smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000013570404 519049587 /nfs/dbraw/zinc/04/95/87/519049587.db2.gz WFQNFNYXSFIFKB-QFIPXVFZSA-N -1 1 446.934 5.815 50 30 IKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008996290 519778470 /nfs/dbraw/zinc/77/84/70/519778470.db2.gz GFZGGNOCYASFLQ-QFIPXVFZSA-N -1 1 448.906 5.305 50 30 IKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102484833 520317735 /nfs/dbraw/zinc/31/77/35/520317735.db2.gz YNCMWBGODJXPGF-HOGKFDNTSA-N -1 1 448.906 5.150 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102484833 520317750 /nfs/dbraw/zinc/31/77/50/520317750.db2.gz YNCMWBGODJXPGF-HOGKFDNTSA-N -1 1 448.906 5.150 50 30 IKEAMM COc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000012659943 521940501 /nfs/dbraw/zinc/94/05/01/521940501.db2.gz YWQZRLNMGZBQLP-VZUCSPMQSA-N -1 1 428.406 5.895 50 30 IKEAMM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c1O ZINC000013476642 522971965 /nfs/dbraw/zinc/97/19/65/522971965.db2.gz VUVUANMPOPCRRK-BHGWPJFGSA-N -1 1 433.420 5.190 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1 ZINC000013571036 524059958 /nfs/dbraw/zinc/05/99/58/524059958.db2.gz QEHNNDUUHHJSQI-HXUWFJFHSA-N -1 1 430.485 5.235 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccco3)sc2c1 ZINC000013571034 524060469 /nfs/dbraw/zinc/06/04/69/524060469.db2.gz QEHNNDUUHHJSQI-FQEVSTJZSA-N -1 1 430.485 5.235 50 30 IKEAMM Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000012641432 524918017 /nfs/dbraw/zinc/91/80/17/524918017.db2.gz QZPOJIVWTYMZEB-LJQANCHMSA-N -1 1 443.446 5.858 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000012641432 524918023 /nfs/dbraw/zinc/91/80/23/524918023.db2.gz QZPOJIVWTYMZEB-LJQANCHMSA-N -1 1 443.446 5.858 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035078926 525597054 /nfs/dbraw/zinc/59/70/54/525597054.db2.gz UPOMMTKKTGMQLV-NVMNQCDNSA-N -1 1 433.573 5.989 50 30 IKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000004793372 526046849 /nfs/dbraw/zinc/04/68/49/526046849.db2.gz IJYDOFLNIGXWJM-OAQYLSRUSA-N -1 1 443.572 5.656 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000022135377 526270275 /nfs/dbraw/zinc/27/02/75/526270275.db2.gz CQFWDBFXSUJVMU-IBGZPJMESA-N -1 1 425.271 5.171 50 30 IKEAMM O=C1CCCC2=C1[C@H](c1ccccc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017178668 526969329 /nfs/dbraw/zinc/96/93/29/526969329.db2.gz FNEAMGRDWADKJD-IBGZPJMESA-N -1 1 433.508 5.178 50 30 IKEAMM O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc([O-])c(Br)c1 ZINC000036245314 527043669 /nfs/dbraw/zinc/04/36/69/527043669.db2.gz OZIYDCKYRPBCEY-VGOFMYFVSA-N -1 1 443.244 5.065 50 30 IKEAMM O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2Cl)C1=C([O-])c1ccccc1 ZINC000000856620 555571351 /nfs/dbraw/zinc/57/13/51/555571351.db2.gz GXIDLLVAGNKJCN-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000000856620 555571354 /nfs/dbraw/zinc/57/13/54/555571354.db2.gz GXIDLLVAGNKJCN-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)sc1C ZINC000001052635 555613540 /nfs/dbraw/zinc/61/35/40/555613540.db2.gz WJIPRCZVZIFPFJ-FQEVSTJZSA-N -1 1 430.485 5.289 50 30 IKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2ccccc2s1 ZINC000006459060 556089609 /nfs/dbraw/zinc/08/96/09/556089609.db2.gz IYWQSLCVXDSORP-NRFANRHFSA-N -1 1 442.496 5.088 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 ZINC000008740838 556206609 /nfs/dbraw/zinc/20/66/09/556206609.db2.gz KESLFXKGVCKTDC-GOSISDBHSA-N -1 1 436.514 5.296 50 30 aggregator IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008743026 556207754 /nfs/dbraw/zinc/20/77/54/556207754.db2.gz VTKNDFGKOGHPSS-GOSISDBHSA-N -1 1 447.249 5.212 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000008837427 556226094 /nfs/dbraw/zinc/22/60/94/556226094.db2.gz BXFAFNUBDSUWKZ-VWLOTQADSA-N -1 1 448.478 5.657 50 30 IKEAMM O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000009065288 556244578 /nfs/dbraw/zinc/24/45/78/556244578.db2.gz REPOGVPKXXNEMH-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009065288 556244580 /nfs/dbraw/zinc/24/45/80/556244580.db2.gz REPOGVPKXXNEMH-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1OC ZINC000009087753 556245515 /nfs/dbraw/zinc/24/55/15/556245515.db2.gz QFAIFCOJESFSFW-QFIPXVFZSA-N -1 1 449.890 5.140 50 30 IKEAMM O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009110182 556247405 /nfs/dbraw/zinc/24/74/05/556247405.db2.gz NYPUIMUEMHXKAX-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009110182 556247408 /nfs/dbraw/zinc/24/74/08/556247408.db2.gz NYPUIMUEMHXKAX-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000009110000 556247417 /nfs/dbraw/zinc/24/74/17/556247417.db2.gz WPOXPGJSMHNBDH-FQEVSTJZSA-N -1 1 441.380 5.627 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000009363625 556285763 /nfs/dbraw/zinc/28/57/63/556285763.db2.gz SVVJYRCQROMLLJ-FQEVSTJZSA-N -1 1 434.289 5.232 50 30 IKEAMM CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N([O-])C(=O)Nc2ccccc2)cc1 ZINC000013756997 556300726 /nfs/dbraw/zinc/30/07/26/556300726.db2.gz OVIZWAHKNZVBBT-RSZPVBOMSA-N -1 1 446.623 5.104 50 30 IKEAMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000032913164 556587466 /nfs/dbraw/zinc/58/74/66/556587466.db2.gz INQCBEZQVQCKTB-UHFFFAOYSA-N -1 1 434.304 5.162 50 30 IKEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016779349 556641059 /nfs/dbraw/zinc/64/10/59/556641059.db2.gz APMCBNXDEBYPDP-DIFFPNOSSA-N -1 1 429.611 5.231 50 30 IKEAMM CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000017195158 556672623 /nfs/dbraw/zinc/67/26/23/556672623.db2.gz LJOHDXCOSBONGV-IBGZPJMESA-N -1 1 445.544 5.838 50 30 IKEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000101069934 557223657 /nfs/dbraw/zinc/22/36/57/557223657.db2.gz PYMUSMSFXJNWAN-JBCNATCCSA-N -1 1 448.316 5.384 50 30 IKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102368965 557318378 /nfs/dbraw/zinc/31/83/78/557318378.db2.gz UJHPSZJFOCZCPG-MOBKVPTQSA-N -1 1 448.906 5.149 50 30 IKEAMM Cc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])c(O)c1 ZINC000100132755 557331734 /nfs/dbraw/zinc/33/17/34/557331734.db2.gz JKVVJEVQFFTDJG-WYMPLXKRSA-N -1 1 430.729 6.164 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102488880 557331934 /nfs/dbraw/zinc/33/19/34/557331934.db2.gz LKMVSRQHPNWMJA-PGVNHDJNSA-N -1 1 444.512 5.441 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000102490623 557335044 /nfs/dbraw/zinc/33/50/44/557335044.db2.gz BRFUGELAKLJUHF-MRJHHRETSA-N -1 1 437.854 5.114 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102532708 557343664 /nfs/dbraw/zinc/34/36/64/557343664.db2.gz AATNAHBSEMHYAL-QOJBNDRUSA-N -1 1 448.475 5.272 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102532714 557343731 /nfs/dbraw/zinc/34/37/31/557343731.db2.gz AATNAHBSEMHYAL-ASBZNUFUSA-N -1 1 448.475 5.272 50 30 IKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1ccc(C)c(Cl)c1 ZINC000102589451 557356637 /nfs/dbraw/zinc/35/66/37/557356637.db2.gz JAXAOKXPROZBAT-MOBKVPTQSA-N -1 1 433.891 5.283 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Br)c2)cc1 ZINC000102553296 557358420 /nfs/dbraw/zinc/35/84/20/557358420.db2.gz SQPCACGGUYLTEZ-MRJHHRETSA-N -1 1 448.316 5.384 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102613907 557359156 /nfs/dbraw/zinc/35/91/56/557359156.db2.gz GRDAQYUSBOMGDQ-MRJHHRETSA-N -1 1 438.310 5.928 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102613907 557359161 /nfs/dbraw/zinc/35/91/61/557359161.db2.gz GRDAQYUSBOMGDQ-MRJHHRETSA-N -1 1 438.310 5.928 50 30 IKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102621432 557359627 /nfs/dbraw/zinc/35/96/27/557359627.db2.gz MEOYOBMIGCKVMI-ZHHPLPSFSA-N -1 1 446.503 5.178 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102609751 557360965 /nfs/dbraw/zinc/36/09/65/557360965.db2.gz CKNKAYBXZNYPSZ-MRJHHRETSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102609751 557360970 /nfs/dbraw/zinc/36/09/70/557360970.db2.gz CKNKAYBXZNYPSZ-MRJHHRETSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000102691996 557364635 /nfs/dbraw/zinc/36/46/35/557364635.db2.gz SRBWSVMELFJEJV-SELCWUDQSA-N -1 1 447.249 5.055 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000102693928 557364692 /nfs/dbraw/zinc/36/46/92/557364692.db2.gz FBLPMMQKFOSGMI-YDJIHCHBSA-N -1 1 448.500 5.288 50 30 IKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102696608 557364894 /nfs/dbraw/zinc/36/48/94/557364894.db2.gz JJRZHGJEUZJJCB-JBCNATCCSA-N -1 1 444.512 5.639 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000102727304 557370313 /nfs/dbraw/zinc/37/03/13/557370313.db2.gz JEOOHVQHZYKLPK-NHFXJNLRSA-N -1 1 434.835 5.009 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102714328 557374595 /nfs/dbraw/zinc/37/45/95/557374595.db2.gz FFAXGXFFLXBTER-JBCNATCCSA-N -1 1 434.467 5.046 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102804630 557386372 /nfs/dbraw/zinc/38/63/72/557386372.db2.gz BIBJWBBIWYIXEY-NHFXJNLRSA-N -1 1 447.560 5.079 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102804586 557386464 /nfs/dbraw/zinc/38/64/64/557386464.db2.gz FLFRERCQPCCDRT-JBCNATCCSA-N -1 1 444.512 5.386 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102805936 557386883 /nfs/dbraw/zinc/38/68/83/557386883.db2.gz ITVKISHVGHKKJA-YDJIHCHBSA-N -1 1 434.835 5.009 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000102873355 557396242 /nfs/dbraw/zinc/39/62/42/557396242.db2.gz GYBJYOPLFFSZRR-SELCWUDQSA-N -1 1 442.899 5.179 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000102873919 557396244 /nfs/dbraw/zinc/39/62/44/557396244.db2.gz DDQXZYQKEWLMJM-MRJHHRETSA-N -1 1 444.487 5.370 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000102875870 557397283 /nfs/dbraw/zinc/39/72/83/557397283.db2.gz BTYLXIZFJHYXTB-YDJIHCHBSA-N -1 1 448.450 5.201 50 30 IKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102858717 557399485 /nfs/dbraw/zinc/39/94/85/557399485.db2.gz DZUPHVCNUFEGNO-HOGKFDNTSA-N -1 1 448.906 5.150 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102858717 557399487 /nfs/dbraw/zinc/39/94/87/557399487.db2.gz DZUPHVCNUFEGNO-HOGKFDNTSA-N -1 1 448.906 5.150 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102859688 557399757 /nfs/dbraw/zinc/39/97/57/557399757.db2.gz UWMZZDQZVQILKT-MRJHHRETSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102859688 557399759 /nfs/dbraw/zinc/39/97/59/557399759.db2.gz UWMZZDQZVQILKT-MRJHHRETSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102865453 557404508 /nfs/dbraw/zinc/40/45/08/557404508.db2.gz OQGFORKXTOCTTI-JBCNATCCSA-N -1 1 444.487 5.370 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000102895371 557406496 /nfs/dbraw/zinc/40/64/96/557406496.db2.gz YYEFINMTJYEYEN-WOOAAIBNSA-N -1 1 443.286 5.225 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102876972 557406625 /nfs/dbraw/zinc/40/66/25/557406625.db2.gz TUGQIINDJIIWLG-JBCNATCCSA-N -1 1 438.310 5.928 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102876972 557406629 /nfs/dbraw/zinc/40/66/29/557406629.db2.gz TUGQIINDJIIWLG-JBCNATCCSA-N -1 1 438.310 5.928 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)o1 ZINC000102929073 557410821 /nfs/dbraw/zinc/41/08/21/557410821.db2.gz AYBPWPNXBJNANW-NHFXJNLRSA-N -1 1 448.475 5.272 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000102930643 557413997 /nfs/dbraw/zinc/41/39/97/557413997.db2.gz DNOPMMFDKDKMMA-NHFXJNLRSA-N -1 1 425.818 5.245 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000009007937 562966649 /nfs/dbraw/zinc/96/66/49/562966649.db2.gz FZEOTGVBCDNKDA-FQEVSTJZSA-N -1 1 430.485 5.289 50 30 IKEAMM C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3cccs3)c3cc(Cl)c([O-])cc3O2)N1 ZINC000003627456 568751969 /nfs/dbraw/zinc/75/19/69/568751969.db2.gz KXNMAIAKSBGCKU-SPLOXXLWSA-N -1 1 435.014 5.765 50 30 IKEAMM [O-]c1c(I)cccc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 ZINC000001433891 568795615 /nfs/dbraw/zinc/79/56/15/568795615.db2.gz OKBDPQILWUYQOG-WSDLNYQXSA-N -1 1 440.240 5.556 50 30 IKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001450490 568818018 /nfs/dbraw/zinc/81/80/18/568818018.db2.gz GPZYWWTWTRLGPW-QFIPXVFZSA-N -1 1 446.503 5.072 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000001451087 568818597 /nfs/dbraw/zinc/81/85/97/568818597.db2.gz ZETYJBULWHOQEK-INIZCTEOSA-N -1 1 435.288 5.134 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC=CC(=O)c2cccc3ccccc32)cc1 ZINC000006101733 568826012 /nfs/dbraw/zinc/82/60/12/568826012.db2.gz RYGWNMFTJPXJLI-ISLYRVAYSA-N -1 1 442.540 5.758 50 30 IKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009477490 568883525 /nfs/dbraw/zinc/88/35/25/568883525.db2.gz IDCWOTQNBMNRCN-QFIPXVFZSA-N -1 1 448.906 5.307 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009477490 568883527 /nfs/dbraw/zinc/88/35/27/568883527.db2.gz IDCWOTQNBMNRCN-QFIPXVFZSA-N -1 1 448.906 5.307 50 30 IKEAMM CCCCCCc1cc2cc(-c3csc(/N=C/c4ccccc4)n3)c(=O)oc2cc1[O-] ZINC000001813316 568915455 /nfs/dbraw/zinc/91/54/55/568915455.db2.gz FPFCLQTZRHDPKQ-CVKSISIWSA-N -1 1 432.545 6.496 50 30 IKEAMM [O-]c1ccc(Br)cc1C=Nc1nc(-c2ccccc2)cn1N=Cc1ccccc1 ZINC000252593843 569192834 /nfs/dbraw/zinc/19/28/34/569192834.db2.gz BNBBLDQDZZCMRB-UHFFFAOYSA-N -1 1 445.320 5.651 50 30 IKEAMM COc1ccc(-c2nc3cc(N=Cc4cc(C)cc(Br)c4[O-])ccc3o2)cc1 ZINC000252596204 569193210 /nfs/dbraw/zinc/19/32/10/569193210.db2.gz CHEYKAZUNKETNI-UHFFFAOYSA-N -1 1 437.293 6.031 50 30 IKEAMM CC(C)(C)c1cc(Cl)c(O)c(N=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])c1 ZINC000252606176 569194514 /nfs/dbraw/zinc/19/45/14/569194514.db2.gz GQEJWEPVGQONAL-UHFFFAOYSA-N -1 1 427.682 5.470 50 30 IKEAMM [O-]c1ccc(Br)cc1C=Nc1ccccc1N=Cc1c(O)ccc2ccccc12 ZINC000252622973 569201898 /nfs/dbraw/zinc/20/18/98/569201898.db2.gz OGXFNOMCIFLQRW-UHFFFAOYSA-N -1 1 445.316 6.515 50 30 IKEAMM COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1 ZINC000027500958 569216579 /nfs/dbraw/zinc/21/65/79/569216579.db2.gz IJMAFFQIRGMTFQ-ZMOGYAJESA-N -1 1 430.729 6.158 50 30 IKEAMM Cc1cc(/C=N/c2ccc([O-])c(-c3nc4ccccc4[nH]3)c2)c(O)c(Br)c1C ZINC000020075006 569333811 /nfs/dbraw/zinc/33/38/11/569333811.db2.gz MAUCLLMUUZPNGC-BHGWPJFGSA-N -1 1 436.309 5.771 50 30 IKEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)ccc1O ZINC000008464172 569465354 /nfs/dbraw/zinc/46/53/54/569465354.db2.gz QAUAXJHIFMEREE-QFIPXVFZSA-N -1 1 449.890 5.146 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000008743983 569473020 /nfs/dbraw/zinc/47/30/20/569473020.db2.gz SJAHVJFTNQWEOL-GOSISDBHSA-N -1 1 429.259 5.073 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000008836618 569478104 /nfs/dbraw/zinc/47/81/04/569478104.db2.gz NMFAUXJJCPWEBT-MRXNPFEDSA-N -1 1 430.938 5.258 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008919075 569486386 /nfs/dbraw/zinc/48/63/86/569486386.db2.gz HKJLZQPFRGSVSO-OAQYLSRUSA-N -1 1 444.487 5.527 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008919080 569486426 /nfs/dbraw/zinc/48/64/26/569486426.db2.gz HKJLZQPFRGSVSO-NRFANRHFSA-N -1 1 444.487 5.527 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000009019859 569497000 /nfs/dbraw/zinc/49/70/00/569497000.db2.gz FMELKJBETFZWAA-HXUWFJFHSA-N -1 1 425.818 5.401 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009043464 569497854 /nfs/dbraw/zinc/49/78/54/569497854.db2.gz WVONAXLVMLGYRK-OAQYLSRUSA-N -1 1 448.544 5.250 50 30 IKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000009076104 569500320 /nfs/dbraw/zinc/50/03/20/569500320.db2.gz ATNYRXDKWFKKHU-BRJLIKDPSA-N -1 1 435.321 6.639 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009085911 569500531 /nfs/dbraw/zinc/50/05/31/569500531.db2.gz ZSLQAZFYMCBOJZ-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)sc1C ZINC000009123673 569504197 /nfs/dbraw/zinc/50/41/97/569504197.db2.gz IPXNMDZBBAOBAZ-LJQANCHMSA-N -1 1 438.936 5.505 50 30 IKEAMM C=C(C)COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000009130747 569506097 /nfs/dbraw/zinc/50/60/97/569506097.db2.gz LXWHWEQAUGUIRL-UHFFFAOYSA-N -1 1 434.414 5.440 50 30 IKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000009177725 569509711 /nfs/dbraw/zinc/50/97/11/569509711.db2.gz KQQBUTFVBPHWHZ-QFIPXVFZSA-N -1 1 446.890 5.081 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009234752 569513987 /nfs/dbraw/zinc/51/39/87/569513987.db2.gz VKFFDQKYTSFJKJ-HXUWFJFHSA-N -1 1 430.485 5.289 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000009240820 569514660 /nfs/dbraw/zinc/51/46/60/569514660.db2.gz RFTARDFVGPVSQP-FQEVSTJZSA-N -1 1 448.450 5.357 50 30 IKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 ZINC000009271115 569517737 /nfs/dbraw/zinc/51/77/37/569517737.db2.gz MCVJPECZYLSNJA-OAQYLSRUSA-N -1 1 442.496 5.088 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000009271494 569517765 /nfs/dbraw/zinc/51/77/65/569517765.db2.gz UUYCYWLPNAIMEE-OAQYLSRUSA-N -1 1 444.487 5.527 50 30 IKEAMM CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009271602 569517799 /nfs/dbraw/zinc/51/77/99/569517799.db2.gz UIMJMNCRBOQYJC-SFHVURJKSA-N -1 1 440.546 5.003 50 30 IKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009271602 569517800 /nfs/dbraw/zinc/51/78/00/569517800.db2.gz UIMJMNCRBOQYJC-SFHVURJKSA-N -1 1 440.546 5.003 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000009272480 569517909 /nfs/dbraw/zinc/51/79/09/569517909.db2.gz IRHZEHRSRKIZRW-FQEVSTJZSA-N -1 1 425.818 5.401 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000009272869 569518038 /nfs/dbraw/zinc/51/80/38/569518038.db2.gz IRHZEHRSRKIZRW-HXUWFJFHSA-N -1 1 425.818 5.401 50 30 IKEAMM O=C([O-])c1ccc(N=NCc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 ZINC000009291662 569519885 /nfs/dbraw/zinc/51/98/85/569519885.db2.gz OSZWXWWEJSKFAG-RPPGKUMJSA-N -1 1 438.314 6.141 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009357930 569525609 /nfs/dbraw/zinc/52/56/09/569525609.db2.gz OFOKFWYKNUHIHD-HXUWFJFHSA-N -1 1 442.273 5.915 50 30 IKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009477488 569539229 /nfs/dbraw/zinc/53/92/29/569539229.db2.gz IDCWOTQNBMNRCN-JOCHJYFZSA-N -1 1 448.906 5.307 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009477488 569539230 /nfs/dbraw/zinc/53/92/30/569539230.db2.gz IDCWOTQNBMNRCN-JOCHJYFZSA-N -1 1 448.906 5.307 50 30 IKEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009608802 569552204 /nfs/dbraw/zinc/55/22/04/569552204.db2.gz ZRZQVYAFRNBQQO-KRWDZBQOSA-N -1 1 427.545 5.002 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009763870 569566724 /nfs/dbraw/zinc/56/67/24/569566724.db2.gz WHWOLKDIYFNIDC-KRWDZBQOSA-N -1 1 445.327 5.541 50 30 IKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccnc2)cc1 ZINC000009861075 569571932 /nfs/dbraw/zinc/57/19/32/569571932.db2.gz CFHUCWZHPCKDJB-JOCHJYFZSA-N -1 1 432.907 5.641 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009861229 569571959 /nfs/dbraw/zinc/57/19/59/569571959.db2.gz SVVDWRDMLAPSNF-NRFANRHFSA-N -1 1 442.496 5.093 50 30 IKEAMM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000022135311 519002127 /nfs/dbraw/zinc/00/21/27/519002127.db2.gz PIXIVVCSXXSSGG-FQEVSTJZSA-N -1 1 436.895 5.408 50 30 IKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000022135311 519002133 /nfs/dbraw/zinc/00/21/33/519002133.db2.gz PIXIVVCSXXSSGG-FQEVSTJZSA-N -1 1 436.895 5.408 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000013571214 524060223 /nfs/dbraw/zinc/06/02/23/524060223.db2.gz WDYAIVDJJLWZEM-FQEVSTJZSA-N -1 1 446.553 5.703 50 30 IKEAMM Cc1cc2nc(-c3cc(/N=C\c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3O)oc2cc1C ZINC000021947042 525666061 /nfs/dbraw/zinc/66/60/61/525666061.db2.gz NOGRRVMZQBZZHJ-VROXFSQNSA-N -1 1 437.839 5.835 50 30 IKEAMM [O-]c1c(Br)cc(Cl)cc1C=Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000012376866 526324657 /nfs/dbraw/zinc/32/46/57/526324657.db2.gz YKOMKCVESYTECY-FOKLQQMPSA-N -1 1 426.701 6.102 50 30 IKEAMM COc1ccc(-c2nc3cc(/N=C/c4cc(C)cc(Br)c4[O-])ccc3o2)cc1 ZINC000000711650 555547460 /nfs/dbraw/zinc/54/74/60/555547460.db2.gz CHEYKAZUNKETNI-WYMPLXKRSA-N -1 1 437.293 6.031 50 30 IKEAMM O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000001129490 555643646 /nfs/dbraw/zinc/64/36/46/555643646.db2.gz ZZLWRRCVJBKGIH-LJQANCHMSA-N -1 1 449.963 5.692 50 30 IKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000008386565 556162149 /nfs/dbraw/zinc/16/21/49/556162149.db2.gz FERNYWQEPLXRLK-BHGWPJFGSA-N -1 1 441.712 6.675 50 30 IKEAMM COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1COc1ccccc1C1CCCCC1 ZINC000008399104 556165151 /nfs/dbraw/zinc/16/51/51/556165151.db2.gz YLLNITIABQGAHU-GZTJUZNOSA-N -1 1 442.555 6.924 50 30 biogenic,in-vitro IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008743027 556207689 /nfs/dbraw/zinc/20/76/89/556207689.db2.gz VTKNDFGKOGHPSS-SFHVURJKSA-N -1 1 447.249 5.212 50 30 IKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)c1 ZINC000008892303 556230968 /nfs/dbraw/zinc/23/09/68/556230968.db2.gz PHEASQZZEASOHK-JOCHJYFZSA-N -1 1 449.890 5.140 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000008968595 556237127 /nfs/dbraw/zinc/23/71/27/556237127.db2.gz UIRHLVVFWAYYHY-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000009066257 556244899 /nfs/dbraw/zinc/24/48/99/556244899.db2.gz ROZACWHXJRDJAS-IBGZPJMESA-N -1 1 448.525 5.149 50 30 IKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000009066257 556244900 /nfs/dbraw/zinc/24/49/00/556244900.db2.gz ROZACWHXJRDJAS-IBGZPJMESA-N -1 1 448.525 5.149 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009089228 556245886 /nfs/dbraw/zinc/24/58/86/556245886.db2.gz CFJQPANDIBUDTP-HXUWFJFHSA-N -1 1 434.289 5.232 50 30 IKEAMM O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009110181 556247515 /nfs/dbraw/zinc/24/75/15/556247515.db2.gz NYPUIMUEMHXKAX-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009110181 556247518 /nfs/dbraw/zinc/24/75/18/556247518.db2.gz NYPUIMUEMHXKAX-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009110962 556247770 /nfs/dbraw/zinc/24/77/70/556247770.db2.gz RRJSWOPLLUZWEN-OAQYLSRUSA-N -1 1 437.854 5.271 50 30 IKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009184890 556250221 /nfs/dbraw/zinc/25/02/21/556250221.db2.gz MMXPVYJCUOUUPZ-QFIPXVFZSA-N -1 1 431.875 5.326 50 30 IKEAMM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000009241462 556266696 /nfs/dbraw/zinc/26/66/96/556266696.db2.gz TVYGVLXBISWPIF-LJQANCHMSA-N -1 1 436.508 5.363 50 30 IKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009241462 556266698 /nfs/dbraw/zinc/26/66/98/556266698.db2.gz TVYGVLXBISWPIF-LJQANCHMSA-N -1 1 436.508 5.363 50 30 IKEAMM O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccccc1 ZINC000009329779 556282637 /nfs/dbraw/zinc/28/26/37/556282637.db2.gz AJODGYLCVPQYID-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009329779 556282640 /nfs/dbraw/zinc/28/26/40/556282640.db2.gz AJODGYLCVPQYID-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C([N-]C(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)NCc1ccccc1Cl ZINC000013774887 556306968 /nfs/dbraw/zinc/30/69/68/556306968.db2.gz NOTXZCDNUOGNER-UHFFFAOYSA-N -1 1 444.734 5.178 50 30 IKEAMM COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1 ZINC000009993320 556320199 /nfs/dbraw/zinc/32/01/99/556320199.db2.gz JRZVUVPVECGDJQ-NRFANRHFSA-N -1 1 442.496 5.088 50 30 IKEAMM [O-]c1c(Br)cc(CN=Nc2c(Cl)cncc2Cl)cc1Br ZINC000012369564 556403548 /nfs/dbraw/zinc/40/35/48/556403548.db2.gz BMWVMHUSJDJACJ-JFQJCAQQSA-N -1 1 439.922 5.065 50 30 IKEAMM CCCCCCCCOC(=O)c1ccc(OC)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000033353843 556562843 /nfs/dbraw/zinc/56/28/43/556562843.db2.gz XYBIZOIFRTYCDS-UHFFFAOYSA-N -1 1 449.547 6.324 50 30 biogenic IKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000016804837 556643114 /nfs/dbraw/zinc/64/31/14/556643114.db2.gz KQZBNVXCBKXCQO-HSZRJFAPSA-N -1 1 446.478 5.101 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000016804837 556643116 /nfs/dbraw/zinc/64/31/16/556643116.db2.gz KQZBNVXCBKXCQO-HSZRJFAPSA-N -1 1 446.478 5.101 50 30 IKEAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016807392 556644407 /nfs/dbraw/zinc/64/44/07/556644407.db2.gz QTVGNHNGDIGMKF-IBGZPJMESA-N -1 1 437.609 5.596 50 30 IKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016953602 556650065 /nfs/dbraw/zinc/65/00/65/556650065.db2.gz IXJRHWWCUQQFOC-FQEVSTJZSA-N -1 1 445.544 5.048 50 30 IKEAMM C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2OC)c([O-])c1 ZINC000011865069 556664568 /nfs/dbraw/zinc/66/45/68/556664568.db2.gz FRRRHEVSVKWAKH-UHFFFAOYSA-N -1 1 431.414 5.081 50 30 IKEAMM Cc1cc([O-])c2c(CSc3nc4c(c(C(F)(F)F)c3C#N)CCCC4)cc(=O)oc2c1 ZINC000011865306 556664621 /nfs/dbraw/zinc/66/46/21/556664621.db2.gz DQRZRTXJAUFKER-UHFFFAOYSA-N -1 1 446.450 5.264 50 30 IKEAMM CCCCCCCN1C(=O)N(c2ccccc2)[C@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000097949746 556840628 /nfs/dbraw/zinc/84/06/28/556840628.db2.gz ZBSPOWLAHFWGDR-JOCHJYFZSA-N -1 1 438.572 5.927 50 30 IKEAMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169233 556880562 /nfs/dbraw/zinc/88/05/62/556880562.db2.gz ZAMYOWBJLXSHAN-UHFFFAOYSA-N -1 1 425.922 5.289 50 30 IKEAMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)c1 ZINC000033169251 556881846 /nfs/dbraw/zinc/88/18/46/556881846.db2.gz NEUWUIUJEHDQIE-UHFFFAOYSA-N -1 1 425.922 5.289 50 30 IKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793609 557126485 /nfs/dbraw/zinc/12/64/85/557126485.db2.gz FYDPMVYWMHCHNX-IBGZPJMESA-N -1 1 437.609 5.417 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000000707464 557140590 /nfs/dbraw/zinc/14/05/90/557140590.db2.gz SXORILIGIJBYLH-HXUWFJFHSA-N -1 1 441.380 5.627 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000101062654 557218989 /nfs/dbraw/zinc/21/89/89/557218989.db2.gz AQIAOSBTZOGYBE-YDJIHCHBSA-N -1 1 434.289 5.075 50 30 IKEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000101069935 557223716 /nfs/dbraw/zinc/22/37/16/557223716.db2.gz PYMUSMSFXJNWAN-MRJHHRETSA-N -1 1 448.316 5.384 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069917 557223762 /nfs/dbraw/zinc/22/37/62/557223762.db2.gz XPVJOZGNWYXKME-MRJHHRETSA-N -1 1 448.316 5.384 50 30 IKEAMM Cc1cccc(CSc2nnc([N-]C(=O)c3sc4cc(F)ccc4c3Cl)s2)c1 ZINC000027750323 557273225 /nfs/dbraw/zinc/27/32/25/557273225.db2.gz ZTWKAANCWFXYGD-UHFFFAOYSA-N -1 1 449.985 6.782 50 30 IKEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000011024168 557273418 /nfs/dbraw/zinc/27/34/18/557273418.db2.gz BDWARKGJTKUSIN-QGZVFWFLSA-N -1 1 429.611 5.233 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000102490615 557334997 /nfs/dbraw/zinc/33/49/97/557334997.db2.gz BRFUGELAKLJUHF-JBCNATCCSA-N -1 1 437.854 5.114 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102503287 557339241 /nfs/dbraw/zinc/33/92/41/557339241.db2.gz GXLJAAWPPLNJED-ASBZNUFUSA-N -1 1 448.475 5.272 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102507225 557339912 /nfs/dbraw/zinc/33/99/12/557339912.db2.gz XXNYGLZRWUNMGI-JBCNATCCSA-N -1 1 444.487 5.370 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000102535539 557344903 /nfs/dbraw/zinc/34/49/03/557344903.db2.gz YFTNJXYEULJUHS-LFVOPCPISA-N -1 1 438.936 5.348 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000102527640 557354108 /nfs/dbraw/zinc/35/41/08/557354108.db2.gz YLYSEOKMGHQHQR-WOOAAIBNSA-N -1 1 432.526 5.293 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102619229 557359644 /nfs/dbraw/zinc/35/96/44/557359644.db2.gz JZXZXNHFOCTHJU-YDJIHCHBSA-N -1 1 441.380 5.471 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 ZINC000102733514 557372110 /nfs/dbraw/zinc/37/21/10/557372110.db2.gz GRWWAAGOCUTIDK-YDJIHCHBSA-N -1 1 446.553 5.547 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccccc3)sc2c1 ZINC000102735451 557373255 /nfs/dbraw/zinc/37/32/55/557373255.db2.gz ODMCDKCDPHGAPK-NHFXJNLRSA-N -1 1 430.485 5.078 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 ZINC000102735451 557373258 /nfs/dbraw/zinc/37/32/58/557373258.db2.gz ODMCDKCDPHGAPK-NHFXJNLRSA-N -1 1 430.485 5.078 50 30 IKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102803089 557385502 /nfs/dbraw/zinc/38/55/02/557385502.db2.gz XINCQOIJQABJQG-AYWGPLOBSA-N -1 1 447.918 5.673 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102805939 557386912 /nfs/dbraw/zinc/38/69/12/557386912.db2.gz ITVKISHVGHKKJA-NHFXJNLRSA-N -1 1 434.835 5.009 50 30 IKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102801313 557390889 /nfs/dbraw/zinc/39/08/89/557390889.db2.gz MCFRKMOPESMPQG-MOBKVPTQSA-N -1 1 431.875 5.169 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccco3)sc2c1 ZINC000102876310 557395625 /nfs/dbraw/zinc/39/56/25/557395625.db2.gz FULXJBHGTYQXPN-NHFXJNLRSA-N -1 1 448.475 5.217 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102858975 557399409 /nfs/dbraw/zinc/39/94/09/557399409.db2.gz CGUGPNGMUCWTCC-JBCNATCCSA-N -1 1 444.487 5.370 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000102865133 557403952 /nfs/dbraw/zinc/40/39/52/557403952.db2.gz QFQZHKKLTOPBNJ-IBOXJLQUSA-N -1 1 430.938 5.101 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000102864340 557403961 /nfs/dbraw/zinc/40/39/61/557403961.db2.gz ZUYXSMSVFBPRLK-JBCNATCCSA-N -1 1 444.487 5.370 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000102865137 557403988 /nfs/dbraw/zinc/40/39/88/557403988.db2.gz QFQZHKKLTOPBNJ-UYTDBDHRSA-N -1 1 430.938 5.101 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)sc1C ZINC000102864503 557403999 /nfs/dbraw/zinc/40/39/99/557403999.db2.gz CTHXWBFZDBUQQK-WOOAAIBNSA-N -1 1 438.936 5.348 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccccc1 ZINC000102866509 557404360 /nfs/dbraw/zinc/40/43/60/557404360.db2.gz SBBXHXHFEBWASW-NHFXJNLRSA-N -1 1 430.460 5.062 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000102879548 557407283 /nfs/dbraw/zinc/40/72/83/557407283.db2.gz QBAIHOWWWJMBPH-IUKMQXEJSA-N -1 1 448.478 5.500 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000102879550 557407377 /nfs/dbraw/zinc/40/73/77/557407377.db2.gz QBAIHOWWWJMBPH-NPJIAGGLSA-N -1 1 448.478 5.500 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)o1 ZINC000102882429 557408391 /nfs/dbraw/zinc/40/83/91/557408391.db2.gz JXSVYLLCVNFEBG-OBVHCKHUSA-N -1 1 444.512 5.441 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102926326 557410053 /nfs/dbraw/zinc/41/00/53/557410053.db2.gz CEADUZPXBWGMOR-UYTDBDHRSA-N -1 1 431.300 5.076 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000102927251 557410431 /nfs/dbraw/zinc/41/04/31/557410431.db2.gz WXJIVONQSKYAPY-IBOXJLQUSA-N -1 1 430.938 5.101 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C)cc2)o1 ZINC000102929072 557410881 /nfs/dbraw/zinc/41/08/81/557410881.db2.gz AYBPWPNXBJNANW-YDJIHCHBSA-N -1 1 448.475 5.272 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000102931202 557412585 /nfs/dbraw/zinc/41/25/85/557412585.db2.gz IYICTCVVUAHZNQ-YDJIHCHBSA-N -1 1 448.450 5.201 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000102931203 557412606 /nfs/dbraw/zinc/41/26/06/557412606.db2.gz IYICTCVVUAHZNQ-NHFXJNLRSA-N -1 1 448.450 5.201 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2nc3ccccc3n2C(C)C)cc1 ZINC000006079576 562946171 /nfs/dbraw/zinc/94/61/71/562946171.db2.gz CVZAIBUDSGPUEU-PCLIKHOPSA-N -1 1 432.549 5.477 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000006446969 562946781 /nfs/dbraw/zinc/94/67/81/562946781.db2.gz KLHVXTQDXAFNIP-LJQANCHMSA-N -1 1 447.903 5.128 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccn1)c1ccc(Cl)cc1 ZINC000006446971 562946807 /nfs/dbraw/zinc/94/68/07/562946807.db2.gz XAEITZFOJLNUGH-IBGZPJMESA-N -1 1 447.903 5.128 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000009349814 562969456 /nfs/dbraw/zinc/96/94/56/562969456.db2.gz VXQIAZGZAQAYKQ-JOCHJYFZSA-N -1 1 442.427 5.151 50 30 IKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102486492 568621301 /nfs/dbraw/zinc/62/13/01/568621301.db2.gz UJMDAPKVKFTMSA-MRJHHRETSA-N -1 1 448.544 5.093 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000001025858 568653172 /nfs/dbraw/zinc/65/31/72/568653172.db2.gz MRAWDBYNPUTKHY-JOCHJYFZSA-N -1 1 447.874 5.160 50 30 IKEAMM Cc1ccc2nc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4[O-])c3)oc2c1 ZINC000015134393 568663743 /nfs/dbraw/zinc/66/37/43/568663743.db2.gz WAKFQSCGSYXWTC-BRJLIKDPSA-N -1 1 435.321 6.639 50 30 IKEAMM C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3cccs3)c3cc(Cl)c([O-])cc3O2)N1 ZINC000003627457 568751922 /nfs/dbraw/zinc/75/19/22/568751922.db2.gz KXNMAIAKSBGCKU-SZNDQCEHSA-N -1 1 435.014 5.765 50 30 IKEAMM C=CCc1c2c(cc(Br)c1[O-])n(Cc1ccccc1)c(C)c2C(=O)OCC ZINC000096557912 568792984 /nfs/dbraw/zinc/79/29/84/568792984.db2.gz RWZRVUUHFIZYGG-UHFFFAOYSA-N -1 1 428.326 5.371 50 30 IKEAMM Cc1cc(C)c(C#N)c(Oc2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)n1 ZINC000001445935 568807209 /nfs/dbraw/zinc/80/72/09/568807209.db2.gz PKJKYYBQYAYJRF-UHFFFAOYSA-N -1 1 429.501 5.316 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccnc3)nc2c(C)c1 ZINC000006193473 568876613 /nfs/dbraw/zinc/87/66/13/568876613.db2.gz DCNKZFLYBRJGTL-NRFANRHFSA-N -1 1 441.512 5.091 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000104086762 568901394 /nfs/dbraw/zinc/90/13/94/568901394.db2.gz NXUKRGQBLOKKPD-MRJHHRETSA-N -1 1 448.316 5.384 50 30 IKEAMM O=[N+]([O-])c1ccc2c(ccc(O)c2C=Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000252617474 569197868 /nfs/dbraw/zinc/19/78/68/569197868.db2.gz KTNNCXFRXTVYMR-UHFFFAOYSA-N -1 1 441.468 6.187 50 30 IKEAMM Cc1ccc2oc(-c3cccc(N=Cc4c([O-])ccc5cc([N+](=O)[O-])ccc54)c3C)nc2c1 ZINC000252630190 569204075 /nfs/dbraw/zinc/20/40/75/569204075.db2.gz UWTOZTJZJWDZBR-UHFFFAOYSA-N -1 1 437.455 6.629 50 30 IKEAMM [O-]c1cc(N=C/C=C/c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 ZINC000252633125 569205590 /nfs/dbraw/zinc/20/55/90/569205590.db2.gz VZVIXTXZGMNUNK-BLHKWVJFSA-N -1 1 425.340 7.391 50 30 IKEAMM Cc1cc(Br)c([O-])c(C=Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 ZINC000252641145 569209363 /nfs/dbraw/zinc/20/93/63/569209363.db2.gz ZAKNNVYAFPNNGJ-UHFFFAOYSA-N -1 1 441.712 6.675 50 30 IKEAMM CC(C)[C@@H]1c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000020134462 569335694 /nfs/dbraw/zinc/33/56/94/569335694.db2.gz CVHNDELSLUPQBT-KRWDZBQOSA-N -1 1 444.000 5.524 50 30 IKEAMM C=COc1nc2ccccc2nc1[N-]c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000003199723 569441585 /nfs/dbraw/zinc/44/15/85/569441585.db2.gz GXPQQIRSQJMPTA-UHFFFAOYSA-N -1 1 430.467 6.694 50 30 IKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000003255108 569443013 /nfs/dbraw/zinc/44/30/13/569443013.db2.gz ITNARQCETQLHME-UHFFFAOYSA-N -1 1 447.528 5.808 50 30 IKEAMM CCCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000003368538 569448261 /nfs/dbraw/zinc/44/82/61/569448261.db2.gz MSVGXOFQMYYDQE-UHFFFAOYSA-N -1 1 443.565 6.059 50 30 IKEAMM COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc([O-])c(Cl)c3)CC(=O)O4)C2=O)cc1 ZINC000217799481 569453378 /nfs/dbraw/zinc/45/33/78/569453378.db2.gz OGVUEVZLBVSKDA-HQOKVJKCSA-N -1 1 448.858 5.111 50 30 biogenic IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000008818091 569476942 /nfs/dbraw/zinc/47/69/42/569476942.db2.gz UMCKCXRFQIFVNZ-SFHVURJKSA-N -1 1 442.899 5.335 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008827731 569477686 /nfs/dbraw/zinc/47/76/86/569477686.db2.gz FULOFADDMZMQLB-HSZRJFAPSA-N -1 1 446.503 5.288 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008827732 569477690 /nfs/dbraw/zinc/47/76/90/569477690.db2.gz FULOFADDMZMQLB-QHCPKHFHSA-N -1 1 446.503 5.288 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000008854689 569479617 /nfs/dbraw/zinc/47/96/17/569479617.db2.gz WJQZBUOPUBDDJG-OAQYLSRUSA-N -1 1 437.417 5.797 50 30 IKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008857937 569479879 /nfs/dbraw/zinc/47/98/79/569479879.db2.gz HBLGLZQWEYAKKR-JOCHJYFZSA-N -1 1 448.906 5.307 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008857937 569479880 /nfs/dbraw/zinc/47/98/80/569479880.db2.gz HBLGLZQWEYAKKR-JOCHJYFZSA-N -1 1 448.906 5.307 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000008894181 569483624 /nfs/dbraw/zinc/48/36/24/569483624.db2.gz SKDSIEVORVZBEE-IBGZPJMESA-N -1 1 438.936 5.505 50 30 IKEAMM [O-]c1ccccc1N=NC(=NN=c1[nH]c2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000008926297 569487226 /nfs/dbraw/zinc/48/72/26/569487226.db2.gz NWJILJNACPMLER-JBIZZRMRSA-N -1 1 446.514 6.348 50 30 IKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008934783 569487971 /nfs/dbraw/zinc/48/79/71/569487971.db2.gz XJRNJVPPRHJVJP-OAQYLSRUSA-N -1 1 446.528 5.108 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008985584 569494848 /nfs/dbraw/zinc/49/48/48/569494848.db2.gz XDMMNKSTZOZEBT-OAQYLSRUSA-N -1 1 448.544 5.448 50 30 IKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009007962 569496162 /nfs/dbraw/zinc/49/61/62/569496162.db2.gz AWHNIOPWOJZCQF-QFIPXVFZSA-N -1 1 446.890 5.083 50 30 IKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009007962 569496163 /nfs/dbraw/zinc/49/61/63/569496163.db2.gz AWHNIOPWOJZCQF-QFIPXVFZSA-N -1 1 446.890 5.083 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000009008481 569496216 /nfs/dbraw/zinc/49/62/16/569496216.db2.gz YURCHJWWJHELMJ-HXUWFJFHSA-N -1 1 448.475 5.428 50 30 IKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1ccc(C)c(Cl)c1 ZINC000009019320 569496930 /nfs/dbraw/zinc/49/69/30/569496930.db2.gz FUBHKXHBINXWTC-JOCHJYFZSA-N -1 1 433.891 5.440 50 30 IKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000009087293 569500847 /nfs/dbraw/zinc/50/08/47/569500847.db2.gz RIZHIWRNUHMCIA-QHCPKHFHSA-N -1 1 447.918 5.830 50 30 IKEAMM O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000009108766 569501914 /nfs/dbraw/zinc/50/19/14/569501914.db2.gz AVZZHJNMFUSRLU-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009108766 569501915 /nfs/dbraw/zinc/50/19/15/569501915.db2.gz AVZZHJNMFUSRLU-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009144941 569507403 /nfs/dbraw/zinc/50/74/03/569507403.db2.gz XNHVBEDLRGEMGZ-IBGZPJMESA-N -1 1 425.271 5.171 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000009174371 569509599 /nfs/dbraw/zinc/50/95/99/569509599.db2.gz WITXNGJCWMBPKR-NRFANRHFSA-N -1 1 444.487 5.527 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009175110 569509721 /nfs/dbraw/zinc/50/97/21/569509721.db2.gz ZSLQAZFYMCBOJZ-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000009184902 569509966 /nfs/dbraw/zinc/50/99/66/569509966.db2.gz KWIUMPRZTZTLAA-HXUWFJFHSA-N -1 1 446.484 5.071 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)sc1C ZINC000009240905 569514664 /nfs/dbraw/zinc/51/46/64/569514664.db2.gz ZSMVMWZZOMPXAK-SFHVURJKSA-N -1 1 442.899 5.335 50 30 IKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009272868 569518005 /nfs/dbraw/zinc/51/80/05/569518005.db2.gz HJFUXBSXJKJLGI-QFIPXVFZSA-N -1 1 446.890 5.081 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009273020 569518057 /nfs/dbraw/zinc/51/80/57/569518057.db2.gz ZMVXXGLRNXCNKH-NRFANRHFSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009273020 569518058 /nfs/dbraw/zinc/51/80/58/569518058.db2.gz ZMVXXGLRNXCNKH-NRFANRHFSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)o1 ZINC000009334183 569523213 /nfs/dbraw/zinc/52/32/13/569523213.db2.gz RQOJFBYTQYKVCY-FQEVSTJZSA-N -1 1 448.475 5.428 50 30 IKEAMM CC(=O)C1=C(C)Oc2ncn3nc(-c4cc5ccccc5cc4[O-])nc3c2[C@H]1c1ccccc1 ZINC000009348035 569524386 /nfs/dbraw/zinc/52/43/86/569524386.db2.gz FMFNUCYYKLIUEQ-QHCPKHFHSA-N -1 1 448.482 5.037 50 30 IKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000009358757 569525733 /nfs/dbraw/zinc/52/57/33/569525733.db2.gz OHYCVEFUXLAKRX-NRFANRHFSA-N -1 1 437.854 5.271 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 ZINC000009359941 569525825 /nfs/dbraw/zinc/52/58/25/569525825.db2.gz IXRMAEKRFREINH-FQEVSTJZSA-N -1 1 448.475 5.374 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009379859 569527779 /nfs/dbraw/zinc/52/77/79/569527779.db2.gz ALMHUHLBSFVWIG-QFIPXVFZSA-N -1 1 449.890 5.140 50 30 IKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000009380130 569527797 /nfs/dbraw/zinc/52/77/97/569527797.db2.gz XCUAWQHGEKFLGL-JOCHJYFZSA-N -1 1 431.875 5.326 50 30 IKEAMM 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COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)c1 ZINC000016960306 556651236 /nfs/dbraw/zinc/65/12/36/556651236.db2.gz MAHQIFUZWWHCIF-FQEVSTJZSA-N -1 1 445.544 5.048 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000016995576 556652391 /nfs/dbraw/zinc/65/23/91/556652391.db2.gz CFJQPANDIBUDTP-FQEVSTJZSA-N -1 1 434.289 5.232 50 30 IKEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017113159 556668058 /nfs/dbraw/zinc/66/80/58/556668058.db2.gz MGQLKWGCENGDDV-KRWDZBQOSA-N -1 1 429.611 5.170 50 30 IKEAMM O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000017189567 556672222 /nfs/dbraw/zinc/67/22/22/556672222.db2.gz BPTXLLNOTVPMHX-LJQANCHMSA-N -1 1 449.963 5.692 50 30 IKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000019898834 556941316 /nfs/dbraw/zinc/94/13/16/556941316.db2.gz VRAHPYATKVSEBV-JOCHJYFZSA-N -1 1 432.907 5.641 50 30 IKEAMM O=C([O-])c1ccc(Cl)c(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000101055228 557217235 /nfs/dbraw/zinc/21/72/35/557217235.db2.gz NBINDRVGWLWOKJ-NGYBGAFCSA-N -1 1 433.483 5.019 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000101104139 557255609 /nfs/dbraw/zinc/25/56/09/557255609.db2.gz RTKMTWAHZZSDBE-YDJIHCHBSA-N -1 1 434.289 5.075 50 30 IKEAMM CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000100700069 557270536 /nfs/dbraw/zinc/27/05/36/557270536.db2.gz BKWIMUORHSANHY-UHFFFAOYSA-N -1 1 439.684 8.537 50 30 IKEAMM Cc1ccccc1CSc1nnc([N-]C(=O)c2sc3cc(F)ccc3c2Cl)s1 ZINC000027750314 557273135 /nfs/dbraw/zinc/27/31/35/557273135.db2.gz FNFWLXVAHQQESR-UHFFFAOYSA-N -1 1 449.985 6.782 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccccc2Br)cc1 ZINC000101439331 557285422 /nfs/dbraw/zinc/28/54/22/557285422.db2.gz CMXLQZVYZIWOSG-HYARGMPZSA-N -1 1 429.339 5.309 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102603612 557304126 /nfs/dbraw/zinc/30/41/26/557304126.db2.gz XJTAWWFWKDJFSK-MOBKVPTQSA-N -1 1 433.891 5.283 50 30 IKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102368758 557318302 /nfs/dbraw/zinc/31/83/02/557318302.db2.gz LPVSOYZFSIQTAP-MOBKVPTQSA-N -1 1 448.906 5.149 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102488872 557331940 /nfs/dbraw/zinc/33/19/40/557331940.db2.gz LKMVSRQHPNWMJA-OBVHCKHUSA-N -1 1 444.512 5.441 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000102498599 557336704 /nfs/dbraw/zinc/33/67/04/557336704.db2.gz LLWBFZLYYIWVKT-QOJBNDRUSA-N -1 1 446.553 5.601 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102501023 557338249 /nfs/dbraw/zinc/33/82/49/557338249.db2.gz VEXIJUURWJQFRF-JBCNATCCSA-N -1 1 444.487 5.370 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102503277 557339286 /nfs/dbraw/zinc/33/92/86/557339286.db2.gz GXLJAAWPPLNJED-QOJBNDRUSA-N -1 1 448.475 5.272 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000102542079 557348429 /nfs/dbraw/zinc/34/84/29/557348429.db2.gz PSLUQRXRSBXHTG-MRJHHRETSA-N -1 1 444.487 5.370 50 30 IKEAMM CCOc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000102595109 557357243 /nfs/dbraw/zinc/35/72/43/557357243.db2.gz RWRNKYRPZNKWEG-VZGYBGPVSA-N -1 1 425.484 5.268 50 30 IKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000102619025 557359621 /nfs/dbraw/zinc/35/96/21/557359621.db2.gz ZEPFUZRFCKHNMF-MRJHHRETSA-N -1 1 437.854 5.114 50 30 IKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000102624464 557360060 /nfs/dbraw/zinc/36/00/60/557360060.db2.gz BYABYNRGWUNXIM-MOBKVPTQSA-N -1 1 431.875 5.169 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102625856 557360240 /nfs/dbraw/zinc/36/02/40/557360240.db2.gz CDPGZSMPWXGRIE-YDJIHCHBSA-N -1 1 442.273 5.759 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000102692006 557364755 /nfs/dbraw/zinc/36/47/55/557364755.db2.gz SRBWSVMELFJEJV-GHNGSUTGSA-N -1 1 447.249 5.055 50 30 IKEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000102709957 557367578 /nfs/dbraw/zinc/36/75/78/557367578.db2.gz CIASECJJAFKZNO-JBCNATCCSA-N -1 1 436.895 5.386 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000102709957 557367579 /nfs/dbraw/zinc/36/75/79/557367579.db2.gz CIASECJJAFKZNO-JBCNATCCSA-N -1 1 436.895 5.386 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 ZINC000102721271 557368901 /nfs/dbraw/zinc/36/89/01/557368901.db2.gz DRSYIQCDSLXEDX-JBCNATCCSA-N -1 1 444.512 5.386 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000102728708 557370579 /nfs/dbraw/zinc/37/05/79/557370579.db2.gz YQYVRQNEOWQWCO-ZHHPLPSFSA-N -1 1 442.471 5.479 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102732777 557372143 /nfs/dbraw/zinc/37/21/43/557372143.db2.gz COKJKTOCEYAQRT-ZHHPLPSFSA-N -1 1 446.503 5.131 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 ZINC000102803345 557385468 /nfs/dbraw/zinc/38/54/68/557385468.db2.gz SMGNDBIWXRKMJC-SELCWUDQSA-N -1 1 436.514 5.140 50 30 IKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1 ZINC000102803351 557385577 /nfs/dbraw/zinc/38/55/77/557385577.db2.gz MVZFIDBCXKXFHX-GHNGSUTGSA-N -1 1 436.876 5.169 50 30 IKEAMM Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000102799347 557389366 /nfs/dbraw/zinc/38/93/66/557389366.db2.gz OGZVJXQLZSJEIL-SELCWUDQSA-N -1 1 442.899 5.179 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000102799347 557389369 /nfs/dbraw/zinc/38/93/69/557389369.db2.gz OGZVJXQLZSJEIL-SELCWUDQSA-N -1 1 442.899 5.179 50 30 IKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1 ZINC000102800361 557390403 /nfs/dbraw/zinc/39/04/03/557390403.db2.gz XZXPLAAQCYRUHG-SELCWUDQSA-N -1 1 436.489 5.123 50 30 IKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1 ZINC000102800363 557390425 /nfs/dbraw/zinc/39/04/25/557390425.db2.gz XZXPLAAQCYRUHG-GHNGSUTGSA-N -1 1 436.489 5.123 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000102873358 557396158 /nfs/dbraw/zinc/39/61/58/557396158.db2.gz GYBJYOPLFFSZRR-GHNGSUTGSA-N -1 1 442.899 5.179 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000102875867 557397254 /nfs/dbraw/zinc/39/72/54/557397254.db2.gz BTYLXIZFJHYXTB-NHFXJNLRSA-N -1 1 448.450 5.201 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102860765 557401491 /nfs/dbraw/zinc/40/14/91/557401491.db2.gz AMFJTEDWTWCDRX-YDJIHCHBSA-N -1 1 446.553 5.601 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102860768 557401620 /nfs/dbraw/zinc/40/16/20/557401620.db2.gz AMFJTEDWTWCDRX-NHFXJNLRSA-N -1 1 446.553 5.601 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000102863910 557403679 /nfs/dbraw/zinc/40/36/79/557403679.db2.gz LYVLFACVDGUCBI-IBOXJLQUSA-N -1 1 431.300 5.076 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)sc1C ZINC000102864502 557404016 /nfs/dbraw/zinc/40/40/16/557404016.db2.gz CTHXWBFZDBUQQK-LFVOPCPISA-N -1 1 438.936 5.348 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000102895374 557406462 /nfs/dbraw/zinc/40/64/62/557406462.db2.gz YYEFINMTJYEYEN-LFVOPCPISA-N -1 1 443.286 5.225 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000102880073 557407712 /nfs/dbraw/zinc/40/77/12/557407712.db2.gz VFYCESCPIZMDQX-QOJBNDRUSA-N -1 1 448.475 5.272 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)sc1C ZINC000102882002 557408089 /nfs/dbraw/zinc/40/80/89/557408089.db2.gz ZJTZTVJBQOBHSS-GHNGSUTGSA-N -1 1 442.899 5.179 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102926324 557410020 /nfs/dbraw/zinc/41/00/20/557410020.db2.gz CEADUZPXBWGMOR-IBOXJLQUSA-N -1 1 431.300 5.076 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000102927255 557410485 /nfs/dbraw/zinc/41/04/85/557410485.db2.gz WXJIVONQSKYAPY-UYTDBDHRSA-N -1 1 430.938 5.101 50 30 IKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000104224666 557453479 /nfs/dbraw/zinc/45/34/79/557453479.db2.gz LTLUXBLODOXHJH-HOGKFDNTSA-N -1 1 446.934 5.659 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000000702609 562918982 /nfs/dbraw/zinc/91/89/82/562918982.db2.gz MVCVIBZAIIIDLV-FQEVSTJZSA-N -1 1 433.533 5.061 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000008861976 562965466 /nfs/dbraw/zinc/96/54/66/562965466.db2.gz CKBMRUVXIVHHLM-FQEVSTJZSA-N -1 1 434.835 5.166 50 30 IKEAMM COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc([O-])c(Cl)c2)CC(=O)O3)C1=O ZINC000263586833 568759646 /nfs/dbraw/zinc/75/96/46/568759646.db2.gz YKCFBZLHKFKMBQ-NBZOHKLQSA-N -1 1 448.858 5.111 50 30 biogenic IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccnc3)nc2c(C)c1 ZINC000006193471 568876674 /nfs/dbraw/zinc/87/66/74/568876674.db2.gz DCNKZFLYBRJGTL-OAQYLSRUSA-N -1 1 441.512 5.091 50 30 IKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008897813 568877846 /nfs/dbraw/zinc/87/78/46/568877846.db2.gz XJRNJVPPRHJVJP-NRFANRHFSA-N -1 1 446.528 5.108 50 30 IKEAMM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000006600351 568935622 /nfs/dbraw/zinc/93/56/22/568935622.db2.gz RYHYKWNHYLVRBJ-WYMPLXKRSA-N -1 1 433.420 5.272 50 30 IKEAMM CCOc1cc(-c2ccc(F)cc2)nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC000065114712 569106590 /nfs/dbraw/zinc/10/65/90/569106590.db2.gz VRAGTKFIHVHMHM-UHFFFAOYSA-N -1 1 447.491 5.112 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)sc1C ZINC000017147247 569174716 /nfs/dbraw/zinc/17/47/16/569174716.db2.gz NUEIDWCSJXAJPD-MRXNPFEDSA-N -1 1 430.938 5.258 50 30 IKEAMM CCc1ccc2oc(-c3cc(N=Cc4cc([N+](=O)[O-])cc(OC)c4[O-])ccc3O)nc2c1 ZINC000252626681 569203423 /nfs/dbraw/zinc/20/34/23/569203423.db2.gz RDLZAQROXBLBHH-UHFFFAOYSA-N -1 1 433.420 5.136 50 30 IKEAMM CCCCCCCn1c([O-])c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 ZINC000002291848 569268015 /nfs/dbraw/zinc/26/80/15/569268015.db2.gz DFZUYGACPJKFHA-UHFFFAOYSA-N -1 1 447.362 6.237 50 30 IKEAMM Cc1cc(Cl)c(S(=O)(=O)[N-]/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1 ZINC000002306794 569271792 /nfs/dbraw/zinc/27/17/92/569271792.db2.gz TZWGFLJJIXSACP-ZMOGYAJESA-N -1 1 449.359 5.193 50 30 IKEAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1sc(C(=O)OC(C)C)c(C)c1C#N ZINC000002739927 569419244 /nfs/dbraw/zinc/41/92/44/569419244.db2.gz PZNZTARZOUXLMG-UHFFFAOYSA-N -1 1 443.912 5.363 50 30 IKEAMM CCOC(=O)c1sc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C ZINC000002757380 569420212 /nfs/dbraw/zinc/42/02/12/569420212.db2.gz SEFJWQUHBZJQRQ-UHFFFAOYSA-N -1 1 439.345 5.879 50 30 IKEAMM COc1c(F)c(F)c(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(F)c1F ZINC000002879931 569423940 /nfs/dbraw/zinc/42/39/40/569423940.db2.gz LLOYOXZLGXCDFB-VIFPVBQESA-N -1 1 440.462 5.588 50 30 IKEAMM COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc([O-])c(Cl)c3)CC(=O)O4)C2=O)cc1 ZINC000217799398 569453382 /nfs/dbraw/zinc/45/33/82/569453382.db2.gz OGVUEVZLBVSKDA-SOFYTKRASA-N -1 1 448.858 5.111 50 30 biogenic IKEAMM O=C([O-])c1ccccc1N=NCc1ccccc1OCc1ccc(Br)cc1 ZINC000004084731 569458793 /nfs/dbraw/zinc/45/87/93/569458793.db2.gz UTHZSAPTYAGCAN-YDZHTSKRSA-N -1 1 425.282 5.172 50 30 IKEAMM CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc([N+](=O)[O-])c(Br)cc2[O-])c1 ZINC000004181462 569460753 /nfs/dbraw/zinc/46/07/53/569460753.db2.gz DWQLCIIJZDXOKX-DNTJNYDQSA-N -1 1 427.682 5.470 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008740995 569472976 /nfs/dbraw/zinc/47/29/76/569472976.db2.gz KVZNFTVLSSYOJF-FQEVSTJZSA-N -1 1 448.475 5.374 50 30 IKEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008744026 569473023 /nfs/dbraw/zinc/47/30/23/569473023.db2.gz LOTPWLREWPFQNY-OAQYLSRUSA-N -1 1 436.895 5.543 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008744026 569473024 /nfs/dbraw/zinc/47/30/24/569473024.db2.gz LOTPWLREWPFQNY-OAQYLSRUSA-N -1 1 436.895 5.543 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008771630 569475233 /nfs/dbraw/zinc/47/52/33/569475233.db2.gz DRUSWDWYHSPSDA-SFHVURJKSA-N -1 1 429.259 5.073 50 30 IKEAMM C/C(=N\[O-])[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000008789863 569476010 /nfs/dbraw/zinc/47/60/10/569476010.db2.gz DSFGOUABGWEHRO-JRUDZWHXSA-N -1 1 449.591 5.772 50 30 biogenic IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000008817344 569476859 /nfs/dbraw/zinc/47/68/59/569476859.db2.gz UMCKCXRFQIFVNZ-GOSISDBHSA-N -1 1 442.899 5.335 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000008818142 569476902 /nfs/dbraw/zinc/47/69/02/569476902.db2.gz MFMWGLPWFDZYFX-HXUWFJFHSA-N -1 1 430.460 5.218 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)o1 ZINC000008836262 569477997 /nfs/dbraw/zinc/47/79/97/569477997.db2.gz MBAWOVYVMBPVCE-LJQANCHMSA-N -1 1 434.448 5.120 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000008837564 569478246 /nfs/dbraw/zinc/47/82/46/569478246.db2.gz VXBSRSYNUKZIOX-FQEVSTJZSA-N -1 1 448.475 5.428 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000009008482 569496249 /nfs/dbraw/zinc/49/62/49/569496249.db2.gz YURCHJWWJHELMJ-FQEVSTJZSA-N -1 1 448.475 5.428 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000009018955 569496841 /nfs/dbraw/zinc/49/68/41/569496841.db2.gz FMELKJBETFZWAA-FQEVSTJZSA-N -1 1 425.818 5.401 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 ZINC000009020045 569496948 /nfs/dbraw/zinc/49/69/48/569496948.db2.gz CAIOWLYTAFINAI-QHCPKHFHSA-N -1 1 447.462 5.016 50 30 IKEAMM COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1CSc1nc2ccccc2s1 ZINC000009065266 569499679 /nfs/dbraw/zinc/49/96/79/569499679.db2.gz PWZIBQSESXXLPX-WUXMJOGZSA-N -1 1 433.554 6.199 50 30 IKEAMM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cccc([N+](=O)[O-])c4c3Cl)sc2C1 ZINC000009066824 569499939 /nfs/dbraw/zinc/49/99/39/569499939.db2.gz MANPOKGAQFMFDX-VIFPVBQESA-N -1 1 431.926 5.773 50 30 IKEAMM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cccc([N+](=O)[O-])c4c3Cl)sc2C1 ZINC000009066819 569499949 /nfs/dbraw/zinc/49/99/49/569499949.db2.gz MANPOKGAQFMFDX-SECBINFHSA-N -1 1 431.926 5.773 50 30 IKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 ZINC000009184904 569510002 /nfs/dbraw/zinc/51/00/02/569510002.db2.gz KWIUMPRZTZTLAA-FQEVSTJZSA-N -1 1 446.484 5.071 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccs2)cc1 ZINC000009271189 569517757 /nfs/dbraw/zinc/51/77/57/569517757.db2.gz FUJHIFBXSHDIEA-GOSISDBHSA-N -1 1 440.546 5.003 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccs2)cc1 ZINC000009271188 569517774 /nfs/dbraw/zinc/51/77/74/569517774.db2.gz FUJHIFBXSHDIEA-SFHVURJKSA-N -1 1 440.546 5.003 50 30 IKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009271601 569517820 /nfs/dbraw/zinc/51/78/20/569517820.db2.gz UIMJMNCRBOQYJC-GOSISDBHSA-N -1 1 440.546 5.003 50 30 IKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009271601 569517821 /nfs/dbraw/zinc/51/78/21/569517821.db2.gz UIMJMNCRBOQYJC-GOSISDBHSA-N -1 1 440.546 5.003 50 30 IKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1 ZINC000009272181 569517916 /nfs/dbraw/zinc/51/79/16/569517916.db2.gz WJIGZNABDHCGEH-JOCHJYFZSA-N -1 1 433.891 5.522 50 30 IKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009272479 569517934 /nfs/dbraw/zinc/51/79/34/569517934.db2.gz HJFUXBSXJKJLGI-JOCHJYFZSA-N -1 1 446.890 5.081 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)sc1C ZINC000009280212 569518551 /nfs/dbraw/zinc/51/85/51/569518551.db2.gz MGNDMWQWNBDPQE-SFHVURJKSA-N -1 1 442.899 5.335 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 ZINC000009359939 569525781 /nfs/dbraw/zinc/52/57/81/569525781.db2.gz IXRMAEKRFREINH-HXUWFJFHSA-N -1 1 448.475 5.374 50 30 IKEAMM COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000009362759 569525864 /nfs/dbraw/zinc/52/58/64/569525864.db2.gz KIUQVNXXFIFBTF-QFIPXVFZSA-N -1 1 433.891 5.440 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009370684 569526781 /nfs/dbraw/zinc/52/67/81/569526781.db2.gz XIZYHBSYRMMUKS-MRXNPFEDSA-N -1 1 431.300 5.233 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009374697 569527070 /nfs/dbraw/zinc/52/70/70/569527070.db2.gz MYLZHQLBGNDDDQ-FQEVSTJZSA-N -1 1 441.380 5.627 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009373997 569527101 /nfs/dbraw/zinc/52/71/01/569527101.db2.gz UXTPZGVLHFSGCQ-HXUWFJFHSA-N -1 1 442.273 5.915 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009380265 569527904 /nfs/dbraw/zinc/52/79/04/569527904.db2.gz QRNLQRUOYZBTQK-NRFANRHFSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009380265 569527905 /nfs/dbraw/zinc/52/79/05/569527905.db2.gz QRNLQRUOYZBTQK-NRFANRHFSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009380607 569527989 /nfs/dbraw/zinc/52/79/89/569527989.db2.gz QRNLQRUOYZBTQK-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009380607 569527990 /nfs/dbraw/zinc/52/79/90/569527990.db2.gz QRNLQRUOYZBTQK-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009461026 569537039 /nfs/dbraw/zinc/53/70/39/569537039.db2.gz FXHGIRNXNZEHNV-NRFANRHFSA-N -1 1 444.512 5.796 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000009461675 569537058 /nfs/dbraw/zinc/53/70/58/569537058.db2.gz ISLGWEDFAXFHSJ-IBGZPJMESA-N -1 1 443.286 5.381 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000009462908 569537396 /nfs/dbraw/zinc/53/73/96/569537396.db2.gz GRPULRAITOAXSH-NRFANRHFSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000009462908 569537397 /nfs/dbraw/zinc/53/73/97/569537397.db2.gz GRPULRAITOAXSH-NRFANRHFSA-N -1 1 448.862 5.340 50 30 IKEAMM CCCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009608863 569552238 /nfs/dbraw/zinc/55/22/38/569552238.db2.gz SFNQSRDYNIYEOC-IBGZPJMESA-N -1 1 437.609 5.561 50 30 IKEAMM CCCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009608867 569552258 /nfs/dbraw/zinc/55/22/58/569552258.db2.gz SFNQSRDYNIYEOC-LJQANCHMSA-N -1 1 437.609 5.561 50 30 IKEAMM CCCn1c2ccccc2nc1/N=C/c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009679858 569559884 /nfs/dbraw/zinc/55/98/84/569559884.db2.gz DUMHKXNXSGAPIM-KOEQRZSOSA-N -1 1 432.549 5.306 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009763882 569566711 /nfs/dbraw/zinc/56/67/11/569566711.db2.gz JYBMJHLXAWDXDQ-INIZCTEOSA-N -1 1 431.300 5.233 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009993305 569576929 /nfs/dbraw/zinc/57/69/29/569576929.db2.gz KBUZBABDLMXTCF-FQEVSTJZSA-N -1 1 446.915 5.733 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009993304 569576936 /nfs/dbraw/zinc/57/69/36/569576936.db2.gz KBUZBABDLMXTCF-HXUWFJFHSA-N -1 1 446.915 5.733 50 30 IKEAMM CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000012736730 519821801 /nfs/dbraw/zinc/82/18/01/519821801.db2.gz QFYBVQLVAZZPEV-JTQLQIEISA-N -1 1 429.752 5.220 50 30 IKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000104182679 519840208 /nfs/dbraw/zinc/84/02/08/519840208.db2.gz BCDPESCVCNJTCL-WOOAAIBNSA-N -1 1 438.936 5.546 50 30 IKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000104182679 519840209 /nfs/dbraw/zinc/84/02/09/519840209.db2.gz BCDPESCVCNJTCL-WOOAAIBNSA-N -1 1 438.936 5.546 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000013552106 525048374 /nfs/dbraw/zinc/04/83/74/525048374.db2.gz FFBZHSIFRFVTDC-FQEVSTJZSA-N -1 1 434.835 5.166 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000013552108 525048505 /nfs/dbraw/zinc/04/85/05/525048505.db2.gz FFBZHSIFRFVTDC-HXUWFJFHSA-N -1 1 434.835 5.166 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009993312 526269985 /nfs/dbraw/zinc/26/99/85/526269985.db2.gz ISYJWWGJKBBYDV-FQEVSTJZSA-N -1 1 430.460 5.218 50 30 IKEAMM [O-]/N=C(\c1ccccc1)[C@@]1(c2ccccc2)CCC(c2ccccc2)=C(c2ccccc2)O1 ZINC000071767273 527590270 /nfs/dbraw/zinc/59/02/70/527590270.db2.gz SCLPXTHLYLDYNO-QMMFTLRZSA-N -1 1 431.535 7.139 50 30 IKEAMM O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2Cl)C1=C([O-])c1ccccc1 ZINC000000856619 555571327 /nfs/dbraw/zinc/57/13/27/555571327.db2.gz GXIDLLVAGNKJCN-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000000856619 555571329 /nfs/dbraw/zinc/57/13/29/555571329.db2.gz GXIDLLVAGNKJCN-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2ccccc2s1 ZINC000006459052 556089603 /nfs/dbraw/zinc/08/96/03/556089603.db2.gz IYWQSLCVXDSORP-OAQYLSRUSA-N -1 1 442.496 5.088 50 30 IKEAMM COc1ccc(C=Nn2cn[n-]c2=S)cc1COc1ccccc1Cc1ccccc1 ZINC000002790217 556139338 /nfs/dbraw/zinc/13/93/38/556139338.db2.gz VUNSUTQEHBHTDM-CVKSISIWSA-N -1 1 430.533 5.001 50 30 IKEAMM Cc1cc(=O)oc2c1ccc([O-])c2CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000008399120 556165130 /nfs/dbraw/zinc/16/51/30/556165130.db2.gz PNORUVCVLCSBBV-LQKURTRISA-N -1 1 448.482 5.377 50 30 IKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000008827585 556224611 /nfs/dbraw/zinc/22/46/11/556224611.db2.gz ZYABHEFXDHFXBQ-QHCPKHFHSA-N -1 1 446.503 5.206 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000008914675 556231987 /nfs/dbraw/zinc/23/19/87/556231987.db2.gz IMYBGGKDASVCGA-HXUWFJFHSA-N -1 1 447.560 5.235 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000008914674 556232043 /nfs/dbraw/zinc/23/20/43/556232043.db2.gz IMYBGGKDASVCGA-FQEVSTJZSA-N -1 1 447.560 5.235 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)c(OC)c1 ZINC000009046709 556243039 /nfs/dbraw/zinc/24/30/39/556243039.db2.gz ZOUWHWFPLPEONG-JOCHJYFZSA-N -1 1 449.890 5.140 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000009065412 556244465 /nfs/dbraw/zinc/24/44/65/556244465.db2.gz WYCYFJNWELPIOU-IBGZPJMESA-N -1 1 425.271 5.171 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000009184905 556250591 /nfs/dbraw/zinc/25/05/91/556250591.db2.gz HFIPUAZTFXUPLH-GOSISDBHSA-N -1 1 442.899 5.335 50 30 IKEAMM O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccccc1 ZINC000009329780 556282616 /nfs/dbraw/zinc/28/26/16/556282616.db2.gz AJODGYLCVPQYID-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009329780 556282619 /nfs/dbraw/zinc/28/26/19/556282619.db2.gz AJODGYLCVPQYID-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccccc1 ZINC000009363607 556285839 /nfs/dbraw/zinc/28/58/39/556285839.db2.gz YPIBYYRTHJTVPV-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009363607 556285842 /nfs/dbraw/zinc/28/58/42/556285842.db2.gz YPIBYYRTHJTVPV-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009482751 556294256 /nfs/dbraw/zinc/29/42/56/556294256.db2.gz UWCGSSAXVGVYTG-RUZDIDTESA-N -1 1 432.520 5.003 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000009993325 556320057 /nfs/dbraw/zinc/32/00/57/556320057.db2.gz PESMSLZLKCJSHT-HXUWFJFHSA-N -1 1 430.460 5.218 50 30 IKEAMM Cc1cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c([O-])c(Br)c1C ZINC000003087343 556519663 /nfs/dbraw/zinc/51/96/63/556519663.db2.gz SSUVVFZDIWKZGY-WYMPLXKRSA-N -1 1 437.362 6.799 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccncc2)cc1 ZINC000016741315 556635178 /nfs/dbraw/zinc/63/51/78/556635178.db2.gz NOJQMHIZVDVQQG-NRFANRHFSA-N -1 1 441.512 5.091 50 30 IKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N3)cc1 ZINC000016807380 556644484 /nfs/dbraw/zinc/64/44/84/556644484.db2.gz GDPKHQIRNMEXRX-OAQYLSRUSA-N -1 1 443.572 5.244 50 30 IKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N3)cc1 ZINC000016807381 556644491 /nfs/dbraw/zinc/64/44/91/556644491.db2.gz GDPKHQIRNMEXRX-NRFANRHFSA-N -1 1 443.572 5.244 50 30 IKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)c1 ZINC000016960304 556651105 /nfs/dbraw/zinc/65/11/05/556651105.db2.gz MAHQIFUZWWHCIF-HXUWFJFHSA-N -1 1 445.544 5.048 50 30 IKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000017121679 556668309 /nfs/dbraw/zinc/66/83/09/556668309.db2.gz PDRVXBFJQMIYBD-GOSISDBHSA-N -1 1 443.638 5.479 50 30 IKEAMM O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000017189571 556672260 /nfs/dbraw/zinc/67/22/60/556672260.db2.gz BPTXLLNOTVPMHX-IBGZPJMESA-N -1 1 449.963 5.692 50 30 IKEAMM O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000017189614 556672292 /nfs/dbraw/zinc/67/22/92/556672292.db2.gz HYXHVBPDTHCYGJ-IBGZPJMESA-N -1 1 433.508 5.178 50 30 IKEAMM N#Cc1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000032932340 556675685 /nfs/dbraw/zinc/67/56/85/556675685.db2.gz ZLMHMGXECIMAPD-UHFFFAOYSA-N -1 1 427.485 5.213 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000101062656 557219048 /nfs/dbraw/zinc/21/90/48/557219048.db2.gz AQIAOSBTZOGYBE-NHFXJNLRSA-N -1 1 434.289 5.075 50 30 IKEAMM O=C(Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000098052696 557232520 /nfs/dbraw/zinc/23/25/20/557232520.db2.gz DUXWIYXHHGNUJU-UHFFFAOYSA-N -1 1 431.254 5.270 50 30 in-vitro IKEAMM CCc1ccc(-c2nc3cc(/N=C/c4c([O-])ccc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1 ZINC000100503690 557262787 /nfs/dbraw/zinc/26/27/87/557262787.db2.gz QJTWQQJSAYULSE-JFLMPSFJSA-N -1 1 437.455 6.575 50 30 IKEAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)c1 ZINC000023134088 557305191 /nfs/dbraw/zinc/30/51/91/557305191.db2.gz HPQRMUHBRASWHU-UHFFFAOYSA-N -1 1 447.560 5.158 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102401955 557320856 /nfs/dbraw/zinc/32/08/56/557320856.db2.gz CAGWHKOMOXFQJN-WOOAAIBNSA-N -1 1 438.574 5.571 50 30 IKEAMM Cc1cc(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1C ZINC000100132770 557331702 /nfs/dbraw/zinc/33/17/02/557331702.db2.gz KIBPQVOMHVYXAY-BRJLIKDPSA-N -1 1 444.756 6.472 50 30 IKEAMM Cc1cc(C)c(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])c1 ZINC000100132114 557331770 /nfs/dbraw/zinc/33/17/70/557331770.db2.gz YWDKKANSXIBPNY-BRJLIKDPSA-N -1 1 444.756 6.472 50 30 IKEAMM CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102501568 557338192 /nfs/dbraw/zinc/33/81/92/557338192.db2.gz MHYAJTQWIMJGKN-HOGKFDNTSA-N -1 1 433.891 5.365 50 30 IKEAMM CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102501576 557338230 /nfs/dbraw/zinc/33/82/30/557338230.db2.gz MHYAJTQWIMJGKN-MOBKVPTQSA-N -1 1 433.891 5.365 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102507235 557339800 /nfs/dbraw/zinc/33/98/00/557339800.db2.gz XXNYGLZRWUNMGI-MRJHHRETSA-N -1 1 444.487 5.370 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102506620 557339847 /nfs/dbraw/zinc/33/98/47/557339847.db2.gz ZAYNSVPITQDRCW-NHFXJNLRSA-N -1 1 448.450 5.201 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102535858 557345103 /nfs/dbraw/zinc/34/51/03/557345103.db2.gz LHBNCNIDBBNVIY-MRJHHRETSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102535858 557345104 /nfs/dbraw/zinc/34/51/04/557345104.db2.gz LHBNCNIDBBNVIY-MRJHHRETSA-N -1 1 448.862 5.183 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000102528539 557354129 /nfs/dbraw/zinc/35/41/29/557354129.db2.gz ZWAAUTXRPQCQGQ-WOOAAIBNSA-N -1 1 425.271 5.015 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102568234 557354296 /nfs/dbraw/zinc/35/42/96/557354296.db2.gz BAABDVIXYBAOLD-YDJIHCHBSA-N -1 1 425.818 5.245 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102568242 557354442 /nfs/dbraw/zinc/35/44/42/557354442.db2.gz BAABDVIXYBAOLD-NHFXJNLRSA-N -1 1 425.818 5.245 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Br)c2)cc1 ZINC000102553286 557358394 /nfs/dbraw/zinc/35/83/94/557358394.db2.gz SQPCACGGUYLTEZ-JBCNATCCSA-N -1 1 448.316 5.384 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102625862 557360237 /nfs/dbraw/zinc/36/02/37/557360237.db2.gz CDPGZSMPWXGRIE-NHFXJNLRSA-N -1 1 442.273 5.759 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000102609361 557360563 /nfs/dbraw/zinc/36/05/63/557360563.db2.gz NBJGHJSMIDKCJL-NHFXJNLRSA-N -1 1 441.380 5.471 50 30 IKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102696612 557364877 /nfs/dbraw/zinc/36/48/77/557364877.db2.gz JJRZHGJEUZJJCB-MRJHHRETSA-N -1 1 444.512 5.639 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102732775 557372156 /nfs/dbraw/zinc/37/21/56/557372156.db2.gz COKJKTOCEYAQRT-AYWGPLOBSA-N -1 1 446.503 5.131 50 30 IKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000102734622 557372463 /nfs/dbraw/zinc/37/24/63/557372463.db2.gz IJKRRXXQVUBBKI-ZHHPLPSFSA-N -1 1 446.503 5.050 50 30 IKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102803086 557385632 /nfs/dbraw/zinc/38/56/32/557385632.db2.gz XINCQOIJQABJQG-ZHHPLPSFSA-N -1 1 447.918 5.673 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 ZINC000102803347 557385706 /nfs/dbraw/zinc/38/57/06/557385706.db2.gz SMGNDBIWXRKMJC-GHNGSUTGSA-N -1 1 436.514 5.140 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102874371 557396112 /nfs/dbraw/zinc/39/61/12/557396112.db2.gz FEGKTRBVPUAEJG-YDJIHCHBSA-N -1 1 430.485 5.132 50 30 IKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102858715 557399396 /nfs/dbraw/zinc/39/93/96/557399396.db2.gz DZUPHVCNUFEGNO-MOBKVPTQSA-N -1 1 448.906 5.150 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102858715 557399398 /nfs/dbraw/zinc/39/93/98/557399398.db2.gz DZUPHVCNUFEGNO-MOBKVPTQSA-N -1 1 448.906 5.150 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102925306 557409728 /nfs/dbraw/zinc/40/97/28/557409728.db2.gz YZYOGDQIWSWHSP-MRJHHRETSA-N -1 1 448.544 5.093 50 30 IKEAMM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000102927420 557410440 /nfs/dbraw/zinc/41/04/40/557410440.db2.gz BDMQWHROPODKCK-WOOAAIBNSA-N -1 1 436.508 5.206 50 30 IKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102927420 557410443 /nfs/dbraw/zinc/41/04/43/557410443.db2.gz BDMQWHROPODKCK-WOOAAIBNSA-N -1 1 436.508 5.206 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000102928314 557410500 /nfs/dbraw/zinc/41/05/00/557410500.db2.gz AIPXHOOUQFXYBZ-LFVOPCPISA-N -1 1 438.936 5.348 50 30 IKEAMM CCCCCCCCCn1c([O-])c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 ZINC000102931608 557412692 /nfs/dbraw/zinc/41/26/92/557412692.db2.gz NQOFYLJEKKBTTK-UHFFFAOYSA-N -1 1 434.580 6.327 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000102932770 557413022 /nfs/dbraw/zinc/41/30/22/557413022.db2.gz RLERMIWFBYDRCK-QOJBNDRUSA-N -1 1 430.485 5.132 50 30 IKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1ccc(F)cc1 ZINC000104134871 557450986 /nfs/dbraw/zinc/45/09/86/557450986.db2.gz HIBCPDDLSNBMJZ-MRJHHRETSA-N -1 1 437.854 5.114 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)c(OC)c1 ZINC000009370648 562969600 /nfs/dbraw/zinc/96/96/00/562969600.db2.gz QAWKLARQMMWEKW-JOCHJYFZSA-N -1 1 449.890 5.140 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)c(OC)c1 ZINC000009370650 562969613 /nfs/dbraw/zinc/96/96/13/562969613.db2.gz QAWKLARQMMWEKW-QFIPXVFZSA-N -1 1 449.890 5.140 50 30 IKEAMM COC(=O)c1sc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C ZINC000001077950 568654847 /nfs/dbraw/zinc/65/48/47/568654847.db2.gz WTTFEPDTGBBKGA-UHFFFAOYSA-N -1 1 425.318 5.489 50 30 IKEAMM Cc1cc(Br)c(O)c(/C=N\c2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000015134300 568663932 /nfs/dbraw/zinc/66/39/32/568663932.db2.gz GUMNIPNVVIJYCB-KSEXSDGBSA-N -1 1 439.334 6.196 50 30 IKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000003368331 568747538 /nfs/dbraw/zinc/74/75/38/568747538.db2.gz UAWSSBZOZQJNLA-UHFFFAOYSA-N -1 1 429.538 5.669 50 30 IKEAMM [O-]c1c(I)cccc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000001433848 568795657 /nfs/dbraw/zinc/79/56/57/568795657.db2.gz MAPNXSLHDIZZGA-WSDLNYQXSA-N -1 1 440.240 5.556 50 30 IKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000001480037 568824063 /nfs/dbraw/zinc/82/40/63/568824063.db2.gz NYBXNMGBHFAUHO-FQEVSTJZSA-N -1 1 446.528 5.054 50 30 IKEAMM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)cc1C ZINC000013785470 568824110 /nfs/dbraw/zinc/82/41/10/568824110.db2.gz BHWDXUGRKZDAQU-MOSHPQCFSA-N -1 1 433.558 5.742 50 30 IKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000001480038 568824154 /nfs/dbraw/zinc/82/41/54/568824154.db2.gz NYBXNMGBHFAUHO-HXUWFJFHSA-N -1 1 446.528 5.054 50 30 IKEAMM COc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])cc1OC ZINC000001501449 568832215 /nfs/dbraw/zinc/83/22/15/568832215.db2.gz VGRJLELFCNHQMK-ZVHZXABRSA-N -1 1 426.310 5.513 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000006239978 568880749 /nfs/dbraw/zinc/88/07/49/568880749.db2.gz 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O=C(Nc1cccc(/N=C/c2c([O-])ccc3cc([N+](=O)[O-])ccc32)c1)c1ccc(F)cc1 ZINC000001502286 569212371 /nfs/dbraw/zinc/21/23/71/569212371.db2.gz QFEZWFRCHPQZST-VULFUBBASA-N -1 1 429.407 5.596 50 30 IKEAMM Cc1cc2nc(-c3ccc(/N=C/c4cc(C)c(C)c(Br)c4[O-])cc3)oc2cc1C ZINC000003087389 569213133 /nfs/dbraw/zinc/21/31/33/569213133.db2.gz MEAOYMHKDRWVOK-RPPGKUMJSA-N -1 1 449.348 6.947 50 30 IKEAMM CCc1c([O-])c(C(C)=NOCc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000252614688 569288443 /nfs/dbraw/zinc/28/84/43/569288443.db2.gz JLVBJKQPWCETHB-UHFFFAOYSA-N -1 1 438.527 5.713 50 30 IKEAMM CCc1cc(SCc2cc(=O)oc3cc([O-])ccc23)n2c3ccccc3nc2c1C#N ZINC000013113036 569310465 /nfs/dbraw/zinc/31/04/65/569310465.db2.gz KGQLOJBVNUMUSM-UHFFFAOYSA-N -1 1 427.485 5.026 50 30 IKEAMM CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccc([O-])cc3)c2C#N)cc1 ZINC000019337679 569318486 /nfs/dbraw/zinc/31/84/86/569318486.db2.gz RELFNOLRKRNDGX-UHFFFAOYSA-N -1 1 442.544 5.097 50 30 IKEAMM N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc([O-])c(O)c1 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/nfs/dbraw/zinc/49/62/11/569496211.db2.gz AWHNIOPWOJZCQF-JOCHJYFZSA-N -1 1 446.890 5.083 50 30 IKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009007963 569496212 /nfs/dbraw/zinc/49/62/12/569496212.db2.gz AWHNIOPWOJZCQF-JOCHJYFZSA-N -1 1 446.890 5.083 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)cc1OC ZINC000009019004 569496816 /nfs/dbraw/zinc/49/68/16/569496816.db2.gz WLEOBYFYPYTMKM-QFIPXVFZSA-N -1 1 449.890 5.140 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000009020044 569496969 /nfs/dbraw/zinc/49/69/69/569496969.db2.gz CAIOWLYTAFINAI-HSZRJFAPSA-N -1 1 447.462 5.016 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000009043059 569497873 /nfs/dbraw/zinc/49/78/73/569497873.db2.gz OKTCCZOTRGHVAI-FQEVSTJZSA-N -1 1 448.450 5.357 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000009046297 569498327 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O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009046270 556242898 /nfs/dbraw/zinc/24/28/98/556242898.db2.gz VXDXCRGRXUBKCO-FQEVSTJZSA-N -1 1 448.450 5.357 50 30 IKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009184889 556250137 /nfs/dbraw/zinc/25/01/37/556250137.db2.gz MMXPVYJCUOUUPZ-JOCHJYFZSA-N -1 1 431.875 5.326 50 30 IKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009240502 556266340 /nfs/dbraw/zinc/26/63/40/556266340.db2.gz SLTINVFCIDBTMO-JOCHJYFZSA-N -1 1 446.890 5.083 50 30 IKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009240502 556266342 /nfs/dbraw/zinc/26/63/42/556266342.db2.gz SLTINVFCIDBTMO-JOCHJYFZSA-N -1 1 446.890 5.083 50 30 IKEAMM CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000009312224 556280419 /nfs/dbraw/zinc/28/04/19/556280419.db2.gz LJOHDXCOSBONGV-LJQANCHMSA-N -1 1 445.544 5.425 50 30 IKEAMM Cc1c(OC/C(=N\[O-])c2ccc(Cl)cc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000013773580 556305948 /nfs/dbraw/zinc/30/59/48/556305948.db2.gz SXTWFWLDLALBNI-WEMUOSSPSA-N -1 1 447.918 5.911 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C=NNc2ccccc2Br)cc1 ZINC000013895887 556329301 /nfs/dbraw/zinc/32/93/01/556329301.db2.gz QRHCEQAWIRZJJZ-HYARGMPZSA-N -1 1 444.354 5.004 50 30 IKEAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000016346450 556601373 /nfs/dbraw/zinc/60/13/73/556601373.db2.gz RJDAKOJTSQFYTN-CQSZACIVSA-N -1 1 436.364 5.143 50 30 IKEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000016361193 556602345 /nfs/dbraw/zinc/60/23/45/556602345.db2.gz PJJAFTPIZNPITC-KRWDZBQOSA-N -1 1 429.973 5.126 50 30 IKEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016779347 556641014 /nfs/dbraw/zinc/64/10/14/556641014.db2.gz APMCBNXDEBYPDP-APPDUMDISA-N -1 1 429.611 5.231 50 30 IKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041240 556653909 /nfs/dbraw/zinc/65/39/09/556653909.db2.gz HAQHFPKDKNJNHC-FQEVSTJZSA-N -1 1 447.535 5.487 50 30 IKEAMM C=C(C)COc1ccc(-c2nc(N)nc(C)c2Oc2ccccc2Br)c([O-])c1 ZINC000011865073 556664700 /nfs/dbraw/zinc/66/47/00/556664700.db2.gz INRPOLXZULZPLN-UHFFFAOYSA-N -1 1 442.313 5.250 50 30 IKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@H]2c1ccccc1 ZINC000017242395 556674152 /nfs/dbraw/zinc/67/41/52/556674152.db2.gz APLKEYLPLCHNJF-FQEVSTJZSA-N -1 1 443.572 5.675 50 30 IKEAMM CCCCCCCN1C(=O)N(c2ccccc2)[C@@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000097949747 556840679 /nfs/dbraw/zinc/84/06/79/556840679.db2.gz ZBSPOWLAHFWGDR-QFIPXVFZSA-N -1 1 438.572 5.927 50 30 IKEAMM COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1COc1ccccc1C1CCCCC1 ZINC000096936286 557009517 /nfs/dbraw/zinc/00/95/17/557009517.db2.gz YLLNITIABQGAHU-BOPFTXTBSA-N -1 1 442.555 6.924 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000101075852 557225701 /nfs/dbraw/zinc/22/57/01/557225701.db2.gz CUZHAURJCHYASZ-NHFXJNLRSA-N -1 1 434.289 5.075 50 30 IKEAMM CCCCn1c2ccccc2nc1/N=C/c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000018120939 557238358 /nfs/dbraw/zinc/23/83/58/557238358.db2.gz LJOIKMBDMABBKI-NLRVBDNBSA-N -1 1 446.576 5.696 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)c1ccccc1 ZINC000101104140 557255627 /nfs/dbraw/zinc/25/56/27/557255627.db2.gz RTKMTWAHZZSDBE-NHFXJNLRSA-N -1 1 434.289 5.075 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102603606 557304113 /nfs/dbraw/zinc/30/41/13/557304113.db2.gz XJTAWWFWKDJFSK-HOGKFDNTSA-N -1 1 433.891 5.283 50 30 IKEAMM Cc1c(OC/C(=N/[O-])c2ccc(Cl)cc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000100110397 557313431 /nfs/dbraw/zinc/31/34/31/557313431.db2.gz SXTWFWLDLALBNI-NFFVHWSESA-N -1 1 447.918 5.911 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1 ZINC000102501012 557338174 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/nfs/dbraw/zinc/35/66/99/557356699.db2.gz UMQVFVJDTWTEQV-MOBKVPTQSA-N -1 1 433.891 5.283 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102613899 557359196 /nfs/dbraw/zinc/35/91/96/557359196.db2.gz GRDAQYUSBOMGDQ-JBCNATCCSA-N -1 1 438.310 5.928 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102613899 557359201 /nfs/dbraw/zinc/35/92/01/557359201.db2.gz GRDAQYUSBOMGDQ-JBCNATCCSA-N -1 1 438.310 5.928 50 30 IKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102621439 557359631 /nfs/dbraw/zinc/35/96/31/557359631.db2.gz MEOYOBMIGCKVMI-AYWGPLOBSA-N -1 1 446.503 5.178 50 30 IKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000102619019 557359686 /nfs/dbraw/zinc/35/96/86/557359686.db2.gz ZEPFUZRFCKHNMF-JBCNATCCSA-N -1 1 437.854 5.114 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000102733516 557372048 /nfs/dbraw/zinc/37/20/48/557372048.db2.gz GRWWAAGOCUTIDK-NHFXJNLRSA-N -1 1 446.553 5.547 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102804621 557386552 /nfs/dbraw/zinc/38/65/52/557386552.db2.gz RBUCHGOSYOAKIV-YDJIHCHBSA-N -1 1 448.475 5.217 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccco3)sc2c1 ZINC000102805148 557386800 /nfs/dbraw/zinc/38/68/00/557386800.db2.gz HGMBSJAACADSDG-NHFXJNLRSA-N -1 1 430.485 5.078 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)sc1C ZINC000102800343 557390192 /nfs/dbraw/zinc/39/01/92/557390192.db2.gz RQNQQYQBGQKQKM-IBOXJLQUSA-N -1 1 430.938 5.101 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102874376 557396548 /nfs/dbraw/zinc/39/65/48/557396548.db2.gz FEGKTRBVPUAEJG-NHFXJNLRSA-N -1 1 430.485 5.132 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102858971 557399472 /nfs/dbraw/zinc/39/94/72/557399472.db2.gz CGUGPNGMUCWTCC-MRJHHRETSA-N -1 1 444.487 5.370 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000100439826 557403414 /nfs/dbraw/zinc/40/34/14/557403414.db2.gz SRZSCRJSEZOMRE-YDJIHCHBSA-N -1 1 434.289 5.075 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000102863912 557403688 /nfs/dbraw/zinc/40/36/88/557403688.db2.gz LYVLFACVDGUCBI-UYTDBDHRSA-N -1 1 431.300 5.076 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102876974 557406738 /nfs/dbraw/zinc/40/67/38/557406738.db2.gz TUGQIINDJIIWLG-MRJHHRETSA-N -1 1 438.310 5.928 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102876974 557406739 /nfs/dbraw/zinc/40/67/39/557406739.db2.gz TUGQIINDJIIWLG-MRJHHRETSA-N -1 1 438.310 5.928 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000102880075 557407814 /nfs/dbraw/zinc/40/78/14/557407814.db2.gz VFYCESCPIZMDQX-ASBZNUFUSA-N -1 1 448.475 5.272 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2Cl)cc1Cl ZINC000102930990 557412783 /nfs/dbraw/zinc/41/27/83/557412783.db2.gz HJHGJWDSOMTVAL-JBCNATCCSA-N -1 1 438.310 5.928 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1Cl ZINC000102930990 557412785 /nfs/dbraw/zinc/41/27/85/557412785.db2.gz HJHGJWDSOMTVAL-JBCNATCCSA-N -1 1 438.310 5.928 50 30 IKEAMM COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000104101301 557450366 /nfs/dbraw/zinc/45/03/66/557450366.db2.gz RMIMPNSDTLFUQX-JBCNATCCSA-N -1 1 437.854 5.114 50 30 IKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000104101301 557450368 /nfs/dbraw/zinc/45/03/68/557450368.db2.gz RMIMPNSDTLFUQX-JBCNATCCSA-N -1 1 437.854 5.114 50 30 IKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000104224670 557453461 /nfs/dbraw/zinc/45/34/61/557453461.db2.gz LTLUXBLODOXHJH-MOBKVPTQSA-N -1 1 446.934 5.659 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000006446972 562946768 /nfs/dbraw/zinc/94/67/68/562946768.db2.gz KLHVXTQDXAFNIP-IBGZPJMESA-N -1 1 447.903 5.128 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000001451088 568818677 /nfs/dbraw/zinc/81/86/77/568818677.db2.gz ZETYJBULWHOQEK-MRXNPFEDSA-N -1 1 435.288 5.134 50 30 IKEAMM C=CCc1c(C)nc(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2)[n-]c1=O ZINC000018100379 568852511 /nfs/dbraw/zinc/85/25/11/568852511.db2.gz NNBPSDYVRGRLBD-UHFFFAOYSA-N -1 1 435.936 5.532 50 30 IKEAMM COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000102589221 568886455 /nfs/dbraw/zinc/88/64/55/568886455.db2.gz UMQVFVJDTWTEQV-HOGKFDNTSA-N -1 1 433.891 5.283 50 30 IKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1 ZINC000017057241 569171997 /nfs/dbraw/zinc/17/19/97/569171997.db2.gz QSCBHLWORUNFBM-SFHVURJKSA-N -1 1 436.876 5.326 50 30 IKEAMM Cc1cc(=O)oc2c1ccc([O-])c2CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000252624418 569202821 /nfs/dbraw/zinc/20/28/21/569202821.db2.gz PNORUVCVLCSBBV-UHFFFAOYSA-N -1 1 448.482 5.377 50 30 IKEAMM O=[N+]([O-])c1ccc2c(ccc([O-])c2C=Nc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000252639512 569208308 /nfs/dbraw/zinc/20/83/08/569208308.db2.gz YLAYICMIVDQPCF-UHFFFAOYSA-N -1 1 425.469 6.481 50 30 IKEAMM Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4cccc(C#N)c4)cc3)n2)cc1C ZINC000013360715 569314039 /nfs/dbraw/zinc/31/40/39/569314039.db2.gz CDPAECUEMJKYNG-UHFFFAOYSA-N -1 1 429.501 5.298 50 30 IKEAMM CCCCOc1ccc(NSC(=S)[N-]c2cc(C)nc(SCCCC)n2)cc1 ZINC000096562575 569401168 /nfs/dbraw/zinc/40/11/68/569401168.db2.gz QBXBQVQGCMGVSS-UHFFFAOYSA-N -1 1 436.672 6.534 50 30 IKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000004150329 569460499 /nfs/dbraw/zinc/46/04/99/569460499.db2.gz KNCPPOGHVALJQT-GOSISDBHSA-N -1 1 427.570 5.010 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008741058 569472936 /nfs/dbraw/zinc/47/29/36/569472936.db2.gz WJEPMNBLTRWJAB-NRFANRHFSA-N -1 1 444.512 5.543 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008741058 569472937 /nfs/dbraw/zinc/47/29/37/569472937.db2.gz WJEPMNBLTRWJAB-NRFANRHFSA-N -1 1 444.512 5.543 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccccc1 ZINC000008817534 569476945 /nfs/dbraw/zinc/47/69/45/569476945.db2.gz MFMWGLPWFDZYFX-FQEVSTJZSA-N -1 1 430.460 5.218 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)o1 ZINC000008817537 569476963 /nfs/dbraw/zinc/47/69/63/569476963.db2.gz HBQGFLGBTVZPQP-NRFANRHFSA-N -1 1 444.512 5.597 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3cc(Cl)ccc3O)cc2)cc1 ZINC000008844389 569478586 /nfs/dbraw/zinc/47/85/86/569478586.db2.gz WUFMTJSBUSOEBA-WUXMJOGZSA-N -1 1 427.909 5.051 50 30 IKEAMM C=CCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000008934122 569487889 /nfs/dbraw/zinc/48/78/89/569487889.db2.gz FWFBMORQGDLJPJ-SFHVURJKSA-N -1 1 449.338 5.449 50 30 IKEAMM CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000008951398 569489847 /nfs/dbraw/zinc/48/98/47/569489847.db2.gz UNEWJJCUZQOVOH-LEBHLANCSA-N -1 1 441.003 5.097 50 30 IKEAMM Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008951403 569489852 /nfs/dbraw/zinc/48/98/52/569489852.db2.gz QLQURPUFSUZIKX-ORWNMUSCSA-N -1 1 449.001 5.344 50 30 IKEAMM Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N([O-])C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008951404 569489911 /nfs/dbraw/zinc/48/99/11/569489911.db2.gz QLQURPUFSUZIKX-QQZPLFJDSA-N -1 1 449.001 5.344 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000009008750 569496395 /nfs/dbraw/zinc/49/63/95/569496395.db2.gz XTXKQCXRYHKGAZ-IBGZPJMESA-N -1 1 438.936 5.505 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000009041812 569497590 /nfs/dbraw/zinc/49/75/90/569497590.db2.gz JSFKICSOFRAUDZ-IBGZPJMESA-N -1 1 432.526 5.449 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009043461 569497806 /nfs/dbraw/zinc/49/78/06/569497806.db2.gz WVONAXLVMLGYRK-NRFANRHFSA-N -1 1 448.544 5.250 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000009043055 569497870 /nfs/dbraw/zinc/49/78/70/569497870.db2.gz OKTCCZOTRGHVAI-HXUWFJFHSA-N -1 1 448.450 5.357 50 30 IKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009071254 569500103 /nfs/dbraw/zinc/50/01/03/569500103.db2.gz GSQMNIJJUNRINL-NRFANRHFSA-N -1 1 448.544 5.250 50 30 IKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000009177717 569509674 /nfs/dbraw/zinc/50/96/74/569509674.db2.gz KQQBUTFVBPHWHZ-JOCHJYFZSA-N -1 1 446.890 5.081 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009178591 569509827 /nfs/dbraw/zinc/50/98/27/569509827.db2.gz PRRJUAPXNLMRCP-LJQANCHMSA-N -1 1 434.448 5.120 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000009234041 569513894 /nfs/dbraw/zinc/51/38/94/569513894.db2.gz TUOYNQGJFHENKH-LJQANCHMSA-N -1 1 438.574 5.728 50 30 IKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009243279 569514865 /nfs/dbraw/zinc/51/48/65/569514865.db2.gz XKQKLJWHSKBKCX-HSZRJFAPSA-N -1 1 446.503 5.335 50 30 IKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009243279 569514866 /nfs/dbraw/zinc/51/48/66/569514866.db2.gz XKQKLJWHSKBKCX-HSZRJFAPSA-N -1 1 446.503 5.335 50 30 IKEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000009272499 569517912 /nfs/dbraw/zinc/51/79/12/569517912.db2.gz IRYULHGESAUXQR-OAQYLSRUSA-N -1 1 448.316 5.540 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc32)s1 ZINC000009301876 569520803 /nfs/dbraw/zinc/52/08/03/569520803.db2.gz ZTEXITHKHWRTMF-OAQYLSRUSA-N -1 1 441.512 5.091 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009358681 569525674 /nfs/dbraw/zinc/52/56/74/569525674.db2.gz UXTPZGVLHFSGCQ-FQEVSTJZSA-N -1 1 442.273 5.915 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl ZINC000009370730 569526794 /nfs/dbraw/zinc/52/67/94/569526794.db2.gz WLSWQWVNLFYOOH-NRFANRHFSA-N -1 1 438.310 6.085 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl ZINC000009370730 569526795 /nfs/dbraw/zinc/52/67/95/569526795.db2.gz WLSWQWVNLFYOOH-NRFANRHFSA-N -1 1 438.310 6.085 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000009370809 569526797 /nfs/dbraw/zinc/52/67/97/569526797.db2.gz LREHHTWOUITJQE-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000009370809 569526798 /nfs/dbraw/zinc/52/67/98/569526798.db2.gz LREHHTWOUITJQE-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000009454079 569536661 /nfs/dbraw/zinc/53/66/61/569536661.db2.gz ZNHQUHCKIGMDLT-HSZRJFAPSA-N -1 1 446.503 5.117 50 30 IKEAMM CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000012736728 519799836 /nfs/dbraw/zinc/79/98/36/519799836.db2.gz QFYBVQLVAZZPEV-SNVBAGLBSA-N -1 1 429.752 5.220 50 30 IKEAMM CCCCCCCC/C=C\CCCCCCCC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000060272634 519968698 /nfs/dbraw/zinc/96/86/98/519968698.db2.gz KIZIRRWZTGNUCT-KTKRTIGZSA-N -1 1 439.644 6.891 50 30 IKEAMM CCn1cc(/C=C2/Oc3c(ccc([O-])c3CN(C)Cc3ccccc3)C2=O)c2ccccc21 ZINC000020648521 523304702 /nfs/dbraw/zinc/30/47/02/523304702.db2.gz FKXGRIWUNAQTNC-CVKSISIWSA-N -1 1 438.527 5.615 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000008892354 525221973 /nfs/dbraw/zinc/22/19/73/525221973.db2.gz GNKVJRZBFROKGL-OAQYLSRUSA-N -1 1 437.854 5.271 50 30 IKEAMM Cc1cc([O-])c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020649337 525312355 /nfs/dbraw/zinc/31/23/55/525312355.db2.gz VIUPTGSGSRJIOU-OYKKKHCWSA-N -1 1 425.484 5.695 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3ccccc3OC(F)F)cc2)cc1 ZINC000013133686 525597336 /nfs/dbraw/zinc/59/73/36/525597336.db2.gz BASBCDVYIVEQBY-XNTDXEJSSA-N -1 1 443.471 5.293 50 30 IKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793613 526047837 /nfs/dbraw/zinc/04/78/37/526047837.db2.gz FYDPMVYWMHCHNX-LJQANCHMSA-N -1 1 437.609 5.417 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000022135376 526270833 /nfs/dbraw/zinc/27/08/33/526270833.db2.gz CQFWDBFXSUJVMU-LJQANCHMSA-N -1 1 425.271 5.171 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl ZINC000012689188 526271548 /nfs/dbraw/zinc/27/15/48/526271548.db2.gz HBKUQAPSXBYYDG-MRXNPFEDSA-N -1 1 431.300 5.233 50 30 IKEAMM [O-]/N=C(\c1ccccc1)[C@]1(c2ccccc2)CCC(c2ccccc2)=C(c2ccccc2)O1 ZINC000071767274 527590163 /nfs/dbraw/zinc/59/01/63/527590163.db2.gz SCLPXTHLYLDYNO-VEZPTTSMSA-N -1 1 431.535 7.139 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000000702437 555543405 /nfs/dbraw/zinc/54/34/05/555543405.db2.gz WTPSFZPLVCHCAL-NRFANRHFSA-N -1 1 447.560 5.370 50 30 IKEAMM O=C1CCCC2=C1[C@H](c1ccccc1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000001129493 555643700 /nfs/dbraw/zinc/64/37/00/555643700.db2.gz ZZLWRRCVJBKGIH-IBGZPJMESA-N -1 1 449.963 5.692 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001199627 555677942 /nfs/dbraw/zinc/67/79/42/555677942.db2.gz OORWVNVDYBEJOM-IBGZPJMESA-N -1 1 425.271 5.171 50 30 IKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 ZINC000002186445 555755566 /nfs/dbraw/zinc/75/55/66/555755566.db2.gz ZAKNNVYAFPNNGJ-BHGWPJFGSA-N -1 1 441.712 6.675 50 30 IKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)c1 ZINC000006239651 556081928 /nfs/dbraw/zinc/08/19/28/556081928.db2.gz PHEASQZZEASOHK-QFIPXVFZSA-N -1 1 449.890 5.140 50 30 IKEAMM [O-]c1ccc(Br)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1 ZINC000008437368 556173714 /nfs/dbraw/zinc/17/37/14/556173714.db2.gz BNBBLDQDZZCMRB-OAMFTAOGSA-N -1 1 445.320 5.651 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008740571 556206131 /nfs/dbraw/zinc/20/61/31/556206131.db2.gz WGDCIXFXFONXPR-OAQYLSRUSA-N -1 1 434.467 5.203 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)c1ccccc1 ZINC000009007667 556239974 /nfs/dbraw/zinc/23/99/74/556239974.db2.gz PCRKUKVZFKDURX-FQEVSTJZSA-N -1 1 434.289 5.232 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)c(OC)c1 ZINC000009046710 556243122 /nfs/dbraw/zinc/24/31/22/556243122.db2.gz ZOUWHWFPLPEONG-QFIPXVFZSA-N -1 1 449.890 5.140 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000009065408 556244475 /nfs/dbraw/zinc/24/44/75/556244475.db2.gz WYCYFJNWELPIOU-LJQANCHMSA-N -1 1 425.271 5.171 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000009089010 556245795 /nfs/dbraw/zinc/24/57/95/556245795.db2.gz PTGBUASYOOSAHH-QFIPXVFZSA-N -1 1 449.890 5.140 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000009184906 556250598 /nfs/dbraw/zinc/25/05/98/556250598.db2.gz HFIPUAZTFXUPLH-SFHVURJKSA-N -1 1 442.899 5.335 50 30 IKEAMM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000009241464 556266658 /nfs/dbraw/zinc/26/66/58/556266658.db2.gz TVYGVLXBISWPIF-IBGZPJMESA-N -1 1 436.508 5.363 50 30 IKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009241464 556266660 /nfs/dbraw/zinc/26/66/60/556266660.db2.gz TVYGVLXBISWPIF-IBGZPJMESA-N -1 1 436.508 5.363 50 30 IKEAMM O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccccc1 ZINC000009379704 556286790 /nfs/dbraw/zinc/28/67/90/556286790.db2.gz XXDZLOJRLNTJLA-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009379704 556286793 /nfs/dbraw/zinc/28/67/93/556286793.db2.gz XXDZLOJRLNTJLA-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009482753 556294160 /nfs/dbraw/zinc/29/41/60/556294160.db2.gz UWCGSSAXVGVYTG-VWLOTQADSA-N -1 1 432.520 5.003 50 30 IKEAMM O=c1[n-]c(NN=Cc2ccc(Br)cc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000013764663 556302511 /nfs/dbraw/zinc/30/25/11/556302511.db2.gz UOWICHDFQYVCOI-AFUMVMLFSA-N -1 1 449.352 5.013 50 30 IKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1ccccn1 ZINC000009781045 556308512 /nfs/dbraw/zinc/30/85/12/556308512.db2.gz QMGDOYHVSKMPAY-HXUWFJFHSA-N -1 1 444.560 5.070 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009763879 556308646 /nfs/dbraw/zinc/30/86/46/556308646.db2.gz DYCLQCJUNQRXSY-LJQANCHMSA-N -1 1 425.271 5.171 50 30 IKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@H]2c1ccccn1 ZINC000009781042 556308716 /nfs/dbraw/zinc/30/87/16/556308716.db2.gz QMGDOYHVSKMPAY-FQEVSTJZSA-N -1 1 444.560 5.070 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000009993316 556320081 /nfs/dbraw/zinc/32/00/81/556320081.db2.gz BUVYCAUITHXWQB-FQEVSTJZSA-N -1 1 430.460 5.218 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009993310 556320155 /nfs/dbraw/zinc/32/01/55/556320155.db2.gz ISYJWWGJKBBYDV-HXUWFJFHSA-N -1 1 430.460 5.218 50 30 IKEAMM COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1 ZINC000009993318 556320186 /nfs/dbraw/zinc/32/01/86/556320186.db2.gz JRZVUVPVECGDJQ-OAQYLSRUSA-N -1 1 442.496 5.088 50 30 IKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009993299 556320209 /nfs/dbraw/zinc/32/02/09/556320209.db2.gz CZOXHFHTSMQAGM-NRFANRHFSA-N -1 1 442.496 5.088 50 30 IKEAMM COc1ccc(/C=N\c2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1Br ZINC000003092130 556520009 /nfs/dbraw/zinc/52/00/09/556520009.db2.gz XPUJOBRGAJEGEO-FMCGGJTJSA-N -1 1 439.334 6.191 50 30 IKEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016779351 556640991 /nfs/dbraw/zinc/64/09/91/556640991.db2.gz APMCBNXDEBYPDP-GTNSWQLSSA-N -1 1 429.611 5.231 50 30 IKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041229 556653805 /nfs/dbraw/zinc/65/38/05/556653805.db2.gz DGXCFJFAVRPPGK-HXUWFJFHSA-N -1 1 429.545 5.347 50 30 IKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041232 556653814 /nfs/dbraw/zinc/65/38/14/556653814.db2.gz DGXCFJFAVRPPGK-FQEVSTJZSA-N -1 1 429.545 5.347 50 30 IKEAMM O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000017189610 556672324 /nfs/dbraw/zinc/67/23/24/556672324.db2.gz HYXHVBPDTHCYGJ-LJQANCHMSA-N -1 1 433.508 5.178 50 30 IKEAMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033169030 556881133 /nfs/dbraw/zinc/88/11/33/556881133.db2.gz KUAKICQVDSRRMZ-UHFFFAOYSA-N -1 1 425.922 5.289 50 30 IKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000019898833 556941458 /nfs/dbraw/zinc/94/14/58/556941458.db2.gz VRAHPYATKVSEBV-QFIPXVFZSA-N -1 1 432.907 5.641 50 30 IKEAMM CCCCCCCCCOc1ccc(-c2ccc(CCCCCCCCC)cn2)c([O-])c1 ZINC000098044746 557046071 /nfs/dbraw/zinc/04/60/71/557046071.db2.gz QMGYWYBIYBRMPG-UHFFFAOYSA-N -1 1 439.684 8.877 50 30 IKEAMM Cc1cc(Cl)c(S(=O)(=O)[N-]/N=C\c2ccc(OCc3ccccc3)cc2)c(Cl)c1 ZINC000033352643 557128130 /nfs/dbraw/zinc/12/81/30/557128130.db2.gz TZWGFLJJIXSACP-CFRMEGHHSA-N -1 1 449.359 5.193 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000101075851 557225792 /nfs/dbraw/zinc/22/57/92/557225792.db2.gz CUZHAURJCHYASZ-YDJIHCHBSA-N -1 1 434.289 5.075 50 30 IKEAMM Cc1ccc2oc(-c3cccc(/N=C/c4c([O-])ccc5cc([N+](=O)[O-])ccc54)c3C)nc2c1 ZINC000100502250 557262633 /nfs/dbraw/zinc/26/26/33/557262633.db2.gz UWTOZTJZJWDZBR-MZJWZYIUSA-N -1 1 437.455 6.629 50 30 IKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102368764 557318394 /nfs/dbraw/zinc/31/83/94/557318394.db2.gz LPVSOYZFSIQTAP-HOGKFDNTSA-N -1 1 448.906 5.149 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102401953 557321019 /nfs/dbraw/zinc/32/10/19/557321019.db2.gz CAGWHKOMOXFQJN-LFVOPCPISA-N -1 1 438.574 5.571 50 30 IKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102484826 557331077 /nfs/dbraw/zinc/33/10/77/557331077.db2.gz YNCMWBGODJXPGF-MOBKVPTQSA-N -1 1 448.906 5.150 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102484826 557331083 /nfs/dbraw/zinc/33/10/83/557331083.db2.gz YNCMWBGODJXPGF-MOBKVPTQSA-N -1 1 448.906 5.150 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccc(Br)cc2)cc1 ZINC000100139965 557332994 /nfs/dbraw/zinc/33/29/94/557332994.db2.gz CPVPUQOQDUTXIY-HYARGMPZSA-N -1 1 429.339 5.309 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102533894 557344256 /nfs/dbraw/zinc/34/42/56/557344256.db2.gz RGPZFPVPVVZFBS-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102533894 557344259 /nfs/dbraw/zinc/34/42/59/557344259.db2.gz RGPZFPVPVVZFBS-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1ccc(C)c(Cl)c1 ZINC000102589444 557356607 /nfs/dbraw/zinc/35/66/07/557356607.db2.gz JAXAOKXPROZBAT-HOGKFDNTSA-N -1 1 433.891 5.283 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000102609357 557360692 /nfs/dbraw/zinc/36/06/92/557360692.db2.gz NBJGHJSMIDKCJL-YDJIHCHBSA-N -1 1 441.380 5.471 50 30 IKEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000102709964 557367590 /nfs/dbraw/zinc/36/75/90/557367590.db2.gz CIASECJJAFKZNO-MRJHHRETSA-N -1 1 436.895 5.386 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000102709964 557367591 /nfs/dbraw/zinc/36/75/91/557367591.db2.gz CIASECJJAFKZNO-MRJHHRETSA-N -1 1 436.895 5.386 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 ZINC000102727301 557370262 /nfs/dbraw/zinc/37/02/62/557370262.db2.gz JEOOHVQHZYKLPK-YDJIHCHBSA-N -1 1 434.835 5.009 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000102733494 557372208 /nfs/dbraw/zinc/37/22/08/557372208.db2.gz VMMJRYHVAXCGIV-JBCNATCCSA-N -1 1 444.512 5.386 50 30 IKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000102734620 557372408 /nfs/dbraw/zinc/37/24/08/557372408.db2.gz IJKRRXXQVUBBKI-AYWGPLOBSA-N -1 1 446.503 5.050 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000102735447 557372870 /nfs/dbraw/zinc/37/28/70/557372870.db2.gz ODMCDKCDPHGAPK-YDJIHCHBSA-N -1 1 430.485 5.078 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000102735447 557372873 /nfs/dbraw/zinc/37/28/73/557372873.db2.gz ODMCDKCDPHGAPK-YDJIHCHBSA-N -1 1 430.485 5.078 50 30 IKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000102803353 557385563 /nfs/dbraw/zinc/38/55/63/557385563.db2.gz MVZFIDBCXKXFHX-SELCWUDQSA-N -1 1 436.876 5.169 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccs3)sc2c1 ZINC000102804449 557386391 /nfs/dbraw/zinc/38/63/91/557386391.db2.gz AJLACHGHSQMVBT-NHFXJNLRSA-N -1 1 446.553 5.547 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102804633 557386401 /nfs/dbraw/zinc/38/64/01/557386401.db2.gz BIBJWBBIWYIXEY-YDJIHCHBSA-N -1 1 447.560 5.079 50 30 IKEAMM Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000102799351 557389397 /nfs/dbraw/zinc/38/93/97/557389397.db2.gz OGZVJXQLZSJEIL-GHNGSUTGSA-N -1 1 442.899 5.179 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000102799351 557389401 /nfs/dbraw/zinc/38/94/01/557389401.db2.gz OGZVJXQLZSJEIL-GHNGSUTGSA-N -1 1 442.899 5.179 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)sc1C ZINC000102882000 557408048 /nfs/dbraw/zinc/40/80/48/557408048.db2.gz ZJTZTVJBQOBHSS-SELCWUDQSA-N -1 1 442.899 5.179 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)o1 ZINC000102882425 557408463 /nfs/dbraw/zinc/40/84/63/557408463.db2.gz JXSVYLLCVNFEBG-PGVNHDJNSA-N -1 1 444.512 5.441 50 30 IKEAMM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000102927416 557410522 /nfs/dbraw/zinc/41/05/22/557410522.db2.gz BDMQWHROPODKCK-LFVOPCPISA-N -1 1 436.508 5.206 50 30 IKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102927416 557410525 /nfs/dbraw/zinc/41/05/25/557410525.db2.gz BDMQWHROPODKCK-LFVOPCPISA-N -1 1 436.508 5.206 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000102930640 557413877 /nfs/dbraw/zinc/41/38/77/557413877.db2.gz DNOPMMFDKDKMMA-YDJIHCHBSA-N -1 1 425.818 5.245 50 30 IKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000104182674 557452451 /nfs/dbraw/zinc/45/24/51/557452451.db2.gz BCDPESCVCNJTCL-LFVOPCPISA-N -1 1 438.936 5.546 50 30 IKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000104182674 557452452 /nfs/dbraw/zinc/45/24/52/557452452.db2.gz BCDPESCVCNJTCL-LFVOPCPISA-N -1 1 438.936 5.546 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000000702610 562918986 /nfs/dbraw/zinc/91/89/86/562918986.db2.gz MVCVIBZAIIIDLV-HXUWFJFHSA-N -1 1 433.533 5.061 50 30 IKEAMM CCNc1c2ccccc2oc(=O)c1/N=C(\[O-])c1cc(OCC)c(OCC)c(OCC)c1 ZINC000008594556 562953048 /nfs/dbraw/zinc/95/30/48/562953048.db2.gz PFLIWBDMIAGMRO-UHFFFAOYSA-N -1 1 440.496 5.057 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000001025853 568653094 /nfs/dbraw/zinc/65/30/94/568653094.db2.gz MRAWDBYNPUTKHY-QFIPXVFZSA-N -1 1 447.874 5.160 50 30 IKEAMM C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3cccs3)c3cc(Cl)c([O-])cc3O2)N1 ZINC000003627459 568751926 /nfs/dbraw/zinc/75/19/26/568751926.db2.gz KXNMAIAKSBGCKU-LHSJRXKWSA-N -1 1 435.014 5.765 50 30 IKEAMM COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc([O-])c(Cl)c2)CC(=O)O3)C1=O ZINC000263586834 568759659 /nfs/dbraw/zinc/75/96/59/568759659.db2.gz YKCFBZLHKFKMBQ-SJJOQSKNSA-N -1 1 448.858 5.111 50 30 biogenic IKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000001450581 568818077 /nfs/dbraw/zinc/81/80/77/568818077.db2.gz KKPOCSRADBIFPD-HXUWFJFHSA-N -1 1 430.485 5.235 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000001450581 568818079 /nfs/dbraw/zinc/81/80/79/568818079.db2.gz KKPOCSRADBIFPD-HXUWFJFHSA-N -1 1 430.485 5.235 50 30 IKEAMM CCc1ccc2oc(-c3cc(/N=C/C=C/c4ccc(Br)cc4)ccc3[O-])nc2c1 ZINC000016162184 568871935 /nfs/dbraw/zinc/87/19/35/568871935.db2.gz WYCAJGGUYHLPFJ-DWOGBDTMSA-N -1 1 447.332 6.941 50 30 IKEAMM COc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])cc1Cl ZINC000001947850 568923716 /nfs/dbraw/zinc/92/37/16/568923716.db2.gz GRIQPVYRLFLXAL-ZMOGYAJESA-N -1 1 430.729 6.158 50 30 IKEAMM CCOc1cc(-c2ccc(F)cc2)nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC000065114713 569106549 /nfs/dbraw/zinc/10/65/49/569106549.db2.gz DNCQJXBRGFJBCE-UHFFFAOYSA-N -1 1 447.491 5.112 50 30 IKEAMM CCc1ccc(-c2nc3cc(N=Cc4c([O-])ccc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1 ZINC000252625436 569203166 /nfs/dbraw/zinc/20/31/66/569203166.db2.gz QJTWQQJSAYULSE-UHFFFAOYSA-N -1 1 437.455 6.575 50 30 IKEAMM [O-]c1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCCCC1 ZINC000002245082 569213485 /nfs/dbraw/zinc/21/34/85/569213485.db2.gz UOADOWYMLNCDKJ-OVVQPSECSA-N -1 1 449.392 6.486 50 30 IKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000020134466 569335697 /nfs/dbraw/zinc/33/56/97/569335697.db2.gz YJBDEUABQBLSAD-LJQANCHMSA-N -1 1 437.609 5.487 50 30 IKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000020134470 569335725 /nfs/dbraw/zinc/33/57/25/569335725.db2.gz YJBDEUABQBLSAD-IBGZPJMESA-N -1 1 437.609 5.487 50 30 IKEAMM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc([O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000002602898 569410151 /nfs/dbraw/zinc/41/01/51/569410151.db2.gz RPJIHVNIMSZMPB-UHFFFAOYSA-N -1 1 427.972 5.751 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000003425960 569450557 /nfs/dbraw/zinc/45/05/57/569450557.db2.gz QZPOJIVWTYMZEB-IBGZPJMESA-N -1 1 443.446 5.858 50 30 IKEAMM Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008817686 569476936 /nfs/dbraw/zinc/47/69/36/569476936.db2.gz UGRMMBSACGWDRF-HXUWFJFHSA-N -1 1 446.553 5.758 50 30 IKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000008827761 569477675 /nfs/dbraw/zinc/47/76/75/569477675.db2.gz QSCBHLWORUNFBM-GOSISDBHSA-N -1 1 436.876 5.326 50 30 IKEAMM CCN(CC)c1ccc(/C=C/C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000008844388 569478604 /nfs/dbraw/zinc/47/86/04/569478604.db2.gz YIXGFPLBVOXWJR-VXLYETTFSA-N -1 1 448.588 5.538 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008915062 569485511 /nfs/dbraw/zinc/48/55/11/569485511.db2.gz DRUSWDWYHSPSDA-GOSISDBHSA-N -1 1 429.259 5.073 50 30 IKEAMM CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000008951397 569489866 /nfs/dbraw/zinc/48/98/66/569489866.db2.gz UNEWJJCUZQOVOH-FVOVHSBVSA-N -1 1 441.003 5.097 50 30 IKEAMM Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N([O-])C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008951462 569489870 /nfs/dbraw/zinc/48/98/70/569489870.db2.gz DCBHFERBBOPWPG-QQZPLFJDSA-N -1 1 449.001 5.344 50 30 IKEAMM Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008951461 569489889 /nfs/dbraw/zinc/48/98/89/569489889.db2.gz DCBHFERBBOPWPG-ORWNMUSCSA-N -1 1 449.001 5.344 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)cc1OC ZINC000009019003 569496864 /nfs/dbraw/zinc/49/68/64/569496864.db2.gz WLEOBYFYPYTMKM-JOCHJYFZSA-N -1 1 449.890 5.140 50 30 IKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1 ZINC000009046548 569498345 /nfs/dbraw/zinc/49/83/45/569498345.db2.gz MESAEETYMXDSTI-SFHVURJKSA-N -1 1 436.489 5.280 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)sc1C ZINC000009069331 569500003 /nfs/dbraw/zinc/50/00/03/569500003.db2.gz ZSMVMWZZOMPXAK-GOSISDBHSA-N -1 1 442.899 5.335 50 30 IKEAMM O=C1C(=O)N(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000009108765 569501889 /nfs/dbraw/zinc/50/18/89/569501889.db2.gz AVZZHJNMFUSRLU-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009108765 569501890 /nfs/dbraw/zinc/50/18/90/569501890.db2.gz AVZZHJNMFUSRLU-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009144940 569507415 /nfs/dbraw/zinc/50/74/15/569507415.db2.gz XNHVBEDLRGEMGZ-LJQANCHMSA-N -1 1 425.271 5.171 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000009240824 569514655 /nfs/dbraw/zinc/51/46/55/569514655.db2.gz RFTARDFVGPVSQP-HXUWFJFHSA-N -1 1 448.450 5.357 50 30 IKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009243280 569514889 /nfs/dbraw/zinc/51/48/89/569514889.db2.gz XKQKLJWHSKBKCX-QHCPKHFHSA-N -1 1 446.503 5.335 50 30 IKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009243280 569514890 /nfs/dbraw/zinc/51/48/90/569514890.db2.gz XKQKLJWHSKBKCX-QHCPKHFHSA-N -1 1 446.503 5.335 50 30 IKEAMM CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009270876 569517613 /nfs/dbraw/zinc/51/76/13/569517613.db2.gz YSLRDVYZMDKANX-QFIPXVFZSA-N -1 1 433.891 5.522 50 30 IKEAMM O=C1C(=O)N(c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000009272805 569518002 /nfs/dbraw/zinc/51/80/02/569518002.db2.gz BGNSDCKQVAQFLK-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000009272805 569518003 /nfs/dbraw/zinc/51/80/03/569518003.db2.gz BGNSDCKQVAQFLK-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000009272627 569518016 /nfs/dbraw/zinc/51/80/16/569518016.db2.gz QOSSRUJFXGWGNB-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009273019 569518063 /nfs/dbraw/zinc/51/80/63/569518063.db2.gz ZMVXXGLRNXCNKH-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009273019 569518064 /nfs/dbraw/zinc/51/80/64/569518064.db2.gz ZMVXXGLRNXCNKH-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C ZINC000009274634 569518242 /nfs/dbraw/zinc/51/82/42/569518242.db2.gz TUOYNQGJFHENKH-IBGZPJMESA-N -1 1 438.574 5.728 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009301907 569520796 /nfs/dbraw/zinc/52/07/96/569520796.db2.gz JSDYBNDVMQTLCO-NRFANRHFSA-N -1 1 444.487 5.527 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009331650 569523052 /nfs/dbraw/zinc/52/30/52/569523052.db2.gz MYLZHQLBGNDDDQ-HXUWFJFHSA-N -1 1 441.380 5.627 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C)cc2)o1 ZINC000009334182 569523197 /nfs/dbraw/zinc/52/31/97/569523197.db2.gz RQOJFBYTQYKVCY-HXUWFJFHSA-N -1 1 448.475 5.428 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009359441 569525698 /nfs/dbraw/zinc/52/56/98/569525698.db2.gz FKBCHNZOOUEIAJ-NRFANRHFSA-N -1 1 438.310 6.085 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009359441 569525699 /nfs/dbraw/zinc/52/56/99/569525699.db2.gz FKBCHNZOOUEIAJ-NRFANRHFSA-N -1 1 438.310 6.085 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009370879 569526884 /nfs/dbraw/zinc/52/68/84/569526884.db2.gz QHLYBKWHGDWSFG-OAQYLSRUSA-N -1 1 438.310 6.085 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009370879 569526885 /nfs/dbraw/zinc/52/68/85/569526885.db2.gz QHLYBKWHGDWSFG-OAQYLSRUSA-N -1 1 438.310 6.085 50 30 IKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000009374028 569527088 /nfs/dbraw/zinc/52/70/88/569527088.db2.gz OHYCVEFUXLAKRX-OAQYLSRUSA-N -1 1 437.854 5.271 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009380311 569527872 /nfs/dbraw/zinc/52/78/72/569527872.db2.gz GKRCOIVEKBWVGT-OAQYLSRUSA-N -1 1 448.316 5.540 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009380312 569527934 /nfs/dbraw/zinc/52/79/34/569527934.db2.gz GKRCOIVEKBWVGT-NRFANRHFSA-N -1 1 448.316 5.540 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000009454081 569536629 /nfs/dbraw/zinc/53/66/29/569536629.db2.gz ZNHQUHCKIGMDLT-QHCPKHFHSA-N -1 1 446.503 5.117 50 30 IKEAMM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)c1O ZINC000009660243 569556755 /nfs/dbraw/zinc/55/67/55/569556755.db2.gz RTPOXGDNAOTOOA-BRJLIKDPSA-N -1 1 447.447 5.580 50 30 IKEAMM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)c1O ZINC000009679141 569559734 /nfs/dbraw/zinc/55/97/34/569559734.db2.gz CMOIZDCWKXZRLI-BHGWPJFGSA-N -1 1 433.420 5.190 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009763869 569566741 /nfs/dbraw/zinc/56/67/41/569566741.db2.gz WHWOLKDIYFNIDC-QGZVFWFLSA-N -1 1 445.327 5.541 50 30 IKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000013570405 519048353 /nfs/dbraw/zinc/04/83/53/519048353.db2.gz WFQNFNYXSFIFKB-JOCHJYFZSA-N -1 1 446.934 5.815 50 30 IKEAMM CN(Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020625310 523344008 /nfs/dbraw/zinc/34/40/08/523344008.db2.gz KLJAKCYBBICKAM-JJFYIABZSA-N -1 1 440.326 5.947 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3cccc(Cl)c3Cl)cc2)cc1 ZINC000012537691 525596521 /nfs/dbraw/zinc/59/65/21/525596521.db2.gz XGPQJRSUMVBXTJ-NTEUORMPSA-N -1 1 446.355 5.999 50 30 IKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000015980615 525597954 /nfs/dbraw/zinc/59/79/54/525597954.db2.gz UPOMMTKKTGMQLV-GIJQJNRQSA-N -1 1 433.573 5.989 50 30 IKEAMM Cc1ccnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(Cl)cc2)c1 ZINC000012634226 525664359 /nfs/dbraw/zinc/66/43/59/525664359.db2.gz ZIVANBKPGUYQHS-HXUWFJFHSA-N -1 1 439.298 5.480 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000009184949 526270968 /nfs/dbraw/zinc/27/09/68/526270968.db2.gz FVKHOZHJJZLNMD-HXUWFJFHSA-N -1 1 434.289 5.232 50 30 IKEAMM COc1ccc(-c2oc(/N=C/c3ccc(O)cc3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000000805321 555560037 /nfs/dbraw/zinc/56/00/37/555560037.db2.gz ZWONKGKGRLMVDS-RWPZCVJISA-N -1 1 440.455 5.664 50 30 IKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nccs2)c1 ZINC000008384349 556160012 /nfs/dbraw/zinc/16/00/12/556160012.db2.gz WSCAKRWHDMLFCI-IBGZPJMESA-N -1 1 438.505 5.006 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 ZINC000008740839 556206663 /nfs/dbraw/zinc/20/66/63/556206663.db2.gz KESLFXKGVCKTDC-SFHVURJKSA-N -1 1 436.514 5.296 50 30 aggregator IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccs3)sc2c1 ZINC000008743730 556208171 /nfs/dbraw/zinc/20/81/71/556208171.db2.gz LDHOXZFJHVNDOU-HXUWFJFHSA-N -1 1 446.553 5.703 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000008817352 556218004 /nfs/dbraw/zinc/21/80/04/556218004.db2.gz OFUDCQMFADEAGB-INIZCTEOSA-N -1 1 431.300 5.233 50 30 IKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000008913920 556231632 /nfs/dbraw/zinc/23/16/32/556231632.db2.gz PXAXTOAIXMWOIW-LJQANCHMSA-N -1 1 438.936 5.703 50 30 IKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000008913920 556231634 /nfs/dbraw/zinc/23/16/34/556231634.db2.gz PXAXTOAIXMWOIW-LJQANCHMSA-N -1 1 438.936 5.703 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000009007666 556239963 /nfs/dbraw/zinc/23/99/63/556239963.db2.gz PCRKUKVZFKDURX-HXUWFJFHSA-N -1 1 434.289 5.232 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000009089009 556245778 /nfs/dbraw/zinc/24/57/78/556245778.db2.gz PTGBUASYOOSAHH-JOCHJYFZSA-N -1 1 449.890 5.140 50 30 IKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009110963 556247765 /nfs/dbraw/zinc/24/77/65/556247765.db2.gz RRJSWOPLLUZWEN-NRFANRHFSA-N -1 1 437.854 5.271 50 30 IKEAMM O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccccc1 ZINC000009331518 556282738 /nfs/dbraw/zinc/28/27/38/556282738.db2.gz NVADBJPISFMYEC-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009331518 556282740 /nfs/dbraw/zinc/28/27/40/556282740.db2.gz NVADBJPISFMYEC-HXUWFJFHSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000009363624 556285699 /nfs/dbraw/zinc/28/56/99/556285699.db2.gz SVVJYRCQROMLLJ-HXUWFJFHSA-N -1 1 434.289 5.232 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009763880 556308592 /nfs/dbraw/zinc/30/85/92/556308592.db2.gz DYCLQCJUNQRXSY-IBGZPJMESA-N -1 1 425.271 5.171 50 30 IKEAMM Cc1ccc2oc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4[O-])c3)nc2c1 ZINC000003087356 556519680 /nfs/dbraw/zinc/51/96/80/556519680.db2.gz KWGMAMGXLJLIDC-BRJLIKDPSA-N -1 1 435.321 6.639 50 30 IKEAMM O=C(C=CNc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000015836417 556555602 /nfs/dbraw/zinc/55/56/02/556555602.db2.gz OXDWGZIBHOXAEB-SEYXRHQNSA-N -1 1 447.343 5.603 50 30 IKEAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016807390 556644433 /nfs/dbraw/zinc/64/44/33/556644433.db2.gz QTVGNHNGDIGMKF-LJQANCHMSA-N -1 1 437.609 5.596 50 30 IKEAMM CC(C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000016807383 556644510 /nfs/dbraw/zinc/64/45/10/556644510.db2.gz VAEOSPLUXZLREG-MRXNPFEDSA-N -1 1 429.973 5.124 50 30 IKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041237 556653945 /nfs/dbraw/zinc/65/39/45/556653945.db2.gz HAQHFPKDKNJNHC-HXUWFJFHSA-N -1 1 447.535 5.487 50 30 IKEAMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000013880907 556748486 /nfs/dbraw/zinc/74/84/86/556748486.db2.gz YFYLWYGYFQGQBR-UUYOSTAYSA-N -1 1 445.569 5.034 50 30 IKEAMM COc1cc(OC)cc(/C([O-])=N/c2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000020228106 557001072 /nfs/dbraw/zinc/00/10/72/557001072.db2.gz HAYUNQMYPKIQBG-UHFFFAOYSA-N -1 1 430.460 5.059 50 30 IKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000004793368 557125552 /nfs/dbraw/zinc/12/55/52/557125552.db2.gz IJYDOFLNIGXWJM-NRFANRHFSA-N -1 1 443.572 5.656 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069915 557223650 /nfs/dbraw/zinc/22/36/50/557223650.db2.gz XPVJOZGNWYXKME-JBCNATCCSA-N -1 1 448.316 5.384 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 ZINC000018140180 557242553 /nfs/dbraw/zinc/24/25/53/557242553.db2.gz XAEITZFOJLNUGH-LJQANCHMSA-N -1 1 447.903 5.128 50 30 IKEAMM O=[N+]([O-])c1ccc2c(ccc([O-])c2/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000100502405 557262778 /nfs/dbraw/zinc/26/27/78/557262778.db2.gz YLAYICMIVDQPCF-AFUMVMLFSA-N -1 1 425.469 6.481 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000102498608 557336592 /nfs/dbraw/zinc/33/65/92/557336592.db2.gz LLWBFZLYYIWVKT-ASBZNUFUSA-N -1 1 446.553 5.601 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102535852 557345209 /nfs/dbraw/zinc/34/52/09/557345209.db2.gz LHBNCNIDBBNVIY-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102535852 557345212 /nfs/dbraw/zinc/34/52/12/557345212.db2.gz LHBNCNIDBBNVIY-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc2sc(-c3ccc(/N=C/c4cc(C)cc(Br)c4[O-])cc3)nc2c1 ZINC000003113030 557347119 /nfs/dbraw/zinc/34/71/19/557347119.db2.gz UVKBLMZBHLJRFO-WYMPLXKRSA-N -1 1 437.362 6.799 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000102542088 557348452 /nfs/dbraw/zinc/34/84/52/557348452.db2.gz PSLUQRXRSBXHTG-JBCNATCCSA-N -1 1 444.487 5.370 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102588779 557356362 /nfs/dbraw/zinc/35/63/62/557356362.db2.gz SIZHNAVGSGBRMV-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102588779 557356366 /nfs/dbraw/zinc/35/63/66/557356366.db2.gz SIZHNAVGSGBRMV-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000102624458 557359928 /nfs/dbraw/zinc/35/99/28/557359928.db2.gz BYABYNRGWUNXIM-HOGKFDNTSA-N -1 1 431.875 5.169 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102609744 557360674 /nfs/dbraw/zinc/36/06/74/557360674.db2.gz CKNKAYBXZNYPSZ-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102609744 557360678 /nfs/dbraw/zinc/36/06/78/557360678.db2.gz CKNKAYBXZNYPSZ-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 ZINC000102721274 557368859 /nfs/dbraw/zinc/36/88/59/557368859.db2.gz DRSYIQCDSLXEDX-MRJHHRETSA-N -1 1 444.512 5.386 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccs3)sc2c1 ZINC000102804446 557386338 /nfs/dbraw/zinc/38/63/38/557386338.db2.gz AJLACHGHSQMVBT-YDJIHCHBSA-N -1 1 446.553 5.547 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102804588 557386490 /nfs/dbraw/zinc/38/64/90/557386490.db2.gz FLFRERCQPCCDRT-MRJHHRETSA-N -1 1 444.512 5.386 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1 ZINC000102805145 557386859 /nfs/dbraw/zinc/38/68/59/557386859.db2.gz HGMBSJAACADSDG-YDJIHCHBSA-N -1 1 430.485 5.078 50 30 IKEAMM CCOc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1 ZINC000100242772 557389336 /nfs/dbraw/zinc/38/93/36/557389336.db2.gz OGGDUGLWAWCOEE-AFUMVMLFSA-N -1 1 444.756 6.548 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102799492 557389747 /nfs/dbraw/zinc/38/97/47/557389747.db2.gz OHNABPLQJBPFML-MRJHHRETSA-N -1 1 448.544 5.292 50 30 IKEAMM 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Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000102928312 557410491 /nfs/dbraw/zinc/41/04/91/557410491.db2.gz AIPXHOOUQFXYBZ-WOOAAIBNSA-N -1 1 438.936 5.348 50 30 IKEAMM COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000104101305 557450330 /nfs/dbraw/zinc/45/03/30/557450330.db2.gz RMIMPNSDTLFUQX-MRJHHRETSA-N -1 1 437.854 5.114 50 30 IKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000104101305 557450332 /nfs/dbraw/zinc/45/03/32/557450332.db2.gz RMIMPNSDTLFUQX-MRJHHRETSA-N -1 1 437.854 5.114 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104240400 557453321 /nfs/dbraw/zinc/45/33/21/557453321.db2.gz IRDOUFISEIOTJK-WOOAAIBNSA-N -1 1 425.271 5.015 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104240395 557453412 /nfs/dbraw/zinc/45/34/12/557453412.db2.gz IRDOUFISEIOTJK-LFVOPCPISA-N -1 1 425.271 5.015 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 ZINC000008827767 562964502 /nfs/dbraw/zinc/96/45/02/562964502.db2.gz CKBMRUVXIVHHLM-HXUWFJFHSA-N -1 1 434.835 5.166 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000009007936 562966566 /nfs/dbraw/zinc/96/65/66/562966566.db2.gz FZEOTGVBCDNKDA-HXUWFJFHSA-N -1 1 430.485 5.289 50 30 IKEAMM C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3cccs3)c3cc(Cl)c([O-])cc3O2)N1 ZINC000003627461 568751826 /nfs/dbraw/zinc/75/18/26/568751826.db2.gz KXNMAIAKSBGCKU-QKKBWIMNSA-N -1 1 435.014 5.765 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000001455683 568819168 /nfs/dbraw/zinc/81/91/68/568819168.db2.gz FEHGALZIAVUEEC-OAQYLSRUSA-N -1 1 444.512 5.543 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000001455682 568819218 /nfs/dbraw/zinc/81/92/18/568819218.db2.gz FEHGALZIAVUEEC-NRFANRHFSA-N -1 1 444.512 5.543 50 30 IKEAMM C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1SC(=S)[N-]C1=O ZINC000013942405 568824741 /nfs/dbraw/zinc/82/47/41/568824741.db2.gz FUCVNNBMKSFKFK-CPNJWEJPSA-N -1 1 442.518 5.110 50 30 IKEAMM CCc1ccc2oc(-c3cc(/N=C\c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3O)nc2c1 ZINC000016162197 568872104 /nfs/dbraw/zinc/87/21/04/568872104.db2.gz KLLOLVLNKIRTGJ-MYKKPKGFSA-N -1 1 437.839 5.781 50 30 IKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1ccc(F)cc1 ZINC000006283042 568881856 /nfs/dbraw/zinc/88/18/56/568881856.db2.gz VFYROTRSQQWLQJ-OAQYLSRUSA-N -1 1 437.854 5.271 50 30 IKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000027024029 568939275 /nfs/dbraw/zinc/93/92/75/568939275.db2.gz AEANKSPMVRBIJY-NRFANRHFSA-N -1 1 447.512 5.016 50 30 IKEAMM Cc1sc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)c(C#N)c1-c1ccc(F)cc1 ZINC000002115604 569181986 /nfs/dbraw/zinc/18/19/86/569181986.db2.gz CTPVCYNYAQQFDL-UHFFFAOYSA-N -1 1 426.341 5.682 50 30 IKEAMM [O-]c1cc(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1-c1nc2ccccc2o1 ZINC000252627419 569203509 /nfs/dbraw/zinc/20/35/09/569203509.db2.gz RTQQEIPIDOGWMS-UHFFFAOYSA-N -1 1 449.293 7.518 50 30 IKEAMM [O-]c1cc(N=C/C=C\c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 ZINC000252633126 569205586 /nfs/dbraw/zinc/20/55/86/569205586.db2.gz VZVIXTXZGMNUNK-OHKTVLNTSA-N -1 1 425.340 7.391 50 30 IKEAMM CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1 ZINC000027497201 569215814 /nfs/dbraw/zinc/21/58/14/569215814.db2.gz GQEJWEPVGQONAL-DNTJNYDQSA-N -1 1 427.682 5.470 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000008741057 569472969 /nfs/dbraw/zinc/47/29/69/569472969.db2.gz WJEPMNBLTRWJAB-OAQYLSRUSA-N -1 1 444.512 5.543 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000008741057 569472970 /nfs/dbraw/zinc/47/29/70/569472970.db2.gz WJEPMNBLTRWJAB-OAQYLSRUSA-N -1 1 444.512 5.543 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000008743984 569473029 /nfs/dbraw/zinc/47/30/29/569473029.db2.gz SJAHVJFTNQWEOL-SFHVURJKSA-N -1 1 429.259 5.073 50 30 IKEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000008744027 569473034 /nfs/dbraw/zinc/47/30/34/569473034.db2.gz LOTPWLREWPFQNY-NRFANRHFSA-N -1 1 436.895 5.543 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000008744027 569473035 /nfs/dbraw/zinc/47/30/35/569473035.db2.gz LOTPWLREWPFQNY-NRFANRHFSA-N -1 1 436.895 5.543 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008818140 569476910 /nfs/dbraw/zinc/47/69/10/569476910.db2.gz BDFYXGMBRLNPGT-NRFANRHFSA-N -1 1 444.512 5.597 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008818183 569476919 /nfs/dbraw/zinc/47/69/19/569476919.db2.gz UGRMMBSACGWDRF-FQEVSTJZSA-N -1 1 446.553 5.758 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000008827770 569477672 /nfs/dbraw/zinc/47/76/72/569477672.db2.gz QNGNYPBBHGLZCA-QHCPKHFHSA-N -1 1 442.471 5.636 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008827769 569477693 /nfs/dbraw/zinc/47/76/93/569477693.db2.gz QNGNYPBBHGLZCA-HSZRJFAPSA-N -1 1 442.471 5.636 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000008838239 569478229 /nfs/dbraw/zinc/47/82/29/569478229.db2.gz AADBBVACNBZLQY-HXUWFJFHSA-N -1 1 446.553 5.758 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000008837563 569478261 /nfs/dbraw/zinc/47/82/61/569478261.db2.gz VXBSRSYNUKZIOX-HXUWFJFHSA-N -1 1 448.475 5.428 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000008838240 569478329 /nfs/dbraw/zinc/47/83/29/569478329.db2.gz AADBBVACNBZLQY-FQEVSTJZSA-N -1 1 446.553 5.758 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000008854690 569479604 /nfs/dbraw/zinc/47/96/04/569479604.db2.gz WJQZBUOPUBDDJG-NRFANRHFSA-N -1 1 437.417 5.797 50 30 IKEAMM COc1ccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000008856875 569479812 /nfs/dbraw/zinc/47/98/12/569479812.db2.gz FQKVTLUOWPIQIL-BOHSUASASA-N -1 1 430.895 5.551 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 ZINC000009041808 569497577 /nfs/dbraw/zinc/49/75/77/569497577.db2.gz JSFKICSOFRAUDZ-LJQANCHMSA-N -1 1 432.526 5.449 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000009046298 569498361 /nfs/dbraw/zinc/49/83/61/569498361.db2.gz QQLVHETVPXWTBX-NRFANRHFSA-N -1 1 444.487 5.527 50 30 IKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009065344 569499653 /nfs/dbraw/zinc/49/96/53/569499653.db2.gz DZXMMRFUGSBWQO-JOCHJYFZSA-N -1 1 448.906 5.305 50 30 IKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000009087292 569500861 /nfs/dbraw/zinc/50/08/61/569500861.db2.gz RIZHIWRNUHMCIA-HSZRJFAPSA-N -1 1 447.918 5.830 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)sc1C ZINC000009123674 569504206 /nfs/dbraw/zinc/50/42/06/569504206.db2.gz IPXNMDZBBAOBAZ-IBGZPJMESA-N -1 1 438.936 5.505 50 30 IKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009239784 569514613 /nfs/dbraw/zinc/51/46/13/569514613.db2.gz DZXMMRFUGSBWQO-QFIPXVFZSA-N -1 1 448.906 5.305 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009301908 569520778 /nfs/dbraw/zinc/52/07/78/569520778.db2.gz JSDYBNDVMQTLCO-OAQYLSRUSA-N -1 1 444.487 5.527 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccco3)sc2c1 ZINC000009354341 569525039 /nfs/dbraw/zinc/52/50/39/569525039.db2.gz DSGFOHUFBCJRFX-HXUWFJFHSA-N -1 1 448.475 5.374 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009370576 569526768 /nfs/dbraw/zinc/52/67/68/569526768.db2.gz UDEBWDUBFAUXAA-NRFANRHFSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009370576 569526769 /nfs/dbraw/zinc/52/67/69/569526769.db2.gz UDEBWDUBFAUXAA-NRFANRHFSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009370574 569526805 /nfs/dbraw/zinc/52/68/05/569526805.db2.gz UDEBWDUBFAUXAA-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009370574 569526806 /nfs/dbraw/zinc/52/68/06/569526806.db2.gz UDEBWDUBFAUXAA-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)ccc1O ZINC000009374635 569527073 /nfs/dbraw/zinc/52/70/73/569527073.db2.gz QAUAXJHIFMEREE-JOCHJYFZSA-N -1 1 449.890 5.146 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CCCCCCCOP(=O)(N=S(=O)([O-])c1ccccc1)OCCCCCCC ZINC000409415935 569588107 /nfs/dbraw/zinc/58/81/07/569588107.db2.gz CMHSYPZOTJOBLQ-UHFFFAOYSA-N -1 1 433.551 6.288 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000102502396 518202370 /nfs/dbraw/zinc/20/23/70/518202370.db2.gz ROMUWBVABRQNOU-NHFXJNLRSA-N -1 1 442.273 5.759 50 30 IKEAMM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000022135312 519001667 /nfs/dbraw/zinc/00/16/67/519001667.db2.gz PIXIVVCSXXSSGG-HXUWFJFHSA-N -1 1 436.895 5.408 50 30 IKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000022135312 519001676 /nfs/dbraw/zinc/00/16/76/519001676.db2.gz PIXIVVCSXXSSGG-HXUWFJFHSA-N -1 1 436.895 5.408 50 30 IKEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000016361192 519679505 /nfs/dbraw/zinc/67/95/05/519679505.db2.gz PJJAFTPIZNPITC-QGZVFWFLSA-N -1 1 429.973 5.126 50 30 IKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1cccs1 ZINC000009597331 520258623 /nfs/dbraw/zinc/25/86/23/520258623.db2.gz HMCRSQOPSUURSL-LJQANCHMSA-N -1 1 449.601 5.324 50 30 IKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1C ZINC000013122085 520330745 /nfs/dbraw/zinc/33/07/45/520330745.db2.gz WUFDHUTXBVGMFP-QHCPKHFHSA-N -1 1 446.478 5.101 50 30 IKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1C ZINC000013122085 520330751 /nfs/dbraw/zinc/33/07/51/520330751.db2.gz WUFDHUTXBVGMFP-QHCPKHFHSA-N -1 1 446.478 5.101 50 30 IKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000012486226 520882177 /nfs/dbraw/zinc/88/21/77/520882177.db2.gz ANMSONZOHGCQJK-QFIPXVFZSA-N -1 1 448.906 5.225 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000012486226 520882186 /nfs/dbraw/zinc/88/21/86/520882186.db2.gz ANMSONZOHGCQJK-QFIPXVFZSA-N -1 1 448.906 5.225 50 30 IKEAMM 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Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000001428428 555696133 /nfs/dbraw/zinc/69/61/33/555696133.db2.gz OQKTUFQUZMLROU-LJQANCHMSA-N -1 1 431.344 5.758 50 30 IKEAMM Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000001428427 555696279 /nfs/dbraw/zinc/69/62/79/555696279.db2.gz OQKTUFQUZMLROU-IBGZPJMESA-N -1 1 431.344 5.758 50 30 IKEAMM Cc1ccccc1N1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001445386 555698747 /nfs/dbraw/zinc/69/87/47/555698747.db2.gz QDJOTKIJRDKOTD-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccccc1N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001445386 555698750 /nfs/dbraw/zinc/69/87/50/555698750.db2.gz QDJOTKIJRDKOTD-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM [O-]c1cc(/N=C/C=C/c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 ZINC000002052785 555729495 /nfs/dbraw/zinc/72/94/95/555729495.db2.gz VZVIXTXZGMNUNK-UMKNWRDPSA-N -1 1 425.340 7.391 50 30 IKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nccs2)c1 ZINC000008384348 556160029 /nfs/dbraw/zinc/16/00/29/556160029.db2.gz WSCAKRWHDMLFCI-LJQANCHMSA-N -1 1 438.505 5.006 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000008440205 556176175 /nfs/dbraw/zinc/17/61/75/556176175.db2.gz WTPSFZPLVCHCAL-OAQYLSRUSA-N -1 1 447.560 5.370 50 30 IKEAMM Cc1ccc([C@H]2C(=C([O-])c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000008739880 556205914 /nfs/dbraw/zinc/20/59/14/556205914.db2.gz YLLYBCVDOLFYLA-FQEVSTJZSA-N -1 1 434.517 5.022 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000008739880 556205917 /nfs/dbraw/zinc/20/59/17/556205917.db2.gz YLLYBCVDOLFYLA-FQEVSTJZSA-N -1 1 434.517 5.022 50 30 IKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008743986 556208472 /nfs/dbraw/zinc/20/84/72/556208472.db2.gz ALZYLWKJWLFBPC-QFIPXVFZSA-N -1 1 446.503 5.072 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000008837428 556226122 /nfs/dbraw/zinc/22/61/22/556226122.db2.gz BXFAFNUBDSUWKZ-RUZDIDTESA-N -1 1 448.478 5.657 50 30 IKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008996291 556239991 /nfs/dbraw/zinc/23/99/91/556239991.db2.gz GFZGGNOCYASFLQ-JOCHJYFZSA-N -1 1 448.906 5.305 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009046271 556242840 /nfs/dbraw/zinc/24/28/40/556242840.db2.gz VXDXCRGRXUBKCO-HXUWFJFHSA-N -1 1 448.450 5.357 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1OC ZINC000009087752 556245495 /nfs/dbraw/zinc/24/54/95/556245495.db2.gz QFAIFCOJESFSFW-JOCHJYFZSA-N -1 1 449.890 5.140 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000009108825 556247068 /nfs/dbraw/zinc/24/70/68/556247068.db2.gz WPOXPGJSMHNBDH-HXUWFJFHSA-N -1 1 441.380 5.627 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009110022 556247473 /nfs/dbraw/zinc/24/74/73/556247473.db2.gz KDWXDVAGMJZEAF-OAQYLSRUSA-N -1 1 448.316 5.540 50 30 IKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009240500 556266397 /nfs/dbraw/zinc/26/63/97/556266397.db2.gz SLTINVFCIDBTMO-QFIPXVFZSA-N -1 1 446.890 5.083 50 30 IKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009240500 556266399 /nfs/dbraw/zinc/26/63/99/556266399.db2.gz SLTINVFCIDBTMO-QFIPXVFZSA-N -1 1 446.890 5.083 50 30 IKEAMM CCOc1cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc(Br)c1[O-] ZINC000009261627 556269303 /nfs/dbraw/zinc/26/93/03/556269303.db2.gz RVHQNEPKYOKCAR-ZVHZXABRSA-N -1 1 442.309 6.105 50 30 IKEAMM CCOc1cc(/C=N/c2ccc(Oc3cccc(OC)c3)nc2)cc(Br)c1[O-] ZINC000009265344 556270661 /nfs/dbraw/zinc/27/06/61/556270661.db2.gz JDURTNPJEIHQEB-FSJBWODESA-N -1 1 443.297 5.500 50 30 IKEAMM O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccccc1 ZINC000009331516 556282687 /nfs/dbraw/zinc/28/26/87/556282687.db2.gz NVADBJPISFMYEC-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009331516 556282688 /nfs/dbraw/zinc/28/26/88/556282688.db2.gz NVADBJPISFMYEC-FQEVSTJZSA-N -1 1 434.835 5.031 50 30 IKEAMM CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2ccccc2)cc1 ZINC000013756999 556300797 /nfs/dbraw/zinc/30/07/97/556300797.db2.gz OVIZWAHKNZVBBT-VYVDHXHBSA-N -1 1 446.623 5.104 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000009993315 556320217 /nfs/dbraw/zinc/32/02/17/556320217.db2.gz BUVYCAUITHXWQB-HXUWFJFHSA-N -1 1 430.460 5.218 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009993296 556320248 /nfs/dbraw/zinc/32/02/48/556320248.db2.gz CZOXHFHTSMQAGM-OAQYLSRUSA-N -1 1 442.496 5.088 50 30 IKEAMM Cc1cc2nc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4[O-])c3)oc2cc1C ZINC000003092450 556519968 /nfs/dbraw/zinc/51/99/68/556519968.db2.gz NSPQJTVQBFTWKQ-RPPGKUMJSA-N -1 1 449.348 6.947 50 30 IKEAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000016346453 556601416 /nfs/dbraw/zinc/60/14/16/556601416.db2.gz RJDAKOJTSQFYTN-AWEZNQCLSA-N -1 1 436.364 5.143 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)cc1 ZINC000016741314 556635041 /nfs/dbraw/zinc/63/50/41/556635041.db2.gz NOJQMHIZVDVQQG-OAQYLSRUSA-N -1 1 441.512 5.091 50 30 IKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016953600 556650141 /nfs/dbraw/zinc/65/01/41/556650141.db2.gz IXJRHWWCUQQFOC-HXUWFJFHSA-N -1 1 445.544 5.048 50 30 IKEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017113156 556668064 /nfs/dbraw/zinc/66/80/64/556668064.db2.gz MGQLKWGCENGDDV-QGZVFWFLSA-N -1 1 429.611 5.170 50 30 IKEAMM O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017178665 556671786 /nfs/dbraw/zinc/67/17/86/556671786.db2.gz FNEAMGRDWADKJD-LJQANCHMSA-N -1 1 433.508 5.178 50 30 IKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1ccccc1 ZINC000017242390 556674269 /nfs/dbraw/zinc/67/42/69/556674269.db2.gz APLKEYLPLCHNJF-HXUWFJFHSA-N -1 1 443.572 5.675 50 30 IKEAMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000033169058 556881434 /nfs/dbraw/zinc/88/14/34/556881434.db2.gz AJPPYFKUUMRELZ-UHFFFAOYSA-N -1 1 425.922 5.289 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000000707463 557140703 /nfs/dbraw/zinc/14/07/03/557140703.db2.gz SXORILIGIJBYLH-FQEVSTJZSA-N -1 1 441.380 5.627 50 30 IKEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102368969 557318295 /nfs/dbraw/zinc/31/82/95/557318295.db2.gz UJHPSZJFOCZCPG-HOGKFDNTSA-N -1 1 448.906 5.149 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000102502388 557339063 /nfs/dbraw/zinc/33/90/63/557339063.db2.gz ROMUWBVABRQNOU-YDJIHCHBSA-N -1 1 442.273 5.759 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102506629 557339941 /nfs/dbraw/zinc/33/99/41/557339941.db2.gz ZAYNSVPITQDRCW-YDJIHCHBSA-N -1 1 448.450 5.201 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)sc1C ZINC000102514789 557350721 /nfs/dbraw/zinc/35/07/21/557350721.db2.gz KHMLZOLRNZHSSP-GHNGSUTGSA-N -1 1 442.899 5.179 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)sc1C ZINC000102514781 557350786 /nfs/dbraw/zinc/35/07/86/557350786.db2.gz KHMLZOLRNZHSSP-SELCWUDQSA-N -1 1 442.899 5.179 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 ZINC000102527632 557353782 /nfs/dbraw/zinc/35/37/82/557353782.db2.gz YLYSEOKMGHQHQR-LFVOPCPISA-N -1 1 432.526 5.293 50 30 IKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1 ZINC000102575427 557354788 /nfs/dbraw/zinc/35/47/88/557354788.db2.gz YJEAIVDFNQKTTI-MOBKVPTQSA-N -1 1 433.891 5.365 50 30 IKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1 ZINC000102575421 557354794 /nfs/dbraw/zinc/35/47/94/557354794.db2.gz YJEAIVDFNQKTTI-HOGKFDNTSA-N -1 1 433.891 5.365 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102588785 557356333 /nfs/dbraw/zinc/35/63/33/557356333.db2.gz SIZHNAVGSGBRMV-MRJHHRETSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102588785 557356336 /nfs/dbraw/zinc/35/63/36/557356336.db2.gz SIZHNAVGSGBRMV-MRJHHRETSA-N -1 1 448.862 5.183 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102619223 557359635 /nfs/dbraw/zinc/35/96/35/557359635.db2.gz JZXZXNHFOCTHJU-NHFXJNLRSA-N -1 1 441.380 5.471 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000102693934 557364571 /nfs/dbraw/zinc/36/45/71/557364571.db2.gz FBLPMMQKFOSGMI-NHFXJNLRSA-N -1 1 448.500 5.288 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000102728712 557370515 /nfs/dbraw/zinc/37/05/15/557370515.db2.gz YQYVRQNEOWQWCO-AYWGPLOBSA-N -1 1 442.471 5.479 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000102733496 557372000 /nfs/dbraw/zinc/37/20/00/557372000.db2.gz VMMJRYHVAXCGIV-MRJHHRETSA-N -1 1 444.512 5.386 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102714329 557374454 /nfs/dbraw/zinc/37/44/54/557374454.db2.gz FFAXGXFFLXBTER-MRJHHRETSA-N -1 1 434.467 5.046 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102799496 557389898 /nfs/dbraw/zinc/38/98/98/557389898.db2.gz OHNABPLQJBPFML-JBCNATCCSA-N -1 1 448.544 5.292 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)sc1C ZINC000102800345 557390087 /nfs/dbraw/zinc/39/00/87/557390087.db2.gz RQNQQYQBGQKQKM-UYTDBDHRSA-N -1 1 430.938 5.101 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 ZINC000102800573 557390651 /nfs/dbraw/zinc/39/06/51/557390651.db2.gz XZQOAGHGJHTIHM-YDJIHCHBSA-N -1 1 448.475 5.217 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000102873916 557396247 /nfs/dbraw/zinc/39/62/47/557396247.db2.gz DDQXZYQKEWLMJM-JBCNATCCSA-N -1 1 444.487 5.370 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102859685 557399815 /nfs/dbraw/zinc/39/98/15/557399815.db2.gz UWMZZDQZVQILKT-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102859685 557399819 /nfs/dbraw/zinc/39/98/19/557399819.db2.gz UWMZZDQZVQILKT-JBCNATCCSA-N -1 1 448.862 5.183 50 30 IKEAMM CCCCCCCCCCn1c([O-])c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 ZINC000102863877 557403698 /nfs/dbraw/zinc/40/36/98/557403698.db2.gz KSBIBCYANVDUJI-UHFFFAOYSA-N -1 1 438.543 6.239 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102865455 557404269 /nfs/dbraw/zinc/40/42/69/557404269.db2.gz OQGFORKXTOCTTI-MRJHHRETSA-N -1 1 444.487 5.370 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000102866508 557404348 /nfs/dbraw/zinc/40/43/48/557404348.db2.gz SBBXHXHFEBWASW-YDJIHCHBSA-N -1 1 430.460 5.062 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102925308 557409756 /nfs/dbraw/zinc/40/97/56/557409756.db2.gz YZYOGDQIWSWHSP-JBCNATCCSA-N -1 1 448.544 5.093 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl ZINC000102930994 557412592 /nfs/dbraw/zinc/41/25/92/557412592.db2.gz HJHGJWDSOMTVAL-MRJHHRETSA-N -1 1 438.310 5.928 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl ZINC000102930994 557412596 /nfs/dbraw/zinc/41/25/96/557412596.db2.gz HJHGJWDSOMTVAL-MRJHHRETSA-N -1 1 438.310 5.928 50 30 IKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000102932773 557413083 /nfs/dbraw/zinc/41/30/83/557413083.db2.gz RLERMIWFBYDRCK-ASBZNUFUSA-N -1 1 430.485 5.132 50 30 IKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1ccc(F)cc1 ZINC000104134867 557451124 /nfs/dbraw/zinc/45/11/24/557451124.db2.gz HIBCPDDLSNBMJZ-JBCNATCCSA-N -1 1 437.854 5.114 50 30 IKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000009349817 562969447 /nfs/dbraw/zinc/96/94/47/562969447.db2.gz VXQIAZGZAQAYKQ-QFIPXVFZSA-N -1 1 442.427 5.151 50 30 IKEAMM C=CCc1c(C)nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)[n-]c1=O ZINC000003856138 568803616 /nfs/dbraw/zinc/80/36/16/568803616.db2.gz HPTNAWQFGGONEB-UHFFFAOYSA-N -1 1 435.936 5.532 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 ZINC000001450644 568818008 /nfs/dbraw/zinc/81/80/08/568818008.db2.gz SQFGOWVGXSKYLP-NRFANRHFSA-N -1 1 444.512 5.543 50 30 IKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001450491 568818057 /nfs/dbraw/zinc/81/80/57/568818057.db2.gz GPZYWWTWTRLGPW-JOCHJYFZSA-N -1 1 446.503 5.072 50 30 IKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 ZINC000001450645 568818115 /nfs/dbraw/zinc/81/81/15/568818115.db2.gz SQFGOWVGXSKYLP-OAQYLSRUSA-N -1 1 444.512 5.543 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009433835 568883433 /nfs/dbraw/zinc/88/34/33/568883433.db2.gz YQOXTSAJEXQPOE-HSZRJFAPSA-N -1 1 447.462 5.016 50 30 IKEAMM Cc1cc2nc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3O)oc2c(C)c1 ZINC000001885590 568917497 /nfs/dbraw/zinc/91/74/97/568917497.db2.gz NWZYJXYIESWLEX-YSURURNPSA-N -1 1 437.839 5.835 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)sc1C ZINC000017147244 569174749 /nfs/dbraw/zinc/17/47/49/569174749.db2.gz NUEIDWCSJXAJPD-INIZCTEOSA-N -1 1 430.938 5.258 50 30 IKEAMM Cc1ccc2oc(-c3ccc(N=Cc4cc(C)cc(Br)c4O)cc3[O-])nc2c1 ZINC000252591194 569192537 /nfs/dbraw/zinc/19/25/37/569192537.db2.gz AYWLYDJECWPBRF-UHFFFAOYSA-N -1 1 437.293 6.036 50 30 IKEAMM COc1ccc(C=Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1Br ZINC000252625940 569203174 /nfs/dbraw/zinc/20/31/74/569203174.db2.gz QSKVIGSLLCJWQV-UHFFFAOYSA-N -1 1 437.293 6.031 50 30 IKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1 ZINC000003085175 569213180 /nfs/dbraw/zinc/21/31/80/569213180.db2.gz TZSLCILXKHLQFZ-BHGWPJFGSA-N -1 1 425.257 6.161 50 30 IKEAMM CCCCCCCCCn1c([O-])c(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21 ZINC000002291039 569267882 /nfs/dbraw/zinc/26/78/82/569267882.db2.gz NNWVHLCMCRBGMT-UHFFFAOYSA-N -1 1 434.580 6.327 50 30 IKEAMM Cc1c(C#N)c([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)sc1C(=O)N(C)C ZINC000002772641 569420731 /nfs/dbraw/zinc/42/07/31/569420731.db2.gz MFCAKOYNESSODM-UHFFFAOYSA-N -1 1 438.361 5.404 50 30 IKEAMM COc1ccc(C=Nn2cn[n-]c2=S)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000002790082 569421384 /nfs/dbraw/zinc/42/13/84/569421384.db2.gz CKOHUIPDZOROKC-QPJQQBGISA-N -1 1 443.743 5.371 50 30 IKEAMM COc1c(F)c(F)c(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(F)c1F ZINC000002879932 569423979 /nfs/dbraw/zinc/42/39/79/569423979.db2.gz LLOYOXZLGXCDFB-SECBINFHSA-N -1 1 440.462 5.588 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)o1 ZINC000008817538 569476927 /nfs/dbraw/zinc/47/69/27/569476927.db2.gz HBQGFLGBTVZPQP-OAQYLSRUSA-N -1 1 444.512 5.597 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000008836249 569478027 /nfs/dbraw/zinc/47/80/27/569478027.db2.gz SKDSIEVORVZBEE-LJQANCHMSA-N -1 1 438.936 5.505 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000008895884 569483772 /nfs/dbraw/zinc/48/37/72/569483772.db2.gz NMFAUXJJCPWEBT-INIZCTEOSA-N -1 1 430.938 5.258 50 30 IKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008921366 569486828 /nfs/dbraw/zinc/48/68/28/569486828.db2.gz XDMMNKSTZOZEBT-NRFANRHFSA-N -1 1 448.544 5.448 50 30 IKEAMM C=CCN1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000008934548 569487974 /nfs/dbraw/zinc/48/79/74/569487974.db2.gz FWFBMORQGDLJPJ-GOSISDBHSA-N -1 1 449.338 5.449 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000009008751 569496274 /nfs/dbraw/zinc/49/62/74/569496274.db2.gz XTXKQCXRYHKGAZ-LJQANCHMSA-N -1 1 438.936 5.505 50 30 IKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1ccc(C)c(Cl)c1 ZINC000009019927 569496994 /nfs/dbraw/zinc/49/69/94/569496994.db2.gz FUBHKXHBINXWTC-QFIPXVFZSA-N -1 1 433.891 5.440 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000009046408 569498371 /nfs/dbraw/zinc/49/83/71/569498371.db2.gz WITXNGJCWMBPKR-OAQYLSRUSA-N -1 1 444.487 5.527 50 30 IKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000009174694 569509753 /nfs/dbraw/zinc/50/97/53/569509753.db2.gz NSDCRQFEPMSZRH-INIZCTEOSA-N -1 1 430.938 5.258 50 30 IKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009233996 569513942 /nfs/dbraw/zinc/51/39/42/569513942.db2.gz CATUEGNQZGESCX-OAQYLSRUSA-N -1 1 444.487 5.527 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009234756 569513963 /nfs/dbraw/zinc/51/39/63/569513963.db2.gz VKFFDQKYTSFJKJ-FQEVSTJZSA-N -1 1 430.485 5.289 50 30 IKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 ZINC000009271117 569517788 /nfs/dbraw/zinc/51/77/88/569517788.db2.gz MCVJPECZYLSNJA-NRFANRHFSA-N -1 1 442.496 5.088 50 30 IKEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000009272871 569518028 /nfs/dbraw/zinc/51/80/28/569518028.db2.gz IRYULHGESAUXQR-NRFANRHFSA-N -1 1 448.316 5.540 50 30 IKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc3ccccc32)s1 ZINC000009339454 569523814 /nfs/dbraw/zinc/52/38/14/569523814.db2.gz ZTEXITHKHWRTMF-NRFANRHFSA-N -1 1 441.512 5.091 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009370880 569526881 /nfs/dbraw/zinc/52/68/81/569526881.db2.gz QHLYBKWHGDWSFG-NRFANRHFSA-N -1 1 438.310 6.085 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009370880 569526882 /nfs/dbraw/zinc/52/68/82/569526882.db2.gz QHLYBKWHGDWSFG-NRFANRHFSA-N -1 1 438.310 6.085 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1 ZINC000009373813 569527091 /nfs/dbraw/zinc/52/70/91/569527091.db2.gz CTGSYTYMMWJPPE-NRFANRHFSA-N -1 1 444.487 5.527 50 30 IKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009379858 569527805 /nfs/dbraw/zinc/52/78/05/569527805.db2.gz ALMHUHLBSFVWIG-JOCHJYFZSA-N -1 1 449.890 5.140 50 30 IKEAMM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Br)c2)cc1 ZINC000009380129 569527828 /nfs/dbraw/zinc/52/78/28/569527828.db2.gz RWXQMXUNKHPHCM-NRFANRHFSA-N -1 1 448.316 5.540 50 30 IKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009461025 569537046 /nfs/dbraw/zinc/53/70/46/569537046.db2.gz FXHGIRNXNZEHNV-OAQYLSRUSA-N -1 1 444.512 5.796 50 30 IKEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000009464616 569537743 /nfs/dbraw/zinc/53/77/43/569537743.db2.gz GRPULRAITOAXSH-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000009464616 569537744 /nfs/dbraw/zinc/53/77/44/569537744.db2.gz GRPULRAITOAXSH-OAQYLSRUSA-N -1 1 448.862 5.340 50 30 IKEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009494405 569540917 /nfs/dbraw/zinc/54/09/17/569540917.db2.gz BDWARKGJTKUSIN-KRWDZBQOSA-N -1 1 429.611 5.233 50 30 IKEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009608806 569552186 /nfs/dbraw/zinc/55/21/86/569552186.db2.gz ZRZQVYAFRNBQQO-QGZVFWFLSA-N -1 1 427.545 5.002 50 30 IKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009861228 569571936 /nfs/dbraw/zinc/57/19/36/569571936.db2.gz SVVDWRDMLAPSNF-OAQYLSRUSA-N -1 1 442.496 5.093 50 30 IKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccnc2)cc1 ZINC000009861076 569571948 /nfs/dbraw/zinc/57/19/48/569571948.db2.gz CFHUCWZHPCKDJB-QFIPXVFZSA-N -1 1 432.907 5.641 50 30 IKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000009993307 569576921 /nfs/dbraw/zinc/57/69/21/569576921.db2.gz SDEWEGVSYLVQCF-HXUWFJFHSA-N -1 1 446.915 5.733 50 30 IKEAMM