/1067201253.db2.gz HZQGZPBYSDBUBH-CVHZQBDDSA-N 0 0 524.481 4.630 40 30 KJEBRN COc1ccc2occ([C@H]3CC(=O)Oc4ccc5c(c43)O/C(=C/c3ccc4c(c3)OCCO4)C5=O)c(=O)c2c1 ZINC001547138106 1067201320 /nfs/dbraw/zinc/20/13/20/1067201320.db2.gz HZQGZPBYSDBUBH-VFADJPBRSA-N 0 0 524.481 4.630 40 30 KJEBRN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc4c3[C@@H](c3cc(OC)c(O)c(OC)c3)CC(=O)O4)C1=O)cn2C ZINC001547138133 1067201274 /nfs/dbraw/zinc/20/12/74/1067201274.db2.gz XRPMZZWINATARM-UEAIBJGASA-N 0 0 527.529 4.967 40 30 KJEBRN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc4c3[C@H](c3cc(OC)c(O)c(OC)c3)CC(=O)O4)C1=O)cn2C ZINC001547138134 1067201312 /nfs/dbraw/zinc/20/13/12/1067201312.db2.gz XRPMZZWINATARM-XPVFAOKESA-N 0 0 527.529 4.967 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCc2noc([C@@H]3CCC(=O)N3)n2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138227 1067201245 /nfs/dbraw/zinc/20/12/45/1067201245.db2.gz CIFQKOFAHPZSCU-AICGUOCESA-N 0 0 697.166 4.638 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCc2noc([C@H]3CCC(=O)N3)n2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138228 1067201184 /nfs/dbraw/zinc/20/11/84/1067201184.db2.gz CIFQKOFAHPZSCU-AQSSFURASA-N 0 0 697.166 4.638 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCc2noc([C@H]3CCC(=O)N3)n2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138229 1067201304 /nfs/dbraw/zinc/20/13/04/1067201304.db2.gz CIFQKOFAHPZSCU-FWBPFOJESA-N 0 0 697.166 4.638 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCc2noc([C@@H]3CCC(=O)N3)n2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138230 1067201263 /nfs/dbraw/zinc/20/12/63/1067201263.db2.gz CIFQKOFAHPZSCU-IVHODHGVSA-N 0 0 697.166 4.638 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138245 1067201164 /nfs/dbraw/zinc/20/11/64/1067201164.db2.gz CXAUIKFJWWWUOT-MBKFYVRRSA-N 0 0 762.281 4.912 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138246 1067201219 /nfs/dbraw/zinc/20/12/19/1067201219.db2.gz CXAUIKFJWWWUOT-MMWULMFWSA-N 0 0 762.281 4.912 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCN(C)C)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138351 1067201145 /nfs/dbraw/zinc/20/11/45/1067201145.db2.gz INAIMGXSDGGOJX-LCUVTVSSSA-N 0 0 603.137 4.666 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCN(C)C)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138352 1067201192 /nfs/dbraw/zinc/20/11/92/1067201192.db2.gz INAIMGXSDGGOJX-NQNGNYMJSA-N 0 0 603.137 4.666 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547138405 1067201924 /nfs/dbraw/zinc/20/19/24/1067201924.db2.gz KWSIBCDGVBAUCZ-BEWNLLIZSA-N 0 0 666.079 4.765 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547138406 1067201839 /nfs/dbraw/zinc/20/18/39/1067201839.db2.gz KWSIBCDGVBAUCZ-XUYQEOARSA-N 0 0 666.079 4.765 40 30 KJEBRN COCCc1noc([C@H](CCS(C)(=O)=O)NC(=O)C[C@@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)n1 ZINC001547138418 1067201877 /nfs/dbraw/zinc/20/18/77/1067201877.db2.gz AFGQIVPYZMJVBQ-IFROKMGZSA-N 0 0 778.302 4.852 40 30 KJEBRN COCCc1noc([C@@H](CCS(C)(=O)=O)NC(=O)C[C@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)n1 ZINC001547138420 1067201898 /nfs/dbraw/zinc/20/18/98/1067201898.db2.gz AFGQIVPYZMJVBQ-NJIGLLBRSA-N 0 0 778.302 4.852 40 30 KJEBRN COCCc1noc([C@@H](CCS(C)(=O)=O)NC(=O)C[C@@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)n1 ZINC001547138421 1067201597 /nfs/dbraw/zinc/20/15/97/1067201597.db2.gz AFGQIVPYZMJVBQ-VDRNECNYSA-N 0 0 778.302 4.852 40 30 KJEBRN COCCc1noc([C@H](CCS(C)(=O)=O)NC(=O)C[C@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)n1 ZINC001547138422 1067201707 /nfs/dbraw/zinc/20/17/07/1067201707.db2.gz AFGQIVPYZMJVBQ-XUYUDPKCSA-N 0 0 778.302 4.852 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCn2c3ccccc3[nH]c(=O)c2=O)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138457 1067201885 /nfs/dbraw/zinc/20/18/85/1067201885.db2.gz LYVLGYSQSVDHAH-PKXRIJHHSA-N 0 0 720.200 4.808 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCn2c3ccccc3[nH]c(=O)c2=O)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138459 1067201904 /nfs/dbraw/zinc/20/19/04/1067201904.db2.gz LYVLGYSQSVDHAH-QWYDNCELSA-N 0 0 720.200 4.808 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N2CCN(C3=CC(=O)[C@@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)[C@H](C)C3)CC2)C[C@H]1C ZINC001547138479 1067201739 /nfs/dbraw/zinc/20/17/39/1067201739.db2.gz MHQOEEWRMVOFSR-IWWAQNGLSA-N 0 0 727.594 4.959 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CNCCNc2ccnc3cc(Cl)ccc32)C(=O)C[C@H]1C ZINC001547138485 1067201913 /nfs/dbraw/zinc/20/19/13/1067201913.db2.gz BGDDOPQPLKNSRC-YMNHFESYSA-N 0 0 570.429 4.636 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138498 1067201850 /nfs/dbraw/zinc/20/18/50/1067201850.db2.gz MMHOJYVGCKAOCZ-SHNLADLASA-N 0 0 693.240 4.528 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138501 1067201829 /nfs/dbraw/zinc/20/18/29/1067201829.db2.gz MMHOJYVGCKAOCZ-SQNFJHRZSA-N 0 0 693.240 4.528 40 30 KJEBRN C#CCNC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 ZINC001547138621 1067201771 /nfs/dbraw/zinc/20/17/71/1067201771.db2.gz DEJPZMKUECDEPL-GBXCKJPGSA-N 0 0 593.673 4.877 40 30 KJEBRN C#CCNC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 ZINC001547138623 1067201794 /nfs/dbraw/zinc/20/17/94/1067201794.db2.gz DEJPZMKUECDEPL-RDPSFJRHSA-N 0 0 593.673 4.877 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1cccc(Br)c1 ZINC001547138642 1067201719 /nfs/dbraw/zinc/20/17/19/1067201719.db2.gz DPBDDLBJCXHUPL-KLPBISISSA-N 0 0 613.852 4.632 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1cccc(Br)c1 ZINC001547138644 1067202496 /nfs/dbraw/zinc/20/24/96/1067202496.db2.gz DPBDDLBJCXHUPL-QVBQWYRXSA-N 0 0 613.852 4.632 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N2CCC(O)(c3ccc(Cl)cc3)CC2)C[C@H]1C ZINC001547138661 1067202470 /nfs/dbraw/zinc/20/24/70/1067202470.db2.gz DTUYHXNPVJTJBS-RXAIFQJESA-N 0 0 532.420 4.801 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138709 1067202264 /nfs/dbraw/zinc/20/22/64/1067202264.db2.gz FRELYUWXPQXAOR-PVJXOFDLSA-N 0 0 812.363 4.715 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138711 1067202483 /nfs/dbraw/zinc/20/24/83/1067202483.db2.gz FRELYUWXPQXAOR-WHFZTEEVSA-N 0 0 812.363 4.715 40 30 KJEBRN COc1cc([C@H](CC(=O)NCC#N)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138785 1067202446 /nfs/dbraw/zinc/20/24/46/1067202446.db2.gz GUXUQABZUVLHFP-CVDCTZTESA-N 0 0 594.661 4.767 40 30 KJEBRN COc1cc([C@@H](CC(=O)NCC#N)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138786 1067202518 /nfs/dbraw/zinc/20/25/18/1067202518.db2.gz GUXUQABZUVLHFP-WMZHIEFXSA-N 0 0 594.661 4.767 40 30 KJEBRN CC[C@H](C)[C@H](NC=C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O)c1nc2ccccc2[nH]1 ZINC001547138856 1067202423 /nfs/dbraw/zinc/20/24/23/1067202423.db2.gz VCJZDZHJZOPHHQ-OHZIOETESA-N 0 0 552.027 4.986 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCc2ccccn2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547138893 1067202434 /nfs/dbraw/zinc/20/24/34/1067202434.db2.gz HRUJMKZNMCKYGL-OIESYPEGSA-N 0 0 621.042 4.706 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCc2ccccn2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547138895 1067202307 /nfs/dbraw/zinc/20/23/07/1067202307.db2.gz HRUJMKZNMCKYGL-PDVHPOCTSA-N 0 0 621.042 4.706 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138934 1067203058 /nfs/dbraw/zinc/20/30/58/1067203058.db2.gz WNFHKWHKKPPMAH-CSBGKSEISA-N 0 0 790.266 4.684 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138935 1067203218 /nfs/dbraw/zinc/20/32/18/1067203218.db2.gz IEODZBJDEVLQQE-HXKMSDEXSA-N 0 0 701.219 4.952 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547138936 1067203154 /nfs/dbraw/zinc/20/31/54/1067203154.db2.gz IEODZBJDEVLQQE-UFNPPLJESA-N 0 0 701.219 4.952 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138937 1067203038 /nfs/dbraw/zinc/20/30/38/1067203038.db2.gz WNFHKWHKKPPMAH-RQLCDTMHSA-N 0 0 790.266 4.684 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139010 1067203186 /nfs/dbraw/zinc/20/31/86/1067203186.db2.gz YMAQJQUXCRJPJW-DMYXBQNASA-N 0 0 715.246 4.994 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139011 1067203089 /nfs/dbraw/zinc/20/30/89/1067203089.db2.gz YMAQJQUXCRJPJW-VHKJGPOGSA-N 0 0 715.246 4.994 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N2CCCCC2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547139064 1067203095 /nfs/dbraw/zinc/20/30/95/1067203095.db2.gz CMRPFKMLAGSSEM-OERWEXPNSA-N 0 0 600.064 4.993 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCC#N)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139068 1067203005 /nfs/dbraw/zinc/20/30/05/1067203005.db2.gz ZQHKMHSNPQGGIU-AZMQUPJVSA-N 0 0 571.051 4.628 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCC#N)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139069 1067203178 /nfs/dbraw/zinc/20/31/78/1067203178.db2.gz ZQHKMHSNPQGGIU-ITEABVRESA-N 0 0 571.051 4.628 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N2CCCCC2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547139070 1067203146 /nfs/dbraw/zinc/20/31/46/1067203146.db2.gz CMRPFKMLAGSSEM-YSZKKOMBSA-N 0 0 600.064 4.993 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCc2noc(Cn3ccccc3=O)n2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139110 1067203226 /nfs/dbraw/zinc/20/32/26/1067203226.db2.gz GLLASVLQRFKERZ-NLLPHEHUSA-N 0 0 735.215 4.940 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCc2noc(Cn3ccccc3=O)n2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139112 1067202989 /nfs/dbraw/zinc/20/29/89/1067202989.db2.gz GLLASVLQRFKERZ-ZWZGBZMGSA-N 0 0 735.215 4.940 40 30 KJEBRN COC(=O)c1ccc(CNC(=O)C[C@H](c2ccc3c(c2)OCO3)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)o1 ZINC001547139121 1067203170 /nfs/dbraw/zinc/20/31/70/1067203170.db2.gz KACAVDBCUZNGEW-MWWQNTRASA-N 0 0 668.051 4.691 40 30 KJEBRN COC(=O)c1ccc(CNC(=O)C[C@@H](c2ccc3c(c2)OCO3)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)o1 ZINC001547139123 1067203051 /nfs/dbraw/zinc/20/30/51/1067203051.db2.gz KACAVDBCUZNGEW-ZRJIPITBSA-N 0 0 668.051 4.691 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N2CCC(Oc3cccc(Cl)n3)CC2)C[C@H]1C ZINC001547139302 1067203511 /nfs/dbraw/zinc/20/35/11/1067203511.db2.gz ZXIMPZYMXOLKRX-PTFIGZPYSA-N 0 0 533.408 4.756 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCC(OC)OC)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139311 1067203548 /nfs/dbraw/zinc/20/35/48/1067203548.db2.gz MVSSSTISUSBQOM-NQUPLYSKSA-N 0 0 620.120 4.723 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCC(OC)OC)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139312 1067203588 /nfs/dbraw/zinc/20/35/88/1067203588.db2.gz MVSSSTISUSBQOM-RBQGVIKNSA-N 0 0 620.120 4.723 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CN[C@@H](c2ccc(OC)c(OC)c2)C(C)C)C(=O)C[C@H]1C ZINC001547139408 1067203610 /nfs/dbraw/zinc/20/36/10/1067203610.db2.gz PMVKEWOUFSBSHJ-ABCMISFISA-N 0 0 558.027 4.737 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CN[C@H](c2ccc(OC)c(OC)c2)C(C)C)C(=O)C[C@H]1C ZINC001547139409 1067203540 /nfs/dbraw/zinc/20/35/40/1067203540.db2.gz PMVKEWOUFSBSHJ-NFHYXTGGSA-N 0 0 558.027 4.737 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H](CO)Cc2ccccc2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547139430 1067203594 /nfs/dbraw/zinc/20/35/94/1067203594.db2.gz PZIFKQXGQRBJBK-NJIGLLBRSA-N 0 0 664.107 4.715 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547139431 1067203526 /nfs/dbraw/zinc/20/35/26/1067203526.db2.gz PZIFKQXGQRBJBK-XUYUDPKCSA-N 0 0 664.107 4.715 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139432 1067203581 /nfs/dbraw/zinc/20/35/81/1067203581.db2.gz PZJHRBBZDPMXBX-FRFDJVMTSA-N 0 0 708.189 4.842 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139433 1067203633 /nfs/dbraw/zinc/20/36/33/1067203633.db2.gz PZJHRBBZDPMXBX-YRCILPBRSA-N 0 0 708.189 4.842 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](CCS(C)(=O)=O)c2nc(C)no2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139678 1067204065 /nfs/dbraw/zinc/20/40/65/1067204065.db2.gz XQPXJBULKBKNIM-JFVBXRFASA-N 0 0 734.249 4.972 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@H](CCS(C)(=O)=O)c2nc(C)no2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139679 1067204136 /nfs/dbraw/zinc/20/41/36/1067204136.db2.gz XQPXJBULKBKNIM-LBAOJPTGSA-N 0 0 734.249 4.972 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H](CCS(C)(=O)=O)c2nc(C)no2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139680 1067204107 /nfs/dbraw/zinc/20/41/07/1067204107.db2.gz XQPXJBULKBKNIM-LTWWBXFNSA-N 0 0 734.249 4.972 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H](CCS(C)(=O)=O)c2nc(C)no2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139681 1067204011 /nfs/dbraw/zinc/20/40/11/1067204011.db2.gz XQPXJBULKBKNIM-QWBOEFRASA-N 0 0 734.249 4.972 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCn2ccc3c(cnc4nc(C)nn43)c2=O)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139692 1067204007 /nfs/dbraw/zinc/20/40/07/1067204007.db2.gz XZKXLRZFDXKQNG-ADWAARGASA-N 0 0 759.241 4.865 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCn2ccc3c(cnc4nc(C)nn43)c2=O)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139693 1067204117 /nfs/dbraw/zinc/20/41/17/1067204117.db2.gz XZKXLRZFDXKQNG-IWZMQSCNSA-N 0 0 759.241 4.865 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCc2nc(-c3cccnc3)no2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547204084 1067204096 /nfs/dbraw/zinc/20/40/96/1067204096.db2.gz BSROZUIVDHPCMX-FJRRKFEMSA-N 0 0 703.104 4.799 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCc2nc(-c3cccnc3)no2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547204089 1067204114 /nfs/dbraw/zinc/20/41/14/1067204114.db2.gz BSROZUIVDHPCMX-ZNESXOCPSA-N 0 0 703.104 4.799 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCc2nc(-c3ccco3)no2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547205740 1067204100 /nfs/dbraw/zinc/20/41/00/1067204100.db2.gz BPRTXNGXMPTOTP-YOKBQCTQSA-N 0 0 692.077 4.997 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCc2nc(-c3ccco3)no2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547205745 1067204047 /nfs/dbraw/zinc/20/40/47/1067204047.db2.gz BPRTXNGXMPTOTP-ZUYMJASHSA-N 0 0 692.077 4.997 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(SC)cc2)C(=O)C[C@@H]1C ZINC001547205960 1067204140 /nfs/dbraw/zinc/20/41/40/1067204140.db2.gz CXAUIKFJWWWUOT-HZXQJZIBSA-N 0 0 762.281 4.912 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(SC)cc2)C(=O)C[C@@H]1C ZINC001547205961 1067204060 /nfs/dbraw/zinc/20/40/60/1067204060.db2.gz CXAUIKFJWWWUOT-NXOMYIKZSA-N 0 0 762.281 4.912 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCCN2CCCCCC2=O)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547205974 1067204150 /nfs/dbraw/zinc/20/41/50/1067204150.db2.gz JMKZLUNBSHPLLU-AKODEEIRSA-N 0 0 683.154 4.904 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCCN2CCCCCC2=O)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547205975 1067204042 /nfs/dbraw/zinc/20/40/42/1067204042.db2.gz JMKZLUNBSHPLLU-SINDZKBQSA-N 0 0 683.154 4.904 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547206350 1067204657 /nfs/dbraw/zinc/20/46/57/1067204657.db2.gz KPZWNSOIWFUGHN-PXHCOSFKSA-N 0 0 776.195 4.847 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547206353 1067204590 /nfs/dbraw/zinc/20/45/90/1067204590.db2.gz KPZWNSOIWFUGHN-VTIRTNGLSA-N 0 0 776.195 4.847 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCC(=O)Nc2ccccn2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547206434 1067204519 /nfs/dbraw/zinc/20/45/19/1067204519.db2.gz ZUCYWLQUAFMPDB-IIABOOAYSA-N 0 0 678.094 4.535 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCC(=O)Nc2ccccn2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547206438 1067204627 /nfs/dbraw/zinc/20/46/27/1067204627.db2.gz ZUCYWLQUAFMPDB-QONXBGTDSA-N 0 0 678.094 4.535 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCn2c(CO)nc3ccccc32)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547208801 1067204509 /nfs/dbraw/zinc/20/45/09/1067204509.db2.gz QFJZYXSQGSMUCW-FANKHZBVSA-N 0 0 704.132 4.653 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCn2c(CO)nc3ccccc32)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547208802 1067204470 /nfs/dbraw/zinc/20/44/70/1067204470.db2.gz QFJZYXSQGSMUCW-IUNWLOQESA-N 0 0 704.132 4.653 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)NCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547208886 1067204562 /nfs/dbraw/zinc/20/45/62/1067204562.db2.gz WNFHKWHKKPPMAH-BQDCXZFVSA-N 0 0 790.266 4.684 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)NCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547208887 1067204602 /nfs/dbraw/zinc/20/46/02/1067204602.db2.gz WNFHKWHKKPPMAH-NXCSHSNRSA-N 0 0 790.266 4.684 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547208888 1067204456 /nfs/dbraw/zinc/20/44/56/1067204456.db2.gz WNFHKWHKKPPMAH-XMLTWWHESA-N 0 0 790.266 4.684 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547208903 1067204568 /nfs/dbraw/zinc/20/45/68/1067204568.db2.gz FEPMCFBZMMRBAB-DUAFTBESSA-N 0 0 705.160 4.788 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547208904 1067204991 /nfs/dbraw/zinc/20/49/91/1067204991.db2.gz FEPMCFBZMMRBAB-IHLYAVJOSA-N 0 0 705.160 4.788 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547208905 1067205051 /nfs/dbraw/zinc/20/50/51/1067205051.db2.gz FEPMCFBZMMRBAB-MAAFBSRCSA-N 0 0 705.160 4.788 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547208906 1067205021 /nfs/dbraw/zinc/20/50/21/1067205021.db2.gz FEPMCFBZMMRBAB-MFMASEKASA-N 0 0 705.160 4.788 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547208911 1067205041 /nfs/dbraw/zinc/20/50/41/1067205041.db2.gz HIINPDHGWCWGOM-DENUHMTCSA-N 0 0 804.293 4.929 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547208912 1067205005 /nfs/dbraw/zinc/20/50/05/1067205005.db2.gz HIINPDHGWCWGOM-QNRQGSOWSA-N 0 0 804.293 4.929 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547208913 1067204967 /nfs/dbraw/zinc/20/49/67/1067204967.db2.gz HIINPDHGWCWGOM-YLMNKSHZSA-N 0 0 804.293 4.929 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCC(=O)Nc2nc(C)cs2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547208916 1067205061 /nfs/dbraw/zinc/20/50/61/1067205061.db2.gz HWRGTSBTURCEAB-JLMJUNEESA-N 0 0 684.123 4.515 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCC(=O)Nc2nc(C)cs2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547208917 1067204977 /nfs/dbraw/zinc/20/49/77/1067204977.db2.gz HWRGTSBTURCEAB-PRMKVODRSA-N 0 0 684.123 4.515 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCc2ccccn2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547208944 1067205016 /nfs/dbraw/zinc/20/50/16/1067205016.db2.gz OAISOGLYNRRIOL-GMPGVBIDSA-N 0 0 635.069 4.749 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCc2ccccn2)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547208945 1067204961 /nfs/dbraw/zinc/20/49/61/1067204961.db2.gz OAISOGLYNRRIOL-WYCKOQTJSA-N 0 0 635.069 4.749 40 30 KJEBRN COCCc1noc([C@H](CCS(C)(=O)=O)NC(=O)C[C@@H](c2ccc(SC)cc2)C2C(=O)C[C@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)n1 ZINC001547208949 1067205027 /nfs/dbraw/zinc/20/50/27/1067205027.db2.gz PJUMEVKYLKYXEG-DIGNGRNZSA-N 0 0 778.302 4.852 40 30 KJEBRN COCCc1noc([C@H](CCS(C)(=O)=O)NC(=O)C[C@@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)n1 ZINC001547208950 1067205032 /nfs/dbraw/zinc/20/50/32/1067205032.db2.gz PJUMEVKYLKYXEG-FNSZEHPESA-N 0 0 778.302 4.852 40 30 KJEBRN COCCc1noc([C@H](CCS(C)(=O)=O)NC(=O)C[C@@H](c2ccc(SC)cc2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)n1 ZINC001547208951 1067204954 /nfs/dbraw/zinc/20/49/54/1067204954.db2.gz PJUMEVKYLKYXEG-IFROKMGZSA-N 0 0 778.302 4.852 40 30 KJEBRN COCCc1noc([C@H](CCS(C)(=O)=O)NC(=O)C[C@@H](c2ccc(SC)cc2)C2C(=O)C[C@H](C)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)n1 ZINC001547208952 1067204984 /nfs/dbraw/zinc/20/49/84/1067204984.db2.gz PJUMEVKYLKYXEG-XBOCFNFASA-N 0 0 778.302 4.852 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(SC)cc2)C(=O)C[C@@H]1C ZINC001547211019 1067205037 /nfs/dbraw/zinc/20/50/37/1067205037.db2.gz FRELYUWXPQXAOR-LZIUQTFXSA-N 0 0 812.363 4.715 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(SC)cc2)C(=O)C[C@@H]1C ZINC001547211022 1067205011 /nfs/dbraw/zinc/20/50/11/1067205011.db2.gz FRELYUWXPQXAOR-YLYRXTNFSA-N 0 0 812.363 4.715 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547211042 1067205056 /nfs/dbraw/zinc/20/50/56/1067205056.db2.gz KYIWSTFITXXGRQ-DLPMFSRUSA-N 0 0 750.157 4.696 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547211043 1067204995 /nfs/dbraw/zinc/20/49/95/1067204995.db2.gz KYIWSTFITXXGRQ-GTSSTILDSA-N 0 0 750.157 4.696 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547211044 1067204999 /nfs/dbraw/zinc/20/49/99/1067204999.db2.gz KYIWSTFITXXGRQ-XMAXIRSQSA-N 0 0 750.157 4.696 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547211045 1067205046 /nfs/dbraw/zinc/20/50/46/1067205046.db2.gz KYIWSTFITXXGRQ-ZEAFRBSVSA-N 0 0 750.157 4.696 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](CCS(C)(=O)=O)c2nc(-c3ccccn3)no2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547211109 1067205469 /nfs/dbraw/zinc/20/54/69/1067205469.db2.gz OCGHBBMCQNILOG-BIQIEQKVSA-N 0 0 797.239 4.717 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](CCS(C)(=O)=O)c2nc(-c3ccccn3)no2)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547211119 1067205343 /nfs/dbraw/zinc/20/53/43/1067205343.db2.gz OCGHBBMCQNILOG-GUQKJYQBSA-N 0 0 797.239 4.717 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](CCS(C)(=O)=O)c2nc(-c3ccccn3)no2)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547211122 1067205492 /nfs/dbraw/zinc/20/54/92/1067205492.db2.gz OCGHBBMCQNILOG-IGMTVZKMSA-N 0 0 797.239 4.717 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H](CCS(C)(=O)=O)c2nc(-c3ccccn3)no2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547211125 1067205393 /nfs/dbraw/zinc/20/53/93/1067205393.db2.gz OCGHBBMCQNILOG-QDNDTBQXSA-N 0 0 797.239 4.717 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@H](CC(=O)N[C@H](CCS(C)(=O)=O)c2nc(C)no2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547212443 1067205382 /nfs/dbraw/zinc/20/53/82/1067205382.db2.gz ZSBIZWMAEHUGIG-MOEWLTOPSA-N 0 0 734.249 4.972 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H](CCS(C)(=O)=O)c2nc(C)no2)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547212444 1067205483 /nfs/dbraw/zinc/20/54/83/1067205483.db2.gz ZSBIZWMAEHUGIG-NZWSHSANSA-N 0 0 734.249 4.972 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@H](CC(=O)N[C@H](CCS(C)(=O)=O)c2nc(C)no2)c2ccc(SC)cc2)C(=O)C[C@@H]1C ZINC001547212445 1067205563 /nfs/dbraw/zinc/20/55/63/1067205563.db2.gz ZSBIZWMAEHUGIG-PIVNYVQLSA-N 0 0 734.249 4.972 40 30 KJEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H](CCS(C)(=O)=O)c2nc(C)no2)c2ccc(SC)cc2)C(=O)C[C@@H]1C ZINC001547212446 1067205523 /nfs/dbraw/zinc/20/55/23/1067205523.db2.gz ZSBIZWMAEHUGIG-QEHNONCDSA-N 0 0 734.249 4.972 40 30 KJEBRN CC(C)C(=O)OCC(=O)[C@@]12OC(C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C ZINC001560410913 1067206017 /nfs/dbraw/zinc/20/60/17/1067206017.db2.gz YHQPMTOGBROOIB-AGKUBBDMSA-N 0 0 539.689 4.867 40 30 KJEBRN CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C ZINC001569999090 1067206442 /nfs/dbraw/zinc/20/64/42/1067206442.db2.gz JPFBGPYMGJGHGN-VMOCLRFBSA-N 0 0 502.595 4.654 40 30 KJEBRN CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C ZINC001569999091 1067206376 /nfs/dbraw/zinc/20/63/76/1067206376.db2.gz JPFBGPYMGJGHGN-VWOQRZODSA-N 0 0 502.595 4.654 40 30 KJEBRN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](OC(=O)CC)C[C@@]21C ZINC001570001130 1067206385 /nfs/dbraw/zinc/20/63/85/1067206385.db2.gz MWHBGLRGUXAGHT-YBCXIAHWSA-N 0 0 560.659 4.778 40 30 KJEBRN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C(Br)=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@@]21C ZINC001570001138 1067206366 /nfs/dbraw/zinc/20/63/66/1067206366.db2.gz XPLMMPLHIXHNOX-LNDPOVPESA-N 0 0 599.946 4.809 40 30 KJEBRN