smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(CNCc2cccc(C)c2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776907 210169454 /nfs/dbraw/zinc/16/94/54/210169454.db2.gz HDSGDTRIKISNDO-UHFFFAOYSA-N -1 3 380.463 4.589 50 0 GJAAHM Cc1c(CNCc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000015776794 210168690 /nfs/dbraw/zinc/16/86/90/210168690.db2.gz BJZWFICYIZETNG-UHFFFAOYSA-N -1 3 380.463 4.589 50 0 GJAAHM CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cc(Br)ccc3[O-])c2C1 ZINC000002465869 209366512 /nfs/dbraw/zinc/36/65/12/209366512.db2.gz OTDALBYFKSTJJA-JTQLQIEISA-N -1 3 393.281 4.546 50 0 GJAAHM CC[C@@H](C)c1ccc(NC(=O)c2cc(Br)ccc2OC)c([O-])c1 ZINC000001170600 209310052 /nfs/dbraw/zinc/31/00/52/209310052.db2.gz KQLZPGBZUVPYKJ-LLVKDONJSA-N -1 3 378.266 4.929 50 0 GJAAHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc2ccccc2c1 ZINC000001116528 209302714 /nfs/dbraw/zinc/30/27/14/209302714.db2.gz DPDYOERDQZUTPR-UHFFFAOYSA-N -1 3 380.238 4.542 50 0 GJAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1C(C)C ZINC000001061134 203877780 /nfs/dbraw/zinc/87/77/80/203877780.db2.gz KSIIIUZIHIVZCR-UHFFFAOYSA-N -1 3 390.530 4.846 50 0 GJAAHM O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000006785609 204206094 /nfs/dbraw/zinc/20/60/94/204206094.db2.gz VMDGGUCJGIMQTO-QFIPXVFZSA-N -1 3 385.398 4.671 50 0 GJAAHM O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000006785609 204206098 /nfs/dbraw/zinc/20/60/98/204206098.db2.gz VMDGGUCJGIMQTO-QFIPXVFZSA-N -1 3 385.398 4.671 50 0 GJAAHM O=C([O-])c1c(CNCc2cccs2)c2ccccc2n1Cc1cccc(F)c1 ZINC000006794201 204207011 /nfs/dbraw/zinc/20/70/11/204207011.db2.gz SAVBFKXVPZYHQY-UHFFFAOYSA-N -1 3 394.471 4.878 50 0 GJAAHM Cc1c(CNCc2ccc(F)cc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008610929 204282641 /nfs/dbraw/zinc/28/26/41/204282641.db2.gz CROAPACGLJWSDL-UHFFFAOYSA-N -1 3 394.490 4.897 50 0 GJAAHM O=c1nc(Cc2ccc(C(F)(F)F)cn2)[n-]c2scc(-c3cccs3)c21 ZINC000054751788 205139611 /nfs/dbraw/zinc/13/96/11/205139611.db2.gz HJTIXQMLMQWVMT-UHFFFAOYSA-N -1 3 393.415 4.718 50 0 GJAAHM CC(C)CSc1nc2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2s1 ZINC000096399621 211342140 /nfs/dbraw/zinc/34/21/40/211342140.db2.gz UNHKFWCVNRPUBH-UHFFFAOYSA-N -1 3 392.571 4.986 50 0 GJAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000095478203 211248254 /nfs/dbraw/zinc/24/82/54/211248254.db2.gz UOLZRPZIBPEWDO-MRXNPFEDSA-N -1 3 377.897 4.759 50 0 GJAAHM O=c1nc(CN2CC=C(c3ccccc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000084564652 211170174 /nfs/dbraw/zinc/17/01/74/211170174.db2.gz FWPVTANMKLIMDJ-UHFFFAOYSA-N -1 3 399.519 4.941 50 0 GJAAHM Cc1c(CNCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777019 221344861 /nfs/dbraw/zinc/34/48/61/221344861.db2.gz PXQMZQHCQRFYRU-UHFFFAOYSA-N -1 3 382.891 4.795 50 0 GJAAHM O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccccc1[O-] ZINC000000642695 570213589 /nfs/dbraw/zinc/21/35/89/570213589.db2.gz FWPGBARJBDOWHQ-UHFFFAOYSA-N -1 3 377.010 4.806 50 0 GJAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c(C)s1 ZINC000032532368 570220576 /nfs/dbraw/zinc/22/05/76/570220576.db2.gz UOSAQJFMXFMCRZ-UHFFFAOYSA-N -1 3 380.716 4.582 50 0 GJAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000001123413 570243771 /nfs/dbraw/zinc/24/37/71/570243771.db2.gz CAGSRXDAWIPFRA-LJQANCHMSA-N -1 3 376.378 4.607 50 0 GJAAHM COc1ccc(Cc2nnc([N-]C(=O)c3c(Cl)cccc3Cl)s2)cc1 ZINC000001127795 570244958 /nfs/dbraw/zinc/24/49/58/570244958.db2.gz KCMHOIYHOUZRFY-UHFFFAOYSA-N -1 3 394.283 4.697 50 0 GJAAHM O=C(c1ccc(-c2ccccc2)cc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000001212473 570258455 /nfs/dbraw/zinc/25/84/55/570258455.db2.gz ORMZEFLKTWGZBG-PXNSSMCTSA-N -1 3 388.389 4.607 50 0 GJAAHM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1c(Cl)cccc1Cl ZINC000012921264 570295112 /nfs/dbraw/zinc/29/51/12/570295112.db2.gz XTWMOIJMOYLKOF-CYBMUJFWSA-N -1 3 392.304 4.648 50 0 GJAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c(C)c1 ZINC000002858115 570310401 /nfs/dbraw/zinc/31/04/01/570310401.db2.gz QCBNRLSGPDDNMC-UHFFFAOYSA-N -1 3 388.714 4.829 50 0 GJAAHM Cc1ccc(-n2cccc2/C=C2\[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000034913454 570347130 /nfs/dbraw/zinc/34/71/30/570347130.db2.gz AKGRGWMCGLMXDT-UYRXBGFRSA-N -1 3 377.831 4.536 50 0 GJAAHM Cc1c([O-])ccc2c(CN(Cc3ccco3)Cc3ccccc3)cc(=O)oc12 ZINC000023993009 570376550 /nfs/dbraw/zinc/37/65/50/570376550.db2.gz WWADQISGPLQCFT-UHFFFAOYSA-N -1 3 375.424 4.602 50 0 GJAAHM Cc1noc(C)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)c(F)c1 ZINC000035671760 570411736 /nfs/dbraw/zinc/41/17/36/570411736.db2.gz JDRZUXWHLHOCGQ-UHFFFAOYSA-N -1 3 392.386 4.968 50 0 GJAAHM O=c1nc(CN2CCC[C@@H]2c2ccc(F)cc2)[n-]c2scc(-c3ccco3)c21 ZINC000025444606 570413886 /nfs/dbraw/zinc/41/38/86/570413886.db2.gz POHZTDSZYSXKAK-MRXNPFEDSA-N -1 3 395.459 4.721 50 0 GJAAHM Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc([O-])cc2)c2ccccc2)cc1Cl ZINC000006566600 570479571 /nfs/dbraw/zinc/47/95/71/570479571.db2.gz ZQKIBSIMHCJQOG-HXUWFJFHSA-N -1 3 395.842 4.891 50 0 aggregator GJAAHM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690030 570494492 /nfs/dbraw/zinc/49/44/92/570494492.db2.gz KBAIUAJMRMHVQW-WBMJQRKESA-N -1 3 390.940 4.534 50 0 GJAAHM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690029 570494760 /nfs/dbraw/zinc/49/47/60/570494760.db2.gz SRUCLAWPDCBJCA-MLGOLLRUSA-N -1 3 390.940 4.534 50 0 GJAAHM COc1ccc([C@H]2c3c([n-]nc3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000005249129 570525237 /nfs/dbraw/zinc/52/52/37/570525237.db2.gz GXJKWWDRJUFSCX-QHCPKHFHSA-N -1 3 399.425 4.974 50 0 GJAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000005249129 570525239 /nfs/dbraw/zinc/52/52/39/570525239.db2.gz GXJKWWDRJUFSCX-QHCPKHFHSA-N -1 3 399.425 4.974 50 0 GJAAHM C[C@H](Oc1ccccc1Cl)C(=O)[N-]c1cc(-c2ccc(F)c(F)c2)no1 ZINC000005482936 570610912 /nfs/dbraw/zinc/61/09/12/570610912.db2.gz DZWIGNOSHKVYBN-JTQLQIEISA-N -1 3 378.762 4.679 50 0 GJAAHM Cc1c([C@@H](C)NCc2ccc([O-])c(Cl)c2)cnn1-c1ccc(F)cc1F ZINC000012753829 570710133 /nfs/dbraw/zinc/71/01/33/570710133.db2.gz PCARLZZJTIKMPE-LLVKDONJSA-N -1 3 377.822 4.669 50 0 GJAAHM O=c1nc(CN2CC[C@@H]3CCCC[C@H]3C2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000036447033 570712138 /nfs/dbraw/zinc/71/21/38/570712138.db2.gz RKHJKQOCOWWYKD-HOCLYGCPSA-N -1 3 397.519 4.803 50 0 GJAAHM CCCCC(=O)NC([N-]c1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000003145720 570733993 /nfs/dbraw/zinc/73/39/93/570733993.db2.gz OQTQFEMQYCUZNN-UHFFFAOYSA-N -1 3 376.728 4.879 50 0 GJAAHM COc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3cc([O-])ccc3o2)cc1 ZINC000013541477 570756754 /nfs/dbraw/zinc/75/67/54/570756754.db2.gz DDJRCMGWFHEAEA-LYBHJNIJSA-N -1 3 387.391 4.775 50 0 GJAAHM Cc1ccccc1OCC(=O)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1 ZINC000013623999 570763348 /nfs/dbraw/zinc/76/33/48/570763348.db2.gz GGPDGQQUOHVYEA-UHFFFAOYSA-N -1 3 388.423 4.835 50 0 GJAAHM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(Br)c1 ZINC000007057121 570775453 /nfs/dbraw/zinc/77/54/53/570775453.db2.gz ZOJPCLMNFFCONU-UHFFFAOYSA-N -1 3 394.212 4.577 50 0 GJAAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 ZINC000102641251 570856805 /nfs/dbraw/zinc/85/68/05/570856805.db2.gz SLEZNPUFOXUMPK-GOSISDBHSA-N -1 3 375.403 4.931 50 0 GJAAHM O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@H](c3ccccn3)C12 ZINC000102752922 570862268 /nfs/dbraw/zinc/86/22/68/570862268.db2.gz CDAUPVNDJBUNPR-KZULUSFZSA-N -1 3 393.834 4.747 50 0 GJAAHM O=c1[n-]c(SCc2cccc(Cl)c2)nc2c1CN(Cc1ccccc1)CC2 ZINC000033287240 570955372 /nfs/dbraw/zinc/95/53/72/570955372.db2.gz ZYOMWARSHDKRRO-UHFFFAOYSA-N -1 3 397.931 4.686 50 0 GJAAHM CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccc(OC)cc3)oc2cc1[O-] ZINC000002183087 570993789 /nfs/dbraw/zinc/99/37/89/570993789.db2.gz WOSPHJMHSMUWCG-BZZOAKBMSA-N -1 3 394.471 4.601 50 0 GJAAHM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S1 ZINC000033365630 570998100 /nfs/dbraw/zinc/99/81/00/570998100.db2.gz XRSPZHGMGXNSKE-YBEGLDIGSA-N -1 3 381.844 4.517 50 0 GJAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)c(C)s1 ZINC000046056949 571017089 /nfs/dbraw/zinc/01/70/89/571017089.db2.gz UBVMSSGGKNPDDQ-KRWDZBQOSA-N -1 3 393.512 4.785 50 0 GJAAHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc2nc(Cl)sc2c1 ZINC000084490233 571018781 /nfs/dbraw/zinc/01/87/81/571018781.db2.gz ITIGEUXCKFTRRW-UHFFFAOYSA-N -1 3 377.249 4.543 50 0 GJAAHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000017341775 210209555 /nfs/dbraw/zinc/20/95/55/210209555.db2.gz PQZJHOQNNHKXPL-UHFFFAOYSA-N -1 3 376.482 4.560 50 0 GJAAHM O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[O-])[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000016183916 210186416 /nfs/dbraw/zinc/18/64/16/210186416.db2.gz DOACPULUEQQBJN-WNXIRNOKSA-N -1 3 395.458 4.635 50 0 GJAAHM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000014256596 210114384 /nfs/dbraw/zinc/11/43/84/210114384.db2.gz BUDAWFWGKROJJG-UHFFFAOYSA-N -1 3 382.323 4.856 50 0 GJAAHM Cc1cc(NC(=O)c2cc3ccccc3o2)cc(-c2nc3ncccc3o2)c1[O-] ZINC000004736810 209520008 /nfs/dbraw/zinc/52/00/08/209520008.db2.gz AGXRJKFWNWTGDD-UHFFFAOYSA-N -1 3 385.379 4.902 50 0 GJAAHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000002756166 209382549 /nfs/dbraw/zinc/38/25/49/209382549.db2.gz HFMBZVBYGWPGFG-UHFFFAOYSA-N -1 3 381.078 4.557 50 0 GJAAHM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S1 ZINC000009329537 209265022 /nfs/dbraw/zinc/26/50/22/209265022.db2.gz XRSPZHGMGXNSKE-MHWRWJLKSA-N -1 3 381.844 4.517 50 0 GJAAHM CCCCCCc1cc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc2cc1[O-] ZINC000004177549 204032148 /nfs/dbraw/zinc/03/21/48/204032148.db2.gz IUQYXDHNFIIIDQ-BZZOAKBMSA-N -1 3 378.472 4.901 50 0 GJAAHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Cl)N1 ZINC000004599017 204057122 /nfs/dbraw/zinc/05/71/22/204057122.db2.gz VXPNMJSOHRRZDF-INIZCTEOSA-N -1 3 376.806 4.763 50 0 GJAAHM Cc1c(CNCc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146318 204115755 /nfs/dbraw/zinc/11/57/55/204115755.db2.gz IMGMABCUXXJBAC-UHFFFAOYSA-N -1 3 382.891 4.795 50 0 GJAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3cc(C)ccc3c2C)cc1 ZINC000008614069 204282681 /nfs/dbraw/zinc/28/26/81/204282681.db2.gz CIFWJIIFILKYAV-UHFFFAOYSA-N -1 3 377.400 4.751 50 0 GJAAHM C[C@H](Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)c1ccccc1 ZINC000009639703 204317871 /nfs/dbraw/zinc/31/78/71/204317871.db2.gz MGIHNNVOMBQUEQ-LBPRGKRZSA-N -1 3 382.876 4.616 50 0 GJAAHM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cccc(Cl)c2)c1 ZINC000046057389 205103230 /nfs/dbraw/zinc/10/32/30/205103230.db2.gz RHOYYOGZDHYHFZ-SFHVURJKSA-N -1 3 393.874 4.705 50 0 GJAAHM Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C([O-])c1ccc(Cl)cc1)CC(=O)N2 ZINC000046056462 205103390 /nfs/dbraw/zinc/10/33/90/205103390.db2.gz SUOHOUKCFGPWAN-GOSISDBHSA-N -1 3 393.874 4.760 50 0 GJAAHM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cccc(Cl)c2)c1 ZINC000046057386 205103809 /nfs/dbraw/zinc/10/38/09/205103809.db2.gz RHOYYOGZDHYHFZ-GOSISDBHSA-N -1 3 393.874 4.705 50 0 GJAAHM Cc1cc([O-])c(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1Cl ZINC000072427475 205348204 /nfs/dbraw/zinc/34/82/04/205348204.db2.gz MKTGHHDNQLUULH-UHFFFAOYSA-N -1 3 376.243 4.958 50 0 GJAAHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc(F)cc1Cl ZINC000020836404 210363151 /nfs/dbraw/zinc/36/31/51/210363151.db2.gz LSXCTVDGHQCRAE-UHFFFAOYSA-N -1 3 379.869 4.875 50 0 GJAAHM CCOc1cc([C@@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1[O-] ZINC000001152045 570249208 /nfs/dbraw/zinc/24/92/08/570249208.db2.gz DREJBWRWPMIOLB-ZDUSSCGKSA-N -1 3 390.277 4.644 50 0 GJAAHM C[C@@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000012854012 570267110 /nfs/dbraw/zinc/26/71/10/570267110.db2.gz SUDZVTPCNBAXPS-AWEZNQCLSA-N -1 3 393.487 4.984 50 0 GJAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc(C)cc3)on2)sc2c1CCC2 ZINC000027664270 570439631 /nfs/dbraw/zinc/43/96/31/570439631.db2.gz PQIYHFBABBUXSD-UHFFFAOYSA-N -1 3 396.468 4.629 50 0 GJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)cc1 ZINC000006858595 570497074 /nfs/dbraw/zinc/49/70/74/570497074.db2.gz LEUBKGVXBBQUGB-UHFFFAOYSA-N -1 3 394.496 4.665 50 0 GJAAHM COc1ccc(CN2CCCCC[C@@H]2c2ccncc2)c(Br)c1[O-] ZINC000097376995 570510149 /nfs/dbraw/zinc/51/01/49/570510149.db2.gz XTGPINODCFYZCD-MRXNPFEDSA-N -1 3 391.309 4.676 50 0 GJAAHM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036104708 570541425 /nfs/dbraw/zinc/54/14/25/570541425.db2.gz KBAIUAJMRMHVQW-BLLLJJGKSA-N -1 3 390.940 4.534 50 0 GJAAHM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccccc2Cl)on1 ZINC000064845618 570565426 /nfs/dbraw/zinc/56/54/26/570565426.db2.gz QNCRFPVJUCDLBC-UHFFFAOYSA-N -1 3 382.894 4.783 50 0 GJAAHM COc1cccc2cc(-c3nnc([N-]c4ccccc4Cl)s3)c(=O)oc21 ZINC000004592712 570622968 /nfs/dbraw/zinc/62/29/68/570622968.db2.gz PDCOUEBUXVQNTB-UHFFFAOYSA-N -1 3 385.832 4.717 50 0 GJAAHM COc1cc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)cc(Cl)c1[O-] ZINC000012385815 570651057 /nfs/dbraw/zinc/65/10/57/570651057.db2.gz JGCURWMSQCMXSV-CQSZACIVSA-N -1 3 379.909 4.519 50 0 GJAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000002497914 570720294 /nfs/dbraw/zinc/72/02/94/570720294.db2.gz KTVHTNVQGATMJZ-UHFFFAOYSA-N -1 3 376.459 4.510 50 0 GJAAHM 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571063535 /nfs/dbraw/zinc/06/35/35/571063535.db2.gz FIDNLZYKFGMDEH-FQEVSTJZSA-N -1 3 376.456 4.728 50 0 GJAAHM Cc1c(CN[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776841 210169927 /nfs/dbraw/zinc/16/99/27/210169927.db2.gz HYYITMDUPDSFGI-OAHLLOKOSA-N -1 3 380.463 4.841 50 0 GJAAHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)sc2nc(-c3ccccc3)cn12 ZINC000013689851 210081773 /nfs/dbraw/zinc/08/17/73/210081773.db2.gz LHUHOIUTSIGXIJ-UHFFFAOYSA-N -1 3 383.502 4.598 50 0 GJAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2ccc(Br)cc2)on1 ZINC000002465542 209366521 /nfs/dbraw/zinc/36/65/21/209366521.db2.gz UPMDJGLZQWGETH-UHFFFAOYSA-N -1 3 379.160 4.635 50 0 GJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000001071784 209296462 /nfs/dbraw/zinc/29/64/62/209296462.db2.gz TXEUBAWRIDRJGZ-UHFFFAOYSA-N -1 3 389.860 4.942 50 0 GJAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 ZINC000004889049 204087038 /nfs/dbraw/zinc/08/70/38/204087038.db2.gz LHBFUCKFXVFDJI-HSZRJFAPSA-N -1 3 381.435 4.835 50 0 GJAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 ZINC000004889049 204087046 /nfs/dbraw/zinc/08/70/46/204087046.db2.gz LHBFUCKFXVFDJI-HSZRJFAPSA-N -1 3 381.435 4.835 50 0 GJAAHM CCOc1cc(/C=C/c2ccc3cccc([O-])c3n2)c(Br)cc1O ZINC000005049759 204106780 /nfs/dbraw/zinc/10/67/80/204106780.db2.gz ILVNAINEYSGELU-VQHVLOKHSA-N -1 3 386.245 4.978 50 0 GJAAHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc4ccccc43)nc(=O)c2c1C ZINC000005639922 204144089 /nfs/dbraw/zinc/14/40/89/204144089.db2.gz IGAURKAFVSZZLP-GFCCVEGCSA-N -1 3 378.453 4.673 50 0 GJAAHM O=C([O-])c1c(CNCc2ccccc2)c2ccccc2n1Cc1ccccc1F ZINC000006803787 204207941 /nfs/dbraw/zinc/20/79/41/204207941.db2.gz OTRGBCCCSZSHQD-UHFFFAOYSA-N -1 3 388.442 4.817 50 0 GJAAHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccccc1Br ZINC000007405334 204240567 /nfs/dbraw/zinc/24/05/67/204240567.db2.gz BDRXALSIQYGIAK-UHFFFAOYSA-N -1 3 381.078 4.557 50 0 GJAAHM CN(Cc1cccc(F)c1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000007900913 204253668 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Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(OC(C)C)cc1 ZINC000011914659 204360857 /nfs/dbraw/zinc/36/08/57/204360857.db2.gz HGISRHUGOYQUHA-UHFFFAOYSA-N -1 3 395.390 4.970 50 0 GJAAHM COC(=O)c1c([N-]c2cc(OC)ccc2OC)onc1-c1cccc(Cl)c1 ZINC000046914665 205108155 /nfs/dbraw/zinc/10/81/55/205108155.db2.gz CGGIIIQBCPEZJR-UHFFFAOYSA-N -1 3 388.807 4.542 50 0 GJAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cc(C)cc(C)c2)c(C)s1 ZINC000046056379 205102627 /nfs/dbraw/zinc/10/26/27/205102627.db2.gz PKKBIUCFNNYCPK-SFHVURJKSA-N -1 3 393.512 4.785 50 0 GJAAHM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cccc(Cl)c2)cc1 ZINC000046057571 205103900 /nfs/dbraw/zinc/10/39/00/205103900.db2.gz QBJQCXWCHKAODL-GOSISDBHSA-N -1 3 393.874 4.705 50 0 GJAAHM O=C(c1cccc([O-])c1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071763262 205295794 /nfs/dbraw/zinc/29/57/94/205295794.db2.gz DFKZXERZWGHROQ-HNNXBMFYSA-N -1 3 377.406 4.896 50 0 GJAAHM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)S1 ZINC000033293977 206096489 /nfs/dbraw/zinc/09/64/89/206096489.db2.gz RPHITZWRJMOWKO-CHHVJCJISA-N -1 3 380.252 4.896 50 0 GJAAHM Cc1ccc(-n2cccc2/C=C2\[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000033768045 206100497 /nfs/dbraw/zinc/10/04/97/206100497.db2.gz QLRYSESRNSHABV-UYRXBGFRSA-N -1 3 391.858 4.845 50 0 GJAAHM O=c1[n-]n(C2CCCCCCC2)c2c1[C@H](c1cccc(O)c1)SCC(=O)N2 ZINC000095476244 211247102 /nfs/dbraw/zinc/24/71/02/211247102.db2.gz VAAZGZCKLZSIDI-SFHVURJKSA-N -1 3 387.505 4.592 50 0 GJAAHM O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000067692767 211018080 /nfs/dbraw/zinc/01/80/80/211018080.db2.gz FLKTZXBIGCCXMV-UHFFFAOYSA-N -1 3 388.345 4.528 50 0 GJAAHM CC(C)(C)c1cnc(CSc2n[n-]c(COc3ccc(Cl)cc3)n2)o1 ZINC000048354924 570243231 /nfs/dbraw/zinc/24/32/31/570243231.db2.gz APFMTWSJHQAOIW-UHFFFAOYSA-N -1 3 378.885 4.615 50 0 GJAAHM CCCc1cc(-c2onc(C)c2-c2ccc(C(=O)OCC)o2)c([O-])cc1OC ZINC000001504602 570252013 /nfs/dbraw/zinc/25/20/13/570252013.db2.gz IWCWQQFBNYRLMT-UHFFFAOYSA-N -1 3 385.416 4.753 50 0 biogenic GJAAHM C[C@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000012854010 570267187 /nfs/dbraw/zinc/26/71/87/570267187.db2.gz SUDZVTPCNBAXPS-CQSZACIVSA-N -1 3 393.487 4.984 50 0 GJAAHM O=C1CS[C@H](c2cccc(Br)c2)N1c1cc(Cl)ccc1[O-] ZINC000002949835 570319434 /nfs/dbraw/zinc/31/94/34/570319434.db2.gz KEGQNJITMFBVAC-OAHLLOKOSA-N -1 3 384.682 4.587 50 0 GJAAHM O=C1CS[C@@H](c2cccc(Br)c2)N1c1cc(Cl)ccc1[O-] ZINC000002949834 570319532 /nfs/dbraw/zinc/31/95/32/570319532.db2.gz KEGQNJITMFBVAC-HNNXBMFYSA-N -1 3 384.682 4.587 50 0 in-vivo GJAAHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000022739403 570325954 /nfs/dbraw/zinc/32/59/54/570325954.db2.gz BKXWSEQQZAWTJL-UHFFFAOYSA-N -1 3 392.509 4.813 50 0 GJAAHM O=C([N-]c1ccc(F)c(F)c1F)c1csc(COc2ccc(F)cc2)n1 ZINC000023079868 570343411 /nfs/dbraw/zinc/34/34/11/570343411.db2.gz BRUFVFGKQLFDLZ-UHFFFAOYSA-N -1 3 382.338 4.531 50 0 GJAAHM Cc1ccccc1C(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1[O-] ZINC000008190300 570364498 /nfs/dbraw/zinc/36/44/98/570364498.db2.gz IHUABNIXOKMGSG-UHFFFAOYSA-N -1 3 394.858 4.788 50 0 GJAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 ZINC000004551348 570383764 /nfs/dbraw/zinc/38/37/64/570383764.db2.gz IIDXTANDCIHAPJ-MRXNPFEDSA-N -1 3 397.809 4.815 50 0 GJAAHM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cc(C)sc2C)cc1 ZINC000035511542 570388362 /nfs/dbraw/zinc/38/83/62/570388362.db2.gz PYEQEWXEKMSZRG-GOSISDBHSA-N -1 3 393.512 4.730 50 0 GJAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(F)cc3c2C)cc1C ZINC000027989985 570448368 /nfs/dbraw/zinc/44/83/68/570448368.db2.gz JHOZVGWGOQQVTE-UHFFFAOYSA-N -1 3 395.390 4.890 50 0 GJAAHM O=C(Nc1cccc([O-])c1F)c1csc(-c2ccc(Br)s2)n1 ZINC000128670175 570461321 /nfs/dbraw/zinc/46/13/21/570461321.db2.gz DUUVEWOIZDQGOB-UHFFFAOYSA-N -1 3 399.266 4.731 50 0 GJAAHM CC(C)c1cnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)n1C(C)C ZINC000128985972 570462393 /nfs/dbraw/zinc/46/23/93/570462393.db2.gz QTWPCNOGRPRSJM-UHFFFAOYSA-N -1 3 382.489 4.862 50 0 GJAAHM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)c(C)n2C)n1 ZINC000064668246 570514249 /nfs/dbraw/zinc/51/42/49/570514249.db2.gz MGBFMUUWURFIPD-UHFFFAOYSA-N -1 3 395.937 4.528 50 0 GJAAHM O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-])N1CCCCC1 ZINC000003656371 570539452 /nfs/dbraw/zinc/53/94/52/570539452.db2.gz UFDZACYACAMOFS-KRWDZBQOSA-N -1 3 388.305 4.689 50 0 GJAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-]Cc3cccc(Cl)c3)s2)n1 ZINC000064769375 570541652 /nfs/dbraw/zinc/54/16/52/570541652.db2.gz VRFRBMBGYOYRRV-UHFFFAOYSA-N -1 3 398.962 4.566 50 0 GJAAHM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022853282 570556673 /nfs/dbraw/zinc/55/66/73/570556673.db2.gz YBLFLAKLBGNSPB-MRXNPFEDSA-N -1 3 390.940 4.534 50 0 GJAAHM COc1cc(CN2CCC[C@H](C(=O)c3sccc3C)C2)cc(Cl)c1[O-] ZINC000012385816 570650727 /nfs/dbraw/zinc/65/07/27/570650727.db2.gz JGCURWMSQCMXSV-AWEZNQCLSA-N -1 3 379.909 4.519 50 0 GJAAHM CCOc1cccc2cc(C(=O)[N-]c3nnc(Cc4ccc(C)cc4C)o3)oc21 ZINC000008923035 570683634 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4.707 50 0 GJAAHM COc1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc(Cl)c1[O-] ZINC000014970761 570868001 /nfs/dbraw/zinc/86/80/01/570868001.db2.gz UIPGFDHUYANJBF-HNNXBMFYSA-N -1 3 394.298 4.803 50 0 GJAAHM CC(=O)C(Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)=C(C)[O-] ZINC000012603650 570887453 /nfs/dbraw/zinc/88/74/53/570887453.db2.gz PSULOMVJPBTKQE-UHFFFAOYSA-N -1 3 399.497 4.713 50 0 GJAAHM CSc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000002876949 570934271 /nfs/dbraw/zinc/93/42/71/570934271.db2.gz VVHIZFBTEHDBDJ-UHFFFAOYSA-N -1 3 381.828 4.882 50 0 GJAAHM Cc1nn(-c2ccc(F)cc2)c2c1C(=C([O-])c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056579 571016748 /nfs/dbraw/zinc/01/67/48/571016748.db2.gz UQLNVXRETFSEIL-FQEVSTJZSA-N -1 3 399.425 4.782 50 0 GJAAHM O=C([N-]c1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ncoc1[C@H]1CCCO1 ZINC000084525568 571021614 /nfs/dbraw/zinc/02/16/14/571021614.db2.gz AVAYDMWVNSRTKL-GDBMZVCRSA-N -1 3 395.484 4.507 50 0 GJAAHM Cc1ccccc1CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000002717876 209379378 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376.574 4.769 50 0 GJAAHM COc1cccc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1 ZINC000102751071 570861622 /nfs/dbraw/zinc/86/16/22/570861622.db2.gz XSMSXGUNDRTNOU-SGTLLEGYSA-N -1 3 394.456 4.769 50 0 GJAAHM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4[N-][C@H]3c3cccs3)C2)cc1 ZINC000102751894 570861838 /nfs/dbraw/zinc/86/18/38/570861838.db2.gz JHSVPQOMIMATBU-XIKOKIGWSA-N -1 3 394.456 4.769 50 0 GJAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000016605088 570928784 /nfs/dbraw/zinc/92/87/84/570928784.db2.gz LSWVZEGCAUKHNS-UHFFFAOYSA-N -1 3 377.803 4.980 50 0 GJAAHM Cc1cccc(C)c1Nc1c(-c2cc(Br)ccc2[O-])nc2[nH]cnn21 ZINC000004734381 570948672 /nfs/dbraw/zinc/94/86/72/570948672.db2.gz YBGLXTZPZACUGH-UHFFFAOYSA-N -1 3 398.264 4.553 50 0 GJAAHM CSc1nc2ccc([N-]S(=O)(=O)Cc3ccccc3Cl)cc2s1 ZINC000033298823 570962431 /nfs/dbraw/zinc/96/24/31/570962431.db2.gz SZELPTNTEGKMQP-UHFFFAOYSA-N -1 3 384.935 4.614 50 0 GJAAHM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cccc(Cl)c2)cc1 ZINC000046057574 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/nfs/dbraw/zinc/27/97/97/204279797.db2.gz FPRFGYPYVJOXOD-UHFFFAOYSA-N -1 3 378.457 4.639 50 0 GJAAHM Cc1onc(-c2cccc(Br)c2)c1C(=O)[N-]c1cc(F)ccc1F ZINC000035536430 204993840 /nfs/dbraw/zinc/99/38/40/204993840.db2.gz OUFUDNCMKUHEDP-UHFFFAOYSA-N -1 3 393.187 4.943 50 0 GJAAHM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1ccccc1Cl)CC(=O)N2 ZINC000046056753 205102715 /nfs/dbraw/zinc/10/27/15/205102715.db2.gz COABNLSAXZRCKG-KRWDZBQOSA-N -1 3 393.874 4.760 50 0 GJAAHM CC(C)CC[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000253536124 206149738 /nfs/dbraw/zinc/14/97/38/206149738.db2.gz CTXZLVFEGVGHRL-SNVBAGLBSA-N -1 3 399.716 4.911 50 0 GJAAHM CC(C)CC[C@@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000253536124 206149743 /nfs/dbraw/zinc/14/97/43/206149743.db2.gz CTXZLVFEGVGHRL-SNVBAGLBSA-N -1 3 399.716 4.911 50 0 GJAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1 ZINC000021034009 210375302 /nfs/dbraw/zinc/37/53/02/210375302.db2.gz JTXYPSBOTQRNHN-UHFFFAOYSA-N -1 3 398.484 4.727 50 0 GJAAHM COc1ccc(CNCc2c(C)n(-c3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1 ZINC000021024709 210375178 /nfs/dbraw/zinc/37/51/78/210375178.db2.gz QIGXEFZOWMRCKT-UHFFFAOYSA-N -1 3 398.890 4.744 50 0 GJAAHM O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[O-])[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101883141 570256180 /nfs/dbraw/zinc/25/61/80/570256180.db2.gz DOACPULUEQQBJN-XZOTUCIWSA-N -1 3 395.458 4.635 50 0 GJAAHM COC(=O)c1sccc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002144160 570276097 /nfs/dbraw/zinc/27/60/97/570276097.db2.gz FZWTULKRHGHWLF-UHFFFAOYSA-N -1 3 394.811 4.543 50 0 GJAAHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000015942524 570298513 /nfs/dbraw/zinc/29/85/13/570298513.db2.gz SQICBAMCZRXRIV-UHFFFAOYSA-N -1 3 392.839 4.812 50 0 GJAAHM CCOc1cc(C(=O)Nc2ccccc2[O-])ccc1OCCOc1ccccc1 ZINC000022024221 570302165 /nfs/dbraw/zinc/30/21/65/570302165.db2.gz ZLRCSJQTBYNUTC-UHFFFAOYSA-N -1 3 393.439 4.501 50 0 GJAAHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(Br)cc1Cl ZINC000016129571 570317770 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CCc1cc2c(CNc3ccc(OCC(F)(F)F)cc3)cc(=O)oc2cc1[O-] ZINC000011713174 570429699 /nfs/dbraw/zinc/42/96/99/570429699.db2.gz PMNHWCCPXKTASO-UHFFFAOYSA-N -1 3 393.361 4.614 50 0 GJAAHM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022853272 570556430 /nfs/dbraw/zinc/55/64/30/570556430.db2.gz WCYCEKDRRJHHHP-INIZCTEOSA-N -1 3 390.940 4.534 50 0 GJAAHM CC1CCC([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)CC1 ZINC000065004439 570644384 /nfs/dbraw/zinc/64/43/84/570644384.db2.gz OKZPSBAUSYLGRM-UHFFFAOYSA-N -1 3 380.535 4.528 50 0 GJAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(Br)cc1Cl ZINC000006889544 570683826 /nfs/dbraw/zinc/68/38/26/570683826.db2.gz ZCSUSBJBKYXAPN-UHFFFAOYSA-N -1 3 381.078 4.557 50 0 GJAAHM CCOc1ccc([C@H]2CCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000012803810 570718486 /nfs/dbraw/zinc/71/84/86/570718486.db2.gz FKOUDMPWCVFUNR-HXUWFJFHSA-N -1 3 379.456 4.543 50 0 GJAAHM COC(=O)N=c1s[n-]c(C)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000032797096 570818983 /nfs/dbraw/zinc/81/89/83/570818983.db2.gz 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COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(Br)cc1[O-] ZINC000015016784 570871768 /nfs/dbraw/zinc/87/17/68/570871768.db2.gz HHQUQSHWDJHBMY-VQHVLOKHSA-N -1 3 386.245 4.891 50 0 GJAAHM COc1cccc(N[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)c1 ZINC000012597494 570885438 /nfs/dbraw/zinc/88/54/38/570885438.db2.gz AUOZWLRMGMKFES-LLVKDONJSA-N -1 3 383.498 4.895 50 0 GJAAHM CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCCO3)c([O-])cc1OC ZINC000018097097 570950482 /nfs/dbraw/zinc/95/04/82/570950482.db2.gz JAZVZEZDLADSQO-UHFFFAOYSA-N -1 3 380.444 4.572 50 0 biogenic GJAAHM CCCN(CCC)Cc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000018120271 570950515 /nfs/dbraw/zinc/95/05/15/570950515.db2.gz MHVGRMCIBJXGPB-UHFFFAOYSA-N -1 3 379.548 4.817 50 0 GJAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)c(C)s1 ZINC000046056382 571016714 /nfs/dbraw/zinc/01/67/14/571016714.db2.gz BLHVEOXSFJNCLM-MRXNPFEDSA-N -1 3 399.903 4.821 50 0 GJAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)c(C)c1C ZINC000016780620 210197589 /nfs/dbraw/zinc/19/75/89/210197589.db2.gz NZUMFZBKXCHQBP-UHFFFAOYSA-N -1 3 398.322 4.574 50 0 GJAAHM Cc1c([O-])ccc2c(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cc(=O)oc12 ZINC000002130935 209347722 /nfs/dbraw/zinc/34/77/22/209347722.db2.gz LLCKNYVFVAMTNR-UHFFFAOYSA-N -1 3 389.190 4.887 50 0 biogenic GJAAHM O=C(Nc1ccccc1)c1c2c(sc1[N-]C(=O)C(F)(F)F)CCCCC2 ZINC000000837675 209270690 /nfs/dbraw/zinc/27/06/90/209270690.db2.gz PRBJMPPJVJEDLT-UHFFFAOYSA-N -1 3 382.407 4.770 50 0 GJAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1 ZINC000004312933 204038513 /nfs/dbraw/zinc/03/85/13/204038513.db2.gz GVYVJCZRZCFCBD-GOSISDBHSA-N -1 3 387.505 4.505 50 0 GJAAHM [O-]c1ccc(Br)cc1-c1nc2ncccn2c1Nc1ccccc1 ZINC000004734132 204070930 /nfs/dbraw/zinc/07/09/30/204070930.db2.gz JTGDKZREUIIMNX-UHFFFAOYSA-N -1 3 381.233 4.608 50 0 GJAAHM COc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)cc1O ZINC000004689504 204064744 /nfs/dbraw/zinc/06/47/44/204064744.db2.gz NEAVUHJEMWILNJ-WYMLVPIESA-N -1 3 385.423 4.525 50 0 GJAAHM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cc(Cl)ccc2[O-])[nH]n1 ZINC000005342294 204126989 /nfs/dbraw/zinc/12/69/89/204126989.db2.gz MVBYMEOBQMIYCN-UHFFFAOYSA-N -1 3 381.741 4.707 50 0 GJAAHM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cc(Cl)ccc2[O-])n[nH]1 ZINC000005342294 204126993 /nfs/dbraw/zinc/12/69/93/204126993.db2.gz MVBYMEOBQMIYCN-UHFFFAOYSA-N -1 3 381.741 4.707 50 0 GJAAHM CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C(CC)CC ZINC000005965519 204160031 /nfs/dbraw/zinc/16/00/31/204160031.db2.gz FHWNJEXKULOXKI-SFHVURJKSA-N -1 3 389.521 4.513 50 0 GJAAHM CCc1nnc([N-]C(=O)c2oc3ccccc3c2COc2ccccc2)s1 ZINC000006790221 204206421 /nfs/dbraw/zinc/20/64/21/204206421.db2.gz MONPYPXBJHMEIS-UHFFFAOYSA-N -1 3 379.441 4.678 50 0 GJAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccc(-c2ccccc2)cc1 ZINC000008189873 204265730 /nfs/dbraw/zinc/26/57/30/204265730.db2.gz IBJOJRKDIRUNCM-UHFFFAOYSA-N -1 3 392.509 4.931 50 0 GJAAHM COc1ccccc1CNCc1cn(-c2ccc(C(=O)[O-])s2)c2ccccc12 ZINC000009740966 204323352 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GJAAHM C[C@H](Sc1ccc2ccccc2c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007025828 204231088 /nfs/dbraw/zinc/23/10/88/204231088.db2.gz ZHXDLTDAIGNCIJ-AWEZNQCLSA-N -1 3 385.510 4.575 50 0 GJAAHM Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)c([O-])c1 ZINC000007783662 204251158 /nfs/dbraw/zinc/25/11/58/204251158.db2.gz FPDFVKYGMNILBX-UHFFFAOYSA-N -1 3 391.084 4.539 50 0 GJAAHM Cc1cc(NC(=O)COc2ccccc2F)cc(-c2nc3ccccc3o2)c1[O-] ZINC000009486509 204312265 /nfs/dbraw/zinc/31/22/65/204312265.db2.gz LKLSEEQNUSGWPR-UHFFFAOYSA-N -1 3 392.386 4.665 50 0 GJAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)c(C)s1 ZINC000046056947 205103346 /nfs/dbraw/zinc/10/33/46/205103346.db2.gz UBVMSSGGKNPDDQ-QGZVFWFLSA-N -1 3 393.512 4.785 50 0 GJAAHM [O-]c1ccc(CN2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)cc1Cl ZINC000055060980 205141380 /nfs/dbraw/zinc/14/13/80/205141380.db2.gz GJLAZQAEEUJCCI-JOCHJYFZSA-N -1 3 388.914 4.673 50 0 GJAAHM O=C(Nc1ccccc1[O-])c1csc(-c2cc(Br)cs2)n1 ZINC000059856825 205180074 /nfs/dbraw/zinc/18/00/74/205180074.db2.gz HYBIEAPREPRUFM-UHFFFAOYSA-N -1 3 381.276 4.592 50 0 GJAAHM O=S(=O)([N-]C1CCCCCCC1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004030 205205456 /nfs/dbraw/zinc/20/54/56/205205456.db2.gz ZVDSBHJNRSSGNK-UHFFFAOYSA-N -1 3 380.535 4.672 50 0 GJAAHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000238950425 206125380 /nfs/dbraw/zinc/12/53/80/206125380.db2.gz XZKLTWVSAPWFCI-UHFFFAOYSA-N -1 3 393.830 5.118 50 0 GJAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 ZINC000004478284 206215402 /nfs/dbraw/zinc/21/54/02/206215402.db2.gz PWGGGQLSUQVPIX-GOSISDBHSA-N -1 3 389.402 4.675 50 0 GJAAHM CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4[O-])cc3)c2O1 ZINC000007454137 211586913 /nfs/dbraw/zinc/58/69/13/211586913.db2.gz ADQLNERLCJWWGV-UHFFFAOYSA-N -1 3 389.451 4.937 50 0 GJAAHM COc1ccc([C@H]2CC([O-])=CC(=O)[C@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100917856 211392628 /nfs/dbraw/zinc/39/26/28/211392628.db2.gz APLRHUIRZISVRH-PBHICJAKSA-N -1 3 397.780 4.562 50 0 GJAAHM COc1ccc([C@H]2CC(=O)C=C([O-])[C@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100917856 211392623 /nfs/dbraw/zinc/39/26/23/211392623.db2.gz APLRHUIRZISVRH-PBHICJAKSA-N -1 3 397.780 4.562 50 0 GJAAHM CC(C)c1sc(Br)nc1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000095480767 211249226 /nfs/dbraw/zinc/24/92/26/211249226.db2.gz JHGANFCDHWDUTO-UHFFFAOYSA-N -1 3 379.201 4.699 50 0 GJAAHM Cc1nnc(-c2cccc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])c2)o1 ZINC000078947191 211150263 /nfs/dbraw/zinc/15/02/63/211150263.db2.gz NHQIXZRBBBTBFX-UHFFFAOYSA-N -1 3 385.423 4.594 50 0 GJAAHM O=C(c1cccc([O-])c1)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071708060 211051160 /nfs/dbraw/zinc/05/11/60/211051160.db2.gz VPCLLDAYNBVMRP-INIZCTEOSA-N -1 3 377.406 4.896 50 0 GJAAHM Cc1c(CNCc2ccc(F)cc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000020415586 210333872 /nfs/dbraw/zinc/33/38/72/210333872.db2.gz VOHLYLUBIWXNDJ-UHFFFAOYSA-N -1 3 380.463 4.589 50 0 GJAAHM Cc1ccc2nc(NC(=O)c3cc(=O)c(OCc4ccccc4)c[n-]3)sc2c1 ZINC000012168493 221162109 /nfs/dbraw/zinc/16/21/09/221162109.db2.gz NZMYZXNFJXHQGM-UHFFFAOYSA-N -1 3 391.452 4.537 50 0 GJAAHM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000001033514 570236214 /nfs/dbraw/zinc/23/62/14/570236214.db2.gz NSDIBAFLGBXFRX-UHFFFAOYSA-N -1 3 385.316 4.785 50 0 GJAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000001123411 570243889 /nfs/dbraw/zinc/24/38/89/570243889.db2.gz CAGSRXDAWIPFRA-IBGZPJMESA-N -1 3 376.378 4.607 50 0 GJAAHM COc1cccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000001210418 570258226 /nfs/dbraw/zinc/25/82/26/570258226.db2.gz POTSFORCSXBEJH-UHFFFAOYSA-N -1 3 376.437 4.930 50 0 GJAAHM CCOc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccco2)cc1 ZINC000005035528 570402343 /nfs/dbraw/zinc/40/23/43/570402343.db2.gz MINCVGMTTQJVSV-UHFFFAOYSA-N -1 3 390.395 4.929 50 0 GJAAHM CC(C)Oc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc1 ZINC000005690079 570451962 /nfs/dbraw/zinc/45/19/62/570451962.db2.gz BGJNEQDIGHFPJJ-SFHVURJKSA-N -1 3 387.505 4.915 50 0 GJAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000028906241 570466220 /nfs/dbraw/zinc/46/62/20/570466220.db2.gz FLIJOCZIHVXATA-UHFFFAOYSA-N -1 3 389.499 4.614 50 0 GJAAHM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036104702 570541253 /nfs/dbraw/zinc/54/12/53/570541253.db2.gz SRUCLAWPDCBJCA-BLLLJJGKSA-N -1 3 390.940 4.534 50 0 GJAAHM [O-]c1cc(O)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(Br)cc1 ZINC000005343349 570558122 /nfs/dbraw/zinc/55/81/22/570558122.db2.gz QBWDBJUXCJVAII-UHFFFAOYSA-N -1 3 399.166 4.936 50 0 GJAAHM Cc1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)c(C)c1 ZINC000007006589 570738548 /nfs/dbraw/zinc/73/85/48/570738548.db2.gz YWUGZJQYEXUZRV-UHFFFAOYSA-N -1 3 388.493 4.768 50 0 GJAAHM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(C)cc1[O-] ZINC000012995336 570739363 /nfs/dbraw/zinc/73/93/63/570739363.db2.gz OZXLMVRPYILXEX-UHFFFAOYSA-N -1 3 388.876 4.950 50 0 GJAAHM O=C1C[C@@H]([C@H]2CC=CCC2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524731881 570766981 /nfs/dbraw/zinc/76/69/81/570766981.db2.gz NPFREZSWVDKTAI-HOCLYGCPSA-N -1 3 388.419 4.915 50 0 biogenic GJAAHM COc1ccc([C@H]2[N-]c3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1 ZINC000102745360 570860759 /nfs/dbraw/zinc/86/07/59/570860759.db2.gz UODLIRVHFIKOSS-KPZWWZAWSA-N -1 3 394.456 4.769 50 0 GJAAHM COc1ccc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)cc1 ZINC000102745357 570860985 /nfs/dbraw/zinc/86/09/85/570860985.db2.gz UODLIRVHFIKOSS-XIKOKIGWSA-N -1 3 394.456 4.769 50 0 GJAAHM CCO[C@H](C)c1nc(C(=O)[N-]c2cc(Br)c(F)cc2F)cs1 ZINC000170604667 570862126 /nfs/dbraw/zinc/86/21/26/570862126.db2.gz BQBQMVBGORQDFE-SSDOTTSWSA-N -1 3 391.237 4.534 50 0 GJAAHM O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3nonc3[N-][C@H](c3ccccc3)C12 ZINC000102839363 570866880 /nfs/dbraw/zinc/86/68/80/570866880.db2.gz OHVVHIFIVBDWOB-AUUYWEPGSA-N -1 3 376.391 4.838 50 0 GJAAHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000016101651 570913667 /nfs/dbraw/zinc/91/36/67/570913667.db2.gz HLLRLYZRAJDZQS-UHFFFAOYSA-N -1 3 381.078 4.557 50 0 GJAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cc1C ZINC000033287244 570955441 /nfs/dbraw/zinc/95/54/41/570955441.db2.gz ZZCWOGDZTIIUPZ-UHFFFAOYSA-N -1 3 391.540 4.650 50 0 GJAAHM C[C@@H](Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)c1ccccc1 ZINC000011363971 570986180 /nfs/dbraw/zinc/98/61/80/570986180.db2.gz MGIHNNVOMBQUEQ-GFCCVEGCSA-N -1 3 382.876 4.616 50 0 GJAAHM O=S(=O)([N-][C@@H](c1cccs1)c1ccccc1)c1ccc(Cl)cc1F ZINC000007702206 571018548 /nfs/dbraw/zinc/01/85/48/571018548.db2.gz IKDZKSPPGLCCHY-QGZVFWFLSA-N -1 3 381.881 4.609 50 0 GJAAHM COc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(C)cc4s3)no2)cc1OC ZINC000046086656 571022886 /nfs/dbraw/zinc/02/28/86/571022886.db2.gz NTPUJGWOZZOQPC-UHFFFAOYSA-N -1 3 395.440 4.529 50 0 GJAAHM Cc1ccc(CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)cc1 ZINC000002718019 209380104 /nfs/dbraw/zinc/38/01/04/209380104.db2.gz DRYLHYYEGAZWGZ-UHFFFAOYSA-N -1 3 376.485 4.739 50 0 GJAAHM Cc1cccc(CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000002717875 209379926 /nfs/dbraw/zinc/37/99/26/209379926.db2.gz PQGSXMDTVVFBNR-UHFFFAOYSA-N -1 3 382.876 4.775 50 0 GJAAHM Cc1ccccc1C(=O)NC([N-]c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000001036955 209291440 /nfs/dbraw/zinc/29/14/40/209291440.db2.gz USNBABGVHZBHAN-UHFFFAOYSA-N -1 3 376.300 4.658 50 0 GJAAHM O=C([N-]c1nnc(SCc2c(Cl)cccc2Cl)s1)c1ccco1 ZINC000003362916 204001101 /nfs/dbraw/zinc/00/11/01/204001101.db2.gz IYXKYYVWEJDSTI-UHFFFAOYSA-N -1 3 386.285 4.983 50 0 GJAAHM Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCc2ccccc2C)cc1Cl ZINC000005156376 204114949 /nfs/dbraw/zinc/11/49/49/204114949.db2.gz LSUORZIZLSIEDO-UHFFFAOYSA-N -1 3 396.903 4.671 50 0 GJAAHM Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCc2ccccc2C)cc1Cl ZINC000005156376 204114952 /nfs/dbraw/zinc/11/49/52/204114952.db2.gz LSUORZIZLSIEDO-UHFFFAOYSA-N -1 3 396.903 4.671 50 0 GJAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000005763613 204150207 /nfs/dbraw/zinc/15/02/07/204150207.db2.gz XWWMJVBTZZJPPZ-KRWDZBQOSA-N -1 3 391.924 4.912 50 0 GJAAHM CN(Cc1cccc(Cl)c1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000007285789 204238189 /nfs/dbraw/zinc/23/81/89/204238189.db2.gz UIQXRKKIQNDBMG-UHFFFAOYSA-N -1 3 395.915 4.937 50 0 GJAAHM Cc1ccc(-n2ncc3c2nc(SCc2ccccc2Cl)[n-]c3=O)cc1 ZINC000011363974 204345712 /nfs/dbraw/zinc/34/57/12/204345712.db2.gz ZUZJOQUEWXMBTR-UHFFFAOYSA-N -1 3 382.876 4.775 50 0 GJAAHM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1ccccc1Cl)CC(=O)N2 ZINC000046056750 205103138 /nfs/dbraw/zinc/10/31/38/205103138.db2.gz COABNLSAXZRCKG-QGZVFWFLSA-N -1 3 393.874 4.760 50 0 GJAAHM Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C([O-])c1ccccc1Cl)CC(=O)N2 ZINC000046056637 205103528 /nfs/dbraw/zinc/10/35/28/205103528.db2.gz OEOPBGJZBCNSJF-KRWDZBQOSA-N -1 3 393.874 4.760 50 0 GJAAHM O=C(c1cccc([O-])c1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071763263 205296249 /nfs/dbraw/zinc/29/62/49/205296249.db2.gz DFKZXERZWGHROQ-OAHLLOKOSA-N -1 3 377.406 4.896 50 0 GJAAHM [O-]c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)cc1-c1ccno1 ZINC000072153475 205312688 /nfs/dbraw/zinc/31/26/88/205312688.db2.gz CIYAPFZNIWKPSI-UHFFFAOYSA-N -1 3 383.411 4.598 50 0 GJAAHM Cc1ccc(CSc2nnc([N-]C(=O)c3ccc(F)cc3F)s2)cc1 ZINC000006237445 211574998 /nfs/dbraw/zinc/57/49/98/211574998.db2.gz UNDUSJPAGHBYNL-UHFFFAOYSA-N -1 3 377.441 4.669 50 0 GJAAHM Cc1sc([N-]C(=O)c2ncoc2[C@H]2CCCO2)nc1-c1ccc2c(c1)CCC2 ZINC000095962516 211289318 /nfs/dbraw/zinc/28/93/18/211289318.db2.gz FJAXRWWBUNCNAY-MRXNPFEDSA-N -1 3 395.484 4.699 50 0 GJAAHM COc1ccc(OC)c([C@H]2CC(c3ccccc3[O-])=N[C@@H](c3ccccc3)N2)c1 ZINC000080325066 211157895 /nfs/dbraw/zinc/15/78/95/211157895.db2.gz VFFVWMVIOSXMPN-ZJSXRUAMSA-N -1 3 388.467 4.632 50 0 GJAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000071280878 211043123 /nfs/dbraw/zinc/04/31/23/211043123.db2.gz VWIAOCAHANRGAH-NSHDSACASA-N -1 3 389.814 4.933 50 0 GJAAHM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c2)on1 ZINC000020580308 210348408 /nfs/dbraw/zinc/34/84/08/210348408.db2.gz FKQCOHIWLSIUDM-UHFFFAOYSA-N -1 3 380.828 4.552 50 0 GJAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)c(C)c1 ZINC000000629476 570211743 /nfs/dbraw/zinc/21/17/43/570211743.db2.gz ZUIQMJCRKYLAAW-UHFFFAOYSA-N -1 3 391.496 4.727 50 0 aggregator GJAAHM Cc1c(CNCc2cccs2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777041 570241664 /nfs/dbraw/zinc/24/16/64/570241664.db2.gz XPVBSUAUIIUNDS-UHFFFAOYSA-N -1 3 388.920 4.856 50 0 GJAAHM CCCc1cc(-c2onc(C)c2-c2ccc3c(c2)OCCO3)c([O-])cc1OC ZINC000001507738 570252822 /nfs/dbraw/zinc/25/28/22/570252822.db2.gz TZMABIVWHXUBKR-UHFFFAOYSA-N -1 3 381.428 4.755 50 0 biogenic GJAAHM Cc1ccc(C[N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)o1 ZINC000033297802 570405258 /nfs/dbraw/zinc/40/52/58/570405258.db2.gz BZCBNRPPXDRMOZ-UHFFFAOYSA-N -1 3 396.559 4.549 50 0 GJAAHM Cc1c(CNCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146337 570426815 /nfs/dbraw/zinc/42/68/15/570426815.db2.gz OODFWBKYLPOACY-UHFFFAOYSA-N -1 3 382.891 4.795 50 0 GJAAHM O=C(Nc1ccc2cc[nH]c2c1)c1cc(=O)c(OCc2ccc(Cl)cc2)c[n-]1 ZINC000061719839 570502519 /nfs/dbraw/zinc/50/25/19/570502519.db2.gz XMSIQXYMNOIIRJ-UHFFFAOYSA-N -1 3 393.830 4.753 50 0 GJAAHM O=C(Cc1ccc(F)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000005268279 570538297 /nfs/dbraw/zinc/53/82/97/570538297.db2.gz MFPXXHPSDIFTIQ-UHFFFAOYSA-N -1 3 378.428 4.989 50 0 GJAAHM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(Br)c1 ZINC000001218569 570714080 /nfs/dbraw/zinc/71/40/80/570714080.db2.gz MTUFRPKXWUPSRO-UHFFFAOYSA-N -1 3 395.105 4.865 50 0 GJAAHM CC(C)c1cccc2c(=O)c(C(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)c[n-]c21 ZINC000524732178 570766738 /nfs/dbraw/zinc/76/67/38/570766738.db2.gz BUSDSPVGPIBYJV-NRFANRHFSA-N -1 3 399.494 4.940 50 0 biogenic GJAAHM CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H](C)CCC)cc1 ZINC000005965630 570810221 /nfs/dbraw/zinc/81/02/21/570810221.db2.gz MGMDGDIJTYZASL-ACJLOTCBSA-N -1 3 389.521 4.751 50 0 GJAAHM Cc1ccccc1CN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000007487575 570850716 /nfs/dbraw/zinc/85/07/16/570850716.db2.gz FJPMBXQVDWDBET-UHFFFAOYSA-N -1 3 375.497 4.592 50 0 GJAAHM CSc1nc2ccc([N-]S(=O)(=O)Cc3cccc(Cl)c3)cc2s1 ZINC000033298826 570962441 /nfs/dbraw/zinc/96/24/41/570962441.db2.gz QKFFFHBVGLYYBS-UHFFFAOYSA-N -1 3 384.935 4.614 50 0 GJAAHM O=C([N-]c1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ncoc1[C@@H]1CCCO1 ZINC000084525567 571021175 /nfs/dbraw/zinc/02/11/75/571021175.db2.gz AVAYDMWVNSRTKL-HOCLYGCPSA-N -1 3 395.484 4.507 50 0 GJAAHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cccc2cccnc21 ZINC000000705485 203849176 /nfs/dbraw/zinc/84/91/76/203849176.db2.gz BGSLYCUFUUYMEC-UHFFFAOYSA-N -1 3 386.782 4.708 50 0 GJAAHM O=C([O-])c1c(CNCc2ccccc2)c2ccccc2n1Cc1cccc(F)c1 ZINC000006794113 204206901 /nfs/dbraw/zinc/20/69/01/204206901.db2.gz OFQWZJKBGLMPQQ-UHFFFAOYSA-N -1 3 388.442 4.817 50 0 GJAAHM C[C@H](NC(=O)CSc1n[n-]c(-c2cccs2)n1)c1cccc2ccccc21 ZINC000008528171 204279475 /nfs/dbraw/zinc/27/94/75/204279475.db2.gz PXNOKTCCHCQJJV-ZDUSSCGKSA-N -1 3 394.525 4.656 50 0 GJAAHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)c1nc2ccccc2c(=O)[nH]1 ZINC000009544913 204315134 /nfs/dbraw/zinc/31/51/34/204315134.db2.gz GEIBTVPCRGHGAS-JTQLQIEISA-N -1 3 399.476 4.511 50 0 GJAAHM O=c1[nH]c(-c2ccc([O-])cc2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 ZINC000063837577 205187279 /nfs/dbraw/zinc/18/72/79/205187279.db2.gz FRIWHAMRDQRIFQ-UHFFFAOYSA-N -1 3 382.341 4.982 50 0 GJAAHM COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)c(OC)c1 ZINC000071286931 211044388 /nfs/dbraw/zinc/04/43/88/211044388.db2.gz BJQDEHIZSHTNJO-GOSISDBHSA-N -1 3 387.505 4.997 50 0 GJAAHM COc1ccc(-c2csc3[n-]c(CNc4ccccc4C)nc(=O)c23)cc1 ZINC000019926593 210307709 /nfs/dbraw/zinc/30/77/09/210307709.db2.gz WDWBOFUUSPVDME-UHFFFAOYSA-N -1 3 377.469 4.581 50 0 GJAAHM Cc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)c([O-])c1 ZINC000010372406 221101235 /nfs/dbraw/zinc/10/12/35/221101235.db2.gz XVBUUDNHGBMGKI-UHFFFAOYSA-N -1 3 385.423 4.978 50 0 GJAAHM Nc1cccc(Cl)c1Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000001036308 570236975 /nfs/dbraw/zinc/23/69/75/570236975.db2.gz YKYFJFVGELLDRX-UHFFFAOYSA-N -1 3 392.839 4.654 50 0 GJAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001128526 570244962 /nfs/dbraw/zinc/24/49/62/570244962.db2.gz XJLRNMXHWGJGHQ-UHFFFAOYSA-N -1 3 379.787 4.558 50 0 GJAAHM Cc1c(C)n(-c2cccc(C)c2C)c2ncn3nc(-c4ccccc4[O-])nc3c12 ZINC000021801731 570296776 /nfs/dbraw/zinc/29/67/76/570296776.db2.gz UKHXXSKCNGFQIT-UHFFFAOYSA-N -1 3 383.455 4.674 50 0 GJAAHM C[C@H](NC(=O)c1sc(=S)n2c3ccsc3c(=O)[n-]c12)c1ccccc1 ZINC000575614889 570353033 /nfs/dbraw/zinc/35/30/33/570353033.db2.gz BJUXKOVORACETR-VIFPVBQESA-N -1 3 387.511 4.537 50 0 GJAAHM Cn1c2ccccc2c2cc([C@H]3N[C@@H](C(=O)[O-])Cc4c5ccccc5[nH]c43)ccc21 ZINC000001787672 570424618 /nfs/dbraw/zinc/42/46/18/570424618.db2.gz NGQNWWAYSMYTDE-NFBKMPQASA-N -1 3 395.462 4.501 50 0 biogenic GJAAHM O=C([N-]c1cc(-c2ccccc2)ns1)c1c(F)ccc(OC(F)F)c1F ZINC000152094508 570626999 /nfs/dbraw/zinc/62/69/99/570626999.db2.gz BXVRHQFWKIVNRP-UHFFFAOYSA-N -1 3 382.338 4.942 50 0 GJAAHM CCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H](C)CCC)cc1 ZINC000005965638 570810080 /nfs/dbraw/zinc/81/00/80/570810080.db2.gz MGMDGDIJTYZASL-FZKQIMNGSA-N -1 3 389.521 4.751 50 0 GJAAHM CN(Cc1cccc(Cl)c1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000007487772 570851026 /nfs/dbraw/zinc/85/10/26/570851026.db2.gz HZRUZZQSVCWHMA-UHFFFAOYSA-N -1 3 395.915 4.937 50 0 GJAAHM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4[N-][C@H]3c3cccs3)C2)cc1 ZINC000102751891 570861851 /nfs/dbraw/zinc/86/18/51/570861851.db2.gz JHSVPQOMIMATBU-SGTLLEGYSA-N -1 3 394.456 4.769 50 0 GJAAHM COc1cccc(N[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)c1 ZINC000012597491 570885106 /nfs/dbraw/zinc/88/51/06/570885106.db2.gz AUOZWLRMGMKFES-NSHDSACASA-N -1 3 383.498 4.895 50 0 GJAAHM O=C1c2ccccc2N[C@H](c2ccc([O-])c(Br)c2)N1Cc1ccco1 ZINC000015248789 570886250 /nfs/dbraw/zinc/88/62/50/570886250.db2.gz XYJFZNJADDUGJS-SFHVURJKSA-N -1 3 399.244 4.514 50 0 GJAAHM O=C(CSc1nc(-c2ccccc2)nc2ccccc21)Nc1ccccc1[O-] ZINC000004130339 570937083 /nfs/dbraw/zinc/93/70/83/570937083.db2.gz XIIZEPYIQWSQNA-UHFFFAOYSA-N -1 3 387.464 4.733 50 0 GJAAHM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2ccc(Cl)cc2)cc1 ZINC000046056459 571016691 /nfs/dbraw/zinc/01/66/91/571016691.db2.gz VGDJQFZSJABBFO-SFHVURJKSA-N -1 3 393.874 4.705 50 0 GJAAHM CCOc1cc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1[O-] ZINC000001152044 212223939 /nfs/dbraw/zinc/22/39/39/212223939.db2.gz DREJBWRWPMIOLB-CYBMUJFWSA-N -1 3 390.277 4.644 50 0 GJAAHM O=C1[N-]C(=Cc2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 ZINC000000660468 206313541 /nfs/dbraw/zinc/31/35/41/206313541.db2.gz REAWVTJTRCOUPW-QGOAFFKASA-N -1 3 397.356 4.593 50 0 GJAAHM Cc1sc([N-]C(=O)C(F)(F)F)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000001002087 206340939 /nfs/dbraw/zinc/34/09/39/206340939.db2.gz HPWAPYKRGKUIBH-UHFFFAOYSA-N -1 3 384.423 4.621 50 0 GJAAHM O=C([N-]C(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F ZINC000001586252 206387658 /nfs/dbraw/zinc/38/76/58/206387658.db2.gz CJDWRQLODFKPEL-UHFFFAOYSA-N -1 3 381.112 4.512 50 0 in-vitro GJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1C ZINC000001166498 206362060 /nfs/dbraw/zinc/36/20/60/206362060.db2.gz PKDVBYHPQWTKGZ-UHFFFAOYSA-N -1 3 394.496 4.665 50 0 GJAAHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c3cccc1c23 ZINC000004134568 206502736 /nfs/dbraw/zinc/50/27/36/206502736.db2.gz ISJCFPXBLGEWLO-UHFFFAOYSA-N -1 3 393.251 4.513 50 0 GJAAHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000008254652 206743458 /nfs/dbraw/zinc/74/34/58/206743458.db2.gz FVUGMNQVBORCBT-UHFFFAOYSA-N -1 3 391.467 4.652 50 0 GJAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000014255191 207019211 /nfs/dbraw/zinc/01/92/11/207019211.db2.gz KIVCTABOXQIZHX-UHFFFAOYSA-N -1 3 386.286 4.687 50 0 GJAAHM COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1[O-] ZINC000015010430 207040411 /nfs/dbraw/zinc/04/04/11/207040411.db2.gz JZKBEPJZJDYGED-ZSOIEALJSA-N -1 3 396.251 4.949 50 0 GJAAHM Cc1c(C)n(-c2ccc(C)c(C)c2)c2ncn3nc(-c4ccccc4[O-])nc3c12 ZINC000021801763 207238113 /nfs/dbraw/zinc/23/81/13/207238113.db2.gz NWUOOYUEJJRIMS-UHFFFAOYSA-N -1 3 383.455 4.674 50 0 GJAAHM CN(Cc1ccc(F)cc1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000022024817 207244341 /nfs/dbraw/zinc/24/43/41/207244341.db2.gz IYFIVEKJGKGGOL-UHFFFAOYSA-N -1 3 397.450 4.562 50 0 GJAAHM C[C@H]1Cc2ccccc2N1Cc1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000025499590 207304128 /nfs/dbraw/zinc/30/41/28/207304128.db2.gz JMWZNDZGVDIRNP-LBPRGKRZSA-N -1 3 379.510 4.664 50 0 GJAAHM CCOc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(OC)cc4s3)no2)cc1 ZINC000027580013 207327813 /nfs/dbraw/zinc/32/78/13/207327813.db2.gz SDFKSEWENGJDNH-UHFFFAOYSA-N -1 3 395.440 4.611 50 0 GJAAHM Cc1sc(-c2noc(C3CC3)n2)cc1[N-]C(=O)c1ccc(Br)o1 ZINC000085650202 208100509 /nfs/dbraw/zinc/10/05/09/208100509.db2.gz OLIRKRZAXPZCSA-UHFFFAOYSA-N -1 3 394.250 4.592 50 0 GJAAHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(Br)c(F)c1 ZINC000095067976 208151688 /nfs/dbraw/zinc/15/16/88/208151688.db2.gz RZVMFOVSWZNBAI-UHFFFAOYSA-N -1 3 399.068 4.696 50 0 GJAAHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3nnc(-c4ccc(C)cc4)o3)n[n-]2)s1 ZINC000095948753 208241712 /nfs/dbraw/zinc/24/17/12/208241712.db2.gz KJEPRPNJTQPXIS-CYBMUJFWSA-N -1 3 394.456 4.723 50 0 GJAAHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3nnc(-c4ccc(C)cc4)o3)[n-]n2)s1 ZINC000095948753 208241718 /nfs/dbraw/zinc/24/17/18/208241718.db2.gz KJEPRPNJTQPXIS-CYBMUJFWSA-N -1 3 394.456 4.723 50 0 GJAAHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H]1CCCc2ccccc21 ZINC000007674342 221005660 /nfs/dbraw/zinc/00/56/60/221005660.db2.gz HPXYNNCYQVDCGY-KRWDZBQOSA-N -1 3 391.496 4.754 50 0 GJAAHM O=c1nc(CN2CCc3ccccc32)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000007503662 221000403 /nfs/dbraw/zinc/00/04/03/221000403.db2.gz YSIBLRGEUNAUHT-UHFFFAOYSA-N -1 3 393.899 4.868 50 0 GJAAHM O=C([N-]c1nc(SCc2ccccc2)ns1)c1cnc(Cl)c(Cl)c1 ZINC000009315558 221076839 /nfs/dbraw/zinc/07/68/39/221076839.db2.gz QHWWDEZRSZEVKJ-UHFFFAOYSA-N -1 3 397.312 4.785 50 0 GJAAHM CC[C@@H](C)N(C(=O)CSc1nnc([N-]c2ccccc2F)s1)[C@H](C)CC ZINC000010077695 221097018 /nfs/dbraw/zinc/09/70/18/221097018.db2.gz BQQLHVPGYOYEID-CHWSQXEVSA-N -1 3 396.557 4.939 50 0 GJAAHM Cc1ccc(Sc2ccc(/C=C3\[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000012629014 221215538 /nfs/dbraw/zinc/21/55/38/221215538.db2.gz WBLBIROGJYQCRL-AQTBWJFISA-N -1 3 376.437 4.837 50 0 GJAAHM Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c([O-])c1 ZINC000012775664 221230012 /nfs/dbraw/zinc/23/00/12/221230012.db2.gz RDDYERBAMKBYDG-UHFFFAOYSA-N -1 3 388.876 4.571 50 0 GJAAHM Cc1ccccc1[C@@H](C)N[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000012945582 221249231 /nfs/dbraw/zinc/24/92/31/221249231.db2.gz AJXBUIBBQLZNBW-KGLIPLIRSA-N -1 3 379.485 4.965 50 0 GJAAHM [O-]C(=C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000014187870 221302529 /nfs/dbraw/zinc/30/25/29/221302529.db2.gz NUTRWMXDHCMZGE-INIZCTEOSA-N -1 3 385.794 4.973 50 0 GJAAHM C[C@H]1c2ccsc2CCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000023908962 221605833 /nfs/dbraw/zinc/60/58/33/221605833.db2.gz QNQUKUJZDGHTGO-ZDUSSCGKSA-N -1 3 393.537 4.832 50 0 GJAAHM CCCc1cc(-c2nc(C)c(C(=O)[N-]c3nnc(C(C)C)s3)s2)ccn1 ZINC000071280273 222178616 /nfs/dbraw/zinc/17/86/16/222178616.db2.gz MYENDYUFHOPDNR-UHFFFAOYSA-N -1 3 387.534 4.693 50 0 GJAAHM O=C(c1ccccc1[O-])N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071753087 222191388 /nfs/dbraw/zinc/19/13/88/222191388.db2.gz DQKRVGDUXKBSOX-INIZCTEOSA-N -1 3 377.406 4.896 50 0 GJAAHM Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3Cl)c(C)s2)c1C ZINC000096323572 222413617 /nfs/dbraw/zinc/41/36/17/222413617.db2.gz DQZLAMZNLZQLKJ-UHFFFAOYSA-N -1 3 382.894 4.783 50 0 GJAAHM CCOC(=O)C(=C([O-])CSc1ccc2ccccc2c1)c1nc(C)cs1 ZINC000103034689 222489764 /nfs/dbraw/zinc/48/97/64/222489764.db2.gz IFQAWWJLIPAPOT-SFHVURJKSA-N -1 3 385.510 4.613 50 0 GJAAHM Cc1cc2c(c([C@]([O-])(c3nc4ccccc4s3)C(F)(F)F)c1)NCCC2 ZINC000048252163 570226811 /nfs/dbraw/zinc/22/68/11/570226811.db2.gz BBNITETYPOOAJO-SFHVURJKSA-N -1 3 378.419 4.761 50 0 GJAAHM COc1ccc(-c2csc3[n-]c(CNc4ccc(C)cc4)nc(=O)c23)cc1 ZINC000019926589 570229896 /nfs/dbraw/zinc/22/98/96/570229896.db2.gz FLJNDKFRMHZTGG-UHFFFAOYSA-N -1 3 377.469 4.581 50 0 GJAAHM 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/nfs/dbraw/zinc/09/25/38/222092538.db2.gz XSWCZHUMBLQLFM-UHFFFAOYSA-N -1 3 376.865 4.721 50 0 GJAAHM COc1ccc(C)cc1-c1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000095963576 222365522 /nfs/dbraw/zinc/36/55/22/222365522.db2.gz HIJFJEMPASRQJY-UHFFFAOYSA-N -1 3 396.365 4.936 50 0 GJAAHM CCOc1cc(/C=C2/C(=O)Nc3ccc(Br)cc32)cc(Cl)c1[O-] ZINC000000684526 570291324 /nfs/dbraw/zinc/29/13/24/570291324.db2.gz ZWGWORVROPXLRJ-LFYBBSHMSA-N -1 3 394.652 4.700 50 0 GJAAHM Cc1ccccc1[C@@H](C)N[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000012945577 570316927 /nfs/dbraw/zinc/31/69/27/570316927.db2.gz AJXBUIBBQLZNBW-ZIAGYGMSSA-N -1 3 379.485 4.965 50 0 GJAAHM O=S(=O)([N-]C1c2ccccc2Oc2ccccc21)c1ccc(Cl)s1 ZINC000004788932 570405934 /nfs/dbraw/zinc/40/59/34/570405934.db2.gz CDAQGUXGMDECFV-UHFFFAOYSA-N -1 3 377.874 4.575 50 0 GJAAHM Cn1c2ccccc2c2cc([C@H]3N[C@H](C(=O)[O-])Cc4c5ccccc5[nH]c43)ccc21 ZINC000001787665 570424674 /nfs/dbraw/zinc/42/46/74/570424674.db2.gz NGQNWWAYSMYTDE-NZQKXSOJSA-N -1 3 395.462 4.501 50 0 biogenic GJAAHM Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCc2ccccc2Cl)cc1C ZINC000005156382 570434378 /nfs/dbraw/zinc/43/43/78/570434378.db2.gz FWJMQGNFPPCIDU-UHFFFAOYSA-N -1 3 396.903 4.671 50 0 GJAAHM Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCc2ccccc2Cl)cc1C ZINC000005156382 570434381 /nfs/dbraw/zinc/43/43/81/570434381.db2.gz FWJMQGNFPPCIDU-UHFFFAOYSA-N -1 3 396.903 4.671 50 0 GJAAHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000005344186 570434648 /nfs/dbraw/zinc/43/46/48/570434648.db2.gz VUHFEDUNPSHGPV-UHFFFAOYSA-N -1 3 381.078 4.557 50 0 GJAAHM O=C([N-]c1nnc(C2CC2)s1)c1sc(-n2cccc2)nc1-c1ccccc1 ZINC000061719500 570502197 /nfs/dbraw/zinc/50/21/97/570502197.db2.gz QUKIPHLQBDOGRQ-UHFFFAOYSA-N -1 3 393.497 4.582 50 0 GJAAHM Cc1ccc([N-]C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003087137 570502710 /nfs/dbraw/zinc/50/27/10/570502710.db2.gz CWKULNNVTMTZPO-UHFFFAOYSA-N -1 3 376.300 4.658 50 0 GJAAHM C[C@@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006680377 570530539 /nfs/dbraw/zinc/53/05/39/570530539.db2.gz SSDTUJFEYDHVQN-MRVPVSSYSA-N -1 3 399.328 4.959 50 0 GJAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccccc3c2C)cc1 ZINC000011913980 570592391 /nfs/dbraw/zinc/59/23/91/570592391.db2.gz YJBHEBAKKBPZPQ-UHFFFAOYSA-N -1 3 377.400 4.832 50 0 GJAAHM Cc1c2ccc(Br)cc2oc1C(=O)[N-]c1nonc1-c1ccccc1 ZINC000005484108 570612561 /nfs/dbraw/zinc/61/25/61/570612561.db2.gz VCUVOXLGXNLMKB-UHFFFAOYSA-N -1 3 398.216 4.806 50 0 GJAAHM CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5[O-])nc4c23)C1 ZINC000005533724 570627798 /nfs/dbraw/zinc/62/77/98/570627798.db2.gz GNTXSKDHPVCCEV-GFCCVEGCSA-N -1 3 378.501 4.863 50 0 GJAAHM Cc1sc2[n-]c([C@@H](C)Oc3ccc(Br)cc3F)nc(=O)c2c1C ZINC000005173714 570659877 /nfs/dbraw/zinc/65/98/77/570659877.db2.gz WKLRSVLQCQYCHC-MRVPVSSYSA-N -1 3 397.269 4.643 50 0 GJAAHM CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5[O-])nc4c23)C1 ZINC000004646258 570778171 /nfs/dbraw/zinc/77/81/71/570778171.db2.gz GNTXSKDHPVCCEV-LBPRGKRZSA-N -1 3 378.501 4.863 50 0 GJAAHM O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1cc(-c2ccco2)[n-]n1 ZINC000032779945 570808233 /nfs/dbraw/zinc/80/82/33/570808233.db2.gz ODGVMCSPJJVGEC-UHFFFAOYSA-N -1 3 375.413 4.527 50 0 GJAAHM O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1cc(-c2ccco2)n[n-]1 ZINC000032779945 570808235 /nfs/dbraw/zinc/80/82/35/570808235.db2.gz ODGVMCSPJJVGEC-UHFFFAOYSA-N -1 3 375.413 4.527 50 0 GJAAHM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4[N-][C@H]3c3ccccc3)C2)cc1 ZINC000102736699 570859500 /nfs/dbraw/zinc/85/95/00/570859500.db2.gz XXKBAGGTVZPQQX-YWZLYKJASA-N -1 3 388.427 4.707 50 0 GJAAHM COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(Cl)c1[O-] ZINC000004571678 570899191 /nfs/dbraw/zinc/89/91/91/570899191.db2.gz CVPDIKIIJDGDON-VPTHRUTESA-N -1 3 378.881 4.669 50 0 GJAAHM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2ccc(Cl)cc2)cc1 ZINC000046056456 571016792 /nfs/dbraw/zinc/01/67/92/571016792.db2.gz VGDJQFZSJABBFO-GOSISDBHSA-N -1 3 393.874 4.705 50 0 GJAAHM C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[n-]1)N(C)Cc1cccc(F)c1 ZINC000012782698 571035797 /nfs/dbraw/zinc/03/57/97/571035797.db2.gz MUKUOHUQMGVOSR-GFCCVEGCSA-N -1 3 383.448 4.577 50 0 GJAAHM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nc(=S)[n-]1 ZINC000001622554 212250654 /nfs/dbraw/zinc/25/06/54/212250654.db2.gz UZZSOLKMTBMUKC-UHFFFAOYSA-N -1 3 375.375 4.703 50 0 GJAAHM CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(OC)cc2)c([O-])c1 ZINC000005163437 206293152 /nfs/dbraw/zinc/29/31/52/206293152.db2.gz MYQGRZNGONFWMX-UHFFFAOYSA-N -1 3 378.350 4.875 50 0 GJAAHM Cc1ccccc1-n1cccc1/C=C1/[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000017299880 207088240 /nfs/dbraw/zinc/08/82/40/207088240.db2.gz VLSYUSNNWMONGU-QGOAFFKASA-N -1 3 377.831 4.536 50 0 GJAAHM C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2)[n-]c1=S ZINC000025105077 207301084 /nfs/dbraw/zinc/30/10/84/207301084.db2.gz XFKXFXWRKPORCE-ZDUSSCGKSA-N -1 3 381.530 4.868 50 0 GJAAHM O[C@H](CSc1nnc([N-]c2ccccc2F)s1)c1ccc(Cl)cc1 ZINC000040050238 207336549 /nfs/dbraw/zinc/33/65/49/207336549.db2.gz BQXSRKQKOZVBIY-CQSZACIVSA-N -1 3 381.885 4.900 50 0 GJAAHM CC(C)c1ccc([C@@H](NC(=O)c2ccc3n[n-]nc3c2)c2cccs2)cc1 ZINC000032459854 207395758 /nfs/dbraw/zinc/39/57/58/207395758.db2.gz OOWNSWRBMXJVGA-HXUWFJFHSA-N -1 3 376.485 4.662 50 0 GJAAHM CC[C@@H](C)N(Cc1ccc(C)s1)C(=O)c1cccc(-c2cc(=O)[n-]cn2)c1 ZINC000299793886 209091200 /nfs/dbraw/zinc/09/12/00/209091200.db2.gz IODNVGVLVQMIFY-CQSZACIVSA-N -1 3 381.501 4.660 50 0 GJAAHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1cccs1 ZINC000007523801 221000180 /nfs/dbraw/zinc/00/01/80/221000180.db2.gz LFKPLHFUECUGTL-UHFFFAOYSA-N -1 3 397.496 4.714 50 0 GJAAHM Cc1ccc(-n2ncc3c2nc(SCc2ccc(Cl)cc2)[n-]c3=O)cc1 ZINC000011363975 221115288 /nfs/dbraw/zinc/11/52/88/221115288.db2.gz IXZLQCARNCFABU-UHFFFAOYSA-N -1 3 382.876 4.775 50 0 GJAAHM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690031 221369052 /nfs/dbraw/zinc/36/90/52/221369052.db2.gz KBAIUAJMRMHVQW-MLGOLLRUSA-N -1 3 390.940 4.534 50 0 GJAAHM COc1cc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000065529962 222133508 /nfs/dbraw/zinc/13/35/08/222133508.db2.gz QFLFTNWZNNXIJW-INIZCTEOSA-N -1 3 384.863 4.764 50 0 GJAAHM O=C(Nc1ccc(Br)cc1)c1cccc(Cc2ccccc2)c1[O-] ZINC000002506198 570288837 /nfs/dbraw/zinc/28/88/37/570288837.db2.gz ROLPBVPXOBJVKV-UHFFFAOYSA-N -1 3 382.257 4.998 50 0 GJAAHM Cc1ccc(-c2cc(C(=O)[N-]c3nnc(C(C)C)s3)c3c(C)noc3n2)s1 ZINC000022311220 570312617 /nfs/dbraw/zinc/31/26/17/570312617.db2.gz MDDOOFONFCQEOJ-UHFFFAOYSA-N -1 3 399.501 4.795 50 0 GJAAHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1F ZINC000006219357 570343013 /nfs/dbraw/zinc/34/30/13/570343013.db2.gz LWJCFWPZKADZPR-UHFFFAOYSA-N -1 3 381.404 4.500 50 0 GJAAHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C1CCCCCCCCCCC1 ZINC000004324528 570367762 /nfs/dbraw/zinc/36/77/62/570367762.db2.gz QVBSNPMNNYAXHT-UHFFFAOYSA-N -1 3 399.553 4.635 50 0 GJAAHM [O-][C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 ZINC000004551349 570383785 /nfs/dbraw/zinc/38/37/85/570383785.db2.gz IIDXTANDCIHAPJ-INIZCTEOSA-N -1 3 397.809 4.815 50 0 GJAAHM COc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccco2)c1 ZINC000005035350 570403971 /nfs/dbraw/zinc/40/39/71/570403971.db2.gz WIVRAOORWRZXMS-UHFFFAOYSA-N -1 3 376.368 4.539 50 0 GJAAHM O[C@@H](CSc1nnc([N-]c2ccccc2F)s1)c1ccc(Cl)cc1 ZINC000040050237 570409526 /nfs/dbraw/zinc/40/95/26/570409526.db2.gz BQXSRKQKOZVBIY-AWEZNQCLSA-N -1 3 381.885 4.900 50 0 GJAAHM CCOc1ccc(CNCc2c(C)n(Cc3ccccc3)c(C)c2C(=O)[O-])cc1 ZINC000005138260 570425160 /nfs/dbraw/zinc/42/51/60/570425160.db2.gz VTROSBJVSBSZJN-UHFFFAOYSA-N -1 3 392.499 4.540 50 0 GJAAHM Cc1ccccc1CSc1nc2[n-]ncc2c(=O)n1-c1ccc(Cl)c(C)c1 ZINC000005156379 570434305 /nfs/dbraw/zinc/43/43/05/570434305.db2.gz BAWUOPRMNZTGGH-UHFFFAOYSA-N -1 3 396.903 4.671 50 0 GJAAHM Cc1ccccc1CSc1nc2n[n-]cc2c(=O)n1-c1ccc(Cl)c(C)c1 ZINC000005156379 570434309 /nfs/dbraw/zinc/43/43/09/570434309.db2.gz BAWUOPRMNZTGGH-UHFFFAOYSA-N -1 3 396.903 4.671 50 0 GJAAHM COC(=O)c1sc([N-]N=c2cc(-c3ccccc3)oc3ccccc32)nc1C ZINC000001915156 570448219 /nfs/dbraw/zinc/44/82/19/570448219.db2.gz KJSUWWJWSCTHNC-XQNSMLJCSA-N -1 3 391.452 4.579 50 0 GJAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2cccs2)cc1OCCC ZINC000006811505 570616200 /nfs/dbraw/zinc/61/62/00/570616200.db2.gz JVPACXWEDQEMIL-UHFFFAOYSA-N -1 3 387.461 4.628 50 0 GJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033025816 570660537 /nfs/dbraw/zinc/66/05/37/570660537.db2.gz NHVJLQKFFPKNFT-UHFFFAOYSA-N -1 3 396.443 4.783 50 0 GJAAHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc4ccccc43)nc(=O)c2c1C ZINC000005639947 570677476 /nfs/dbraw/zinc/67/74/76/570677476.db2.gz IGAURKAFVSZZLP-LBPRGKRZSA-N -1 3 378.453 4.673 50 0 GJAAHM CCc1csc(-c2csc(S(=O)(=O)[N-]Cc3ccc(C)c(C)c3)c2)n1 ZINC000065116828 570700952 /nfs/dbraw/zinc/70/09/52/570700952.db2.gz STNNVHGQFJTAQA-UHFFFAOYSA-N -1 3 392.571 4.529 50 0 GJAAHM Cc1cc2nc(Nc3nc(-c4ccccc4Cl)cc(=O)[n-]3)nc(C)c2cc1C ZINC000013693418 570776892 /nfs/dbraw/zinc/77/68/92/570776892.db2.gz RWLPZLBSPYHBCQ-UHFFFAOYSA-N -1 3 391.862 4.702 50 0 GJAAHM Cc1ccc(C(=O)N2CCc3onc(-c4cccc5ccccc54)c3C2)c([O-])c1 ZINC000067772846 570790608 /nfs/dbraw/zinc/79/06/08/570790608.db2.gz NXUGFARVZSZNAP-UHFFFAOYSA-N -1 3 384.435 4.707 50 0 GJAAHM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4[N-][C@@H]3c3ccccc3)C2)cc1 ZINC000102736706 570859346 /nfs/dbraw/zinc/85/93/46/570859346.db2.gz XXKBAGGTVZPQQX-FOIQADDNSA-N -1 3 388.427 4.707 50 0 GJAAHM O=C(Nc1ccccc1[O-])c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000047430846 570956254 /nfs/dbraw/zinc/95/62/54/570956254.db2.gz XYANXHYDMUHBOO-UHFFFAOYSA-N -1 3 387.361 4.726 50 0 GJAAHM CCOc1cc(/C=C2/SC(=N)N(c3ccc(F)cc3)C2=O)cc(Cl)c1[O-] ZINC000033291484 570959058 /nfs/dbraw/zinc/95/90/58/570959058.db2.gz PIIIGNIQBPOJPH-AZCZGVSUSA-N -1 3 392.839 4.639 50 0 GJAAHM O=c1nc(CN2CCCc3cccc(F)c32)[n-]c2scc(-c3ccccc3)c21 ZINC000012767527 571019022 /nfs/dbraw/zinc/01/90/22/571019022.db2.gz ALQJZHJAOVQVDT-UHFFFAOYSA-N -1 3 391.471 4.744 50 0 GJAAHM O=C([N-]c1cc(F)ccc1F)c1cc(Br)c(Br)s1 ZINC000012772540 571026548 /nfs/dbraw/zinc/02/65/48/571026548.db2.gz SQNFLFBDXHQLGF-UHFFFAOYSA-N -1 3 397.038 4.804 50 0 GJAAHM COc1cccc2cc(C(=O)[N-]c3nnc(-c4ccc5c(c4)CCCC5)o3)oc21 ZINC000009133634 212163748 /nfs/dbraw/zinc/16/37/48/212163748.db2.gz UZNCQXNCBHGRBG-UHFFFAOYSA-N -1 3 389.411 4.623 50 0 GJAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl ZINC000001128079 212221151 /nfs/dbraw/zinc/22/11/51/212221151.db2.gz SLSPDWSXSGDMLY-UHFFFAOYSA-N -1 3 385.099 4.779 50 0 GJAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1 ZINC000001003642 212204068 /nfs/dbraw/zinc/20/40/68/212204068.db2.gz RJKXEFVNGZTLBN-UHFFFAOYSA-N -1 3 394.496 4.665 50 0 GJAAHM COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2Br)c([O-])c1 ZINC000005164816 212146777 /nfs/dbraw/zinc/14/67/77/212146777.db2.gz COYBSBOVKOGNBP-UHFFFAOYSA-N -1 3 375.222 4.654 50 0 GJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccc(C)c4n3)cc2)c(C)c1 ZINC000000936136 206334107 /nfs/dbraw/zinc/33/41/07/206334107.db2.gz JKEJCTHPPHHZPJ-UHFFFAOYSA-N -1 3 391.496 4.727 50 0 GJAAHM CCOc1cccc2c1Oc1nc(-c3cc(Cl)ccc3[O-])[nH]c(=S)c1C2 ZINC000020380514 207190324 /nfs/dbraw/zinc/19/03/24/207190324.db2.gz IVHWEAMDPWLFFN-UHFFFAOYSA-N -1 3 386.860 4.887 50 0 GJAAHM CSc1ccc(CNCc2c(C)n(-c3ccccc3)c(C)c2C(=O)[O-])cc1 ZINC000021025853 207223986 /nfs/dbraw/zinc/22/39/86/207223986.db2.gz WRRODYOUWKRNPO-UHFFFAOYSA-N -1 3 380.513 4.804 50 0 GJAAHM Cc1c(CNCc2ccc(F)cc2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024773 207224318 /nfs/dbraw/zinc/22/43/18/207224318.db2.gz PSXJLOWXJZIQNP-UHFFFAOYSA-N -1 3 386.854 4.875 50 0 GJAAHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1csc(-c2ccsc2)n1 ZINC000021588246 207232278 /nfs/dbraw/zinc/23/22/78/207232278.db2.gz WOOHLSDXRYKEJT-UHFFFAOYSA-N -1 3 384.511 4.566 50 0 GJAAHM O=C(Nc1ccccc1)c1cc(=O)c(OCc2ccc(Cl)cc2Cl)c[n-]1 ZINC000061718650 207788678 /nfs/dbraw/zinc/78/86/78/207788678.db2.gz HTDXVRYLZVKFFK-UHFFFAOYSA-N -1 3 389.238 4.925 50 0 GJAAHM CC(=O)c1sc([N-]C(=O)c2c(F)c(F)cc(F)c2F)nc1-c1ccccc1 ZINC000095963529 208245867 /nfs/dbraw/zinc/24/58/67/208245867.db2.gz KOBXPMHRBXZRCI-UHFFFAOYSA-N -1 3 394.349 4.821 50 0 GJAAHM O=C1C[C@@H](c2ccccc2)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000096222242 209012108 /nfs/dbraw/zinc/01/21/08/209012108.db2.gz VMJMPYWSESIQDM-SFHVURJKSA-N -1 3 384.387 4.607 50 0 biogenic GJAAHM COc1cc(/C=C2\SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1[O-] ZINC000016312075 221361105 /nfs/dbraw/zinc/36/11/05/221361105.db2.gz LGLBQBSHVDSNEE-HOEQWYPASA-N -1 3 388.876 4.727 50 0 GJAAHM O=C(Nc1ccccc1[O-])c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000024926713 221620767 /nfs/dbraw/zinc/62/07/67/221620767.db2.gz INNKKBOXQMTGHJ-UHFFFAOYSA-N -1 3 381.741 4.502 50 0 GJAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)c(C)s1 ZINC000064450233 222070361 /nfs/dbraw/zinc/07/03/61/222070361.db2.gz MVUXFGNIOKAWEC-KRWDZBQOSA-N -1 3 393.512 4.785 50 0 GJAAHM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](CC(C)C)CC(=O)O4)c2=O)cc1 ZINC000085879177 570263680 /nfs/dbraw/zinc/26/36/80/570263680.db2.gz WBCQLYOJYJQDBX-CQSZACIVSA-N -1 3 394.423 4.613 50 0 biogenic GJAAHM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](CC(C)C)CC(=O)O4)c2=O)cc1 ZINC000085879179 570263775 /nfs/dbraw/zinc/26/37/75/570263775.db2.gz WBCQLYOJYJQDBX-AWEZNQCLSA-N -1 3 394.423 4.613 50 0 biogenic GJAAHM Cc1ccc(CSCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006233847 570346066 /nfs/dbraw/zinc/34/60/66/570346066.db2.gz GRPCLMNIUJHWMZ-UHFFFAOYSA-N -1 3 390.357 4.514 50 0 GJAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)c(C)s1 ZINC000035511545 570388355 /nfs/dbraw/zinc/38/83/55/570388355.db2.gz NAVJUQIRJPPUEN-INIZCTEOSA-N -1 3 399.903 4.821 50 0 GJAAHM Cn1c2ccccc2c2cc([C@@H]3N[C@@H](C(=O)[O-])Cc4c5ccccc5[nH]c43)ccc21 ZINC000001787666 570424788 /nfs/dbraw/zinc/42/47/88/570424788.db2.gz NGQNWWAYSMYTDE-OFNKIYASSA-N -1 3 395.462 4.501 50 0 biogenic GJAAHM O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1[O-])N1CCCCC1 ZINC000003656370 570539652 /nfs/dbraw/zinc/53/96/52/570539652.db2.gz UFDZACYACAMOFS-QGZVFWFLSA-N -1 3 388.305 4.689 50 0 GJAAHM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c(C)c2)on1 ZINC000064979695 570624494 /nfs/dbraw/zinc/62/44/94/570624494.db2.gz QAZZUDICVOHASF-UHFFFAOYSA-N -1 3 380.828 4.552 50 0 GJAAHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000238899952 570679869 /nfs/dbraw/zinc/67/98/69/570679869.db2.gz HJNSNAVAQFNFFI-UHFFFAOYSA-N -1 3 377.375 4.604 50 0 GJAAHM O=C1C[C@H]([C@H]2CC=CCC2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524731880 570766824 /nfs/dbraw/zinc/76/68/24/570766824.db2.gz NPFREZSWVDKTAI-GOEBONIOSA-N -1 3 388.419 4.915 50 0 biogenic GJAAHM O=C1[N-]C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)S1 ZINC000004675815 570822371 /nfs/dbraw/zinc/82/23/71/570822371.db2.gz DQDRLEHZTIKDEX-IUXPMGMMSA-N -1 3 386.835 4.806 50 0 GJAAHM O=C(c1cccc([O-])c1)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071708061 570843264 /nfs/dbraw/zinc/84/32/64/570843264.db2.gz VPCLLDAYNBVMRP-MRXNPFEDSA-N -1 3 377.406 4.896 50 0 GJAAHM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4[N-][C@@H]3c3ccccc3)C2)cc1 ZINC000102736704 570859494 /nfs/dbraw/zinc/85/94/94/570859494.db2.gz XXKBAGGTVZPQQX-MGPUTAFESA-N -1 3 388.427 4.707 50 0 GJAAHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1 ZINC000004548579 570859766 /nfs/dbraw/zinc/85/97/66/570859766.db2.gz GNGYZLLGMKRFLH-MRXNPFEDSA-N -1 3 376.806 4.763 50 0 GJAAHM C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[n-]1)N1CCc2ccccc21 ZINC000007503672 570860239 /nfs/dbraw/zinc/86/02/39/570860239.db2.gz SKVKZRVVSAULLA-LBPRGKRZSA-N -1 3 379.510 4.837 50 0 GJAAHM Cc1noc2nc(-c3ccccc3F)cc(C(=O)[N-]c3nnc(C(C)C)s3)c12 ZINC000022311226 570885777 /nfs/dbraw/zinc/88/57/77/570885777.db2.gz WWCJYAQWGRSNBW-UHFFFAOYSA-N -1 3 397.435 4.565 50 0 GJAAHM Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)c([O-])c1 ZINC000014809453 570902248 /nfs/dbraw/zinc/90/22/48/570902248.db2.gz RPNDBYMHUGBQGY-UHFFFAOYSA-N -1 3 379.435 4.547 50 0 GJAAHM CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000005735338 570914025 /nfs/dbraw/zinc/91/40/25/570914025.db2.gz FWONXBXDDJZNKB-SFHVURJKSA-N -1 3 389.521 4.513 50 0 GJAAHM CC(C)c1csc(-c2csc(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)n1 ZINC000033297724 570962129 /nfs/dbraw/zinc/96/21/29/570962129.db2.gz CADVUEBIXXLEDJ-UHFFFAOYSA-N -1 3 396.534 4.613 50 0 GJAAHM Cc1ccc(C)c(CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000011363972 570985989 /nfs/dbraw/zinc/98/59/89/570985989.db2.gz MMQDXDPEYWOYBS-UHFFFAOYSA-N -1 3 396.903 4.671 50 0 GJAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2O1 ZINC000001050270 206346342 /nfs/dbraw/zinc/34/63/42/206346342.db2.gz JMYOWJLWMYLICA-UHFFFAOYSA-N -1 3 395.238 4.705 50 0 GJAAHM COc1ccc2oc(=O)c(-c3nnc([N-]c4ccccc4Cl)s3)cc2c1 ZINC000001184545 206364952 /nfs/dbraw/zinc/36/49/52/206364952.db2.gz NSNLSTSDTGCURG-UHFFFAOYSA-N -1 3 385.832 4.717 50 0 GJAAHM CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1[N-]C(=O)C(F)(F)F ZINC000001935369 206394521 /nfs/dbraw/zinc/39/45/21/206394521.db2.gz VPIBBTBVAWQTEU-UHFFFAOYSA-N -1 3 377.771 4.746 50 0 GJAAHM Cc1cccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)c1C ZINC000006788796 206677242 /nfs/dbraw/zinc/67/72/42/206677242.db2.gz INCMOVMAKSOPRF-UHFFFAOYSA-N -1 3 388.493 4.768 50 0 GJAAHM Clc1ccc(OCc2nc(SCc3cc(-c4ccco4)on3)n[n-]2)cc1 ZINC000014198927 207015009 /nfs/dbraw/zinc/01/50/09/207015009.db2.gz PCTRRMUPALAKMQ-UHFFFAOYSA-N -1 3 388.836 4.577 50 0 GJAAHM C[C@@H](NC(=O)CSc1n[n-]c(-c2cccs2)n1)c1ccc2ccccc2c1 ZINC000015227770 207049061 /nfs/dbraw/zinc/04/90/61/207049061.db2.gz XTHYCNBCFFPJKZ-CYBMUJFWSA-N -1 3 394.525 4.656 50 0 GJAAHM O=S(=O)([N-][C@@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1Cl ZINC000015359976 207050152 /nfs/dbraw/zinc/05/01/52/207050152.db2.gz AXASKEVVKTWRRM-GFCCVEGCSA-N -1 3 392.304 4.648 50 0 GJAAHM CN(Cc1ccc(Br)cc1)Cn1nc(-c2cccs2)[n-]c1=S ZINC000022311008 207252416 /nfs/dbraw/zinc/25/24/16/207252416.db2.gz OWKYQXVBARUJNA-UHFFFAOYSA-N -1 3 395.351 4.521 50 0 GJAAHM CN(Cc1ccc(Cl)s1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000024601576 207293781 /nfs/dbraw/zinc/29/37/81/207293781.db2.gz POEQASUKSGBHJX-UHFFFAOYSA-N -1 3 391.905 4.592 50 0 GJAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-c2cccnc2)nc2ccccc21 ZINC000031814813 207387551 /nfs/dbraw/zinc/38/75/51/207387551.db2.gz RDJQXHZICHEWTQ-UHFFFAOYSA-N -1 3 375.815 4.908 50 0 GJAAHM COc1ccc(-c2nc([N-]C(=O)c3c(F)c(F)cc(F)c3F)sc2C)cc1 ZINC000095963528 208246154 /nfs/dbraw/zinc/24/61/54/208246154.db2.gz PSTFNODPMQLNBH-UHFFFAOYSA-N -1 3 396.365 4.936 50 0 GJAAHM O=C([N-]c1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCC2)C(F)(F)F ZINC000004150915 220686339 /nfs/dbraw/zinc/68/63/39/220686339.db2.gz YYFPJPUWXBBZHB-UHFFFAOYSA-N -1 3 388.798 4.643 50 0 GJAAHM O=S(=O)([N-][C@H](c1cccs1)c1ccccc1)c1ccc(Cl)cc1F ZINC000007702202 221006776 /nfs/dbraw/zinc/00/67/76/221006776.db2.gz IKDZKSPPGLCCHY-KRWDZBQOSA-N -1 3 381.881 4.609 50 0 GJAAHM O=c1nc(CN2CC[C@H]3CCCC[C@@H]3C2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000007900930 221015797 /nfs/dbraw/zinc/01/57/97/221015797.db2.gz RKHJKQOCOWWYKD-GDBMZVCRSA-N -1 3 397.519 4.803 50 0 GJAAHM Cc1c(CN[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000008932491 221064814 /nfs/dbraw/zinc/06/48/14/221064814.db2.gz PXNDBLYJQDYCDN-OAHLLOKOSA-N -1 3 380.463 4.841 50 0 GJAAHM Cc1cc2nc(Nc3nc(-c4ccc(Cl)cc4)cc(=O)[n-]3)nc(C)c2cc1C ZINC000009419828 221080674 /nfs/dbraw/zinc/08/06/74/221080674.db2.gz MJXLPYASIAAWOF-UHFFFAOYSA-N -1 3 391.862 4.702 50 0 GJAAHM Cc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000012857648 221238420 /nfs/dbraw/zinc/23/84/20/221238420.db2.gz DATXUFPISJYNHO-UHFFFAOYSA-N -1 3 375.497 4.592 50 0 GJAAHM Cc1c(CNCc2cccs2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000015776981 221344309 /nfs/dbraw/zinc/34/43/09/221344309.db2.gz YIQBXVIOUHLLFI-UHFFFAOYSA-N -1 3 388.920 4.856 50 0 GJAAHM Cc1c([O-])ccc2c(CNc3ccccc3COc3ccccc3)cc(=O)oc12 ZINC000059830725 222057775 /nfs/dbraw/zinc/05/77/75/222057775.db2.gz RKHIGCAYYJWHGA-UHFFFAOYSA-N -1 3 387.435 4.998 50 0 GJAAHM Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000064837541 222083258 /nfs/dbraw/zinc/08/32/58/222083258.db2.gz SFHZWTYSZXJUSG-UHFFFAOYSA-N -1 3 384.501 4.993 50 0 GJAAHM Cc1cccc(C)c1OC1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000065618555 222134663 /nfs/dbraw/zinc/13/46/63/222134663.db2.gz LEBQFKOWIRQCDC-UHFFFAOYSA-N -1 3 379.500 4.571 50 0 GJAAHM COc1ccc(OC)c([C@H]2CC(c3ccccc3[O-])=N[C@H](c3ccccc3)N2)c1 ZINC000080325058 222307389 /nfs/dbraw/zinc/30/73/89/222307389.db2.gz VFFVWMVIOSXMPN-QPPBQGQZSA-N -1 3 388.467 4.632 50 0 GJAAHM COc1ccc([C@H]2CC(=O)C=C([O-])[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100917852 570279145 /nfs/dbraw/zinc/27/91/45/570279145.db2.gz APLRHUIRZISVRH-RHSMWYFYSA-N -1 3 397.780 4.562 50 0 GJAAHM COc1ccc([C@H]2CC([O-])=CC(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100917852 570279147 /nfs/dbraw/zinc/27/91/47/570279147.db2.gz APLRHUIRZISVRH-RHSMWYFYSA-N -1 3 397.780 4.562 50 0 GJAAHM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c1 ZINC000002995799 570324653 /nfs/dbraw/zinc/32/46/53/570324653.db2.gz QOFQBWGXAHSAFN-UHFFFAOYSA-N -1 3 394.496 4.665 50 0 GJAAHM Cc1noc(C)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000035671699 570411861 /nfs/dbraw/zinc/41/18/61/570411861.db2.gz BXENWUKUTONKSU-UHFFFAOYSA-N -1 3 378.359 4.660 50 0 GJAAHM COc1ccccc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2[O-])n1 ZINC000252616149 570454513 /nfs/dbraw/zinc/45/45/13/570454513.db2.gz JXZDIMBQIQKYKI-UHFFFAOYSA-N -1 3 396.450 4.971 50 0 GJAAHM CCCc1nnc([N-]C(=O)c2sc(-n3cccc3)nc2-c2ccccc2)s1 ZINC000061717819 570500638 /nfs/dbraw/zinc/50/06/38/570500638.db2.gz DMGKLTVFUAXTBO-UHFFFAOYSA-N -1 3 395.513 4.657 50 0 GJAAHM COc1ccc(-c2cc(C(=O)[N-]c3cc(-c4ccc(C)cc4)no3)no2)cc1 ZINC000606422403 570522685 /nfs/dbraw/zinc/52/26/85/570522685.db2.gz WVKJGTSQCWHECS-UHFFFAOYSA-N -1 3 375.384 4.566 50 0 GJAAHM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022853279 570556458 /nfs/dbraw/zinc/55/64/58/570556458.db2.gz YBLFLAKLBGNSPB-INIZCTEOSA-N -1 3 390.940 4.534 50 0 GJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 ZINC000033025717 570660478 /nfs/dbraw/zinc/66/04/78/570660478.db2.gz ZMHKJBVELLBCAM-UHFFFAOYSA-N -1 3 378.453 4.644 50 0 GJAAHM O=C([O-])c1c(CNCc2cccc(F)c2)c2ccccc2n1Cc1ccccc1 ZINC000006899721 570694706 /nfs/dbraw/zinc/69/47/06/570694706.db2.gz NQHICCZPBMKDCJ-UHFFFAOYSA-N -1 3 388.442 4.817 50 0 GJAAHM CCc1csc(-c2csc(S(=O)(=O)[N-]Cc3ccccc3Cl)c2)n1 ZINC000065116782 570700911 /nfs/dbraw/zinc/70/09/11/570700911.db2.gz NRAMBUMEWUGERW-UHFFFAOYSA-N -1 3 398.962 4.566 50 0 GJAAHM Cc1ccc(OCc2nc(SCC(=O)C34CC5CC(CC(C5)C3)C4)n[n-]2)cc1 ZINC000005981374 570811765 /nfs/dbraw/zinc/81/17/65/570811765.db2.gz IRLWORGPKYXANN-UHFFFAOYSA-N -1 3 397.544 4.570 50 0 GJAAHM CC(C)(C)c1ccc(C(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000004673050 570819928 /nfs/dbraw/zinc/81/99/28/570819928.db2.gz OHLBUEFLBNSUHL-DNVCBOLYSA-N -1 3 382.426 4.627 50 0 GJAAHM CCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C ZINC000012544827 570846392 /nfs/dbraw/zinc/84/63/92/570846392.db2.gz YKSRLYJUSRTSMV-UHFFFAOYSA-N -1 3 388.533 4.686 50 0 GJAAHM O=c1nc(CSC[C@H]2CCCO2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000170595387 570852669 /nfs/dbraw/zinc/85/26/69/570852669.db2.gz KATPCIPLNZKKMO-CYBMUJFWSA-N -1 3 392.933 4.717 50 0 GJAAHM O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3[N-][C@H](c3cccc(F)c3)C12 ZINC000102739441 570861365 /nfs/dbraw/zinc/86/13/65/570861365.db2.gz HFJDMGIHTIYPSS-APPDUMDISA-N -1 3 382.420 4.899 50 0 GJAAHM COc1ccccc1[C@@H]1[N-]c2nonc2N=C2C[C@@H](c3cccs3)CC(=O)C21 ZINC000102754473 570862100 /nfs/dbraw/zinc/86/21/00/570862100.db2.gz CCSNQPQREKKEIN-ZMZPIMSZSA-N -1 3 394.456 4.769 50 0 GJAAHM CSc1nc2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2s1 ZINC000033298822 570962630 /nfs/dbraw/zinc/96/26/30/570962630.db2.gz LUUHSXDWNNEXRB-UHFFFAOYSA-N -1 3 384.935 4.614 50 0 GJAAHM Cc1ccc(-n2ncc3c2nc(S[C@H](C)c2ccccc2)[n-]c3=O)cc1C ZINC000011363984 570986132 /nfs/dbraw/zinc/98/61/32/570986132.db2.gz KPCXAGPLSPHPEX-OAHLLOKOSA-N -1 3 376.485 4.579 50 0 GJAAHM Cc1nn(-c2cccc(F)c2)c2c1C(=C([O-])c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056573 571016740 /nfs/dbraw/zinc/01/67/40/571016740.db2.gz SRTGAULPZNGRPP-FQEVSTJZSA-N -1 3 399.425 4.782 50 0 GJAAHM O=C(c1ccc(-c2ccccc2)cc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000001212477 212229101 /nfs/dbraw/zinc/22/91/01/212229101.db2.gz ORMZEFLKTWGZBG-XLIONFOSSA-N -1 3 388.389 4.607 50 0 GJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1C ZINC000000677105 212173679 /nfs/dbraw/zinc/17/36/79/212173679.db2.gz KHBYJYMKZWFFHC-UHFFFAOYSA-N -1 3 386.517 4.623 50 0 GJAAHM CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2OC)c([O-])c1 ZINC000005248819 212145681 /nfs/dbraw/zinc/14/56/81/212145681.db2.gz HQJJKHVHBQUOAT-UHFFFAOYSA-N -1 3 378.350 4.875 50 0 GJAAHM COc1cc([C@@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccccc2)ccc1O ZINC000000860753 206329125 /nfs/dbraw/zinc/32/91/25/206329125.db2.gz QPOSHVSRJBAGDY-HSZRJFAPSA-N -1 3 397.434 4.541 50 0 GJAAHM COc1cc([C@@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccccc2)ccc1O ZINC000000860753 206329128 /nfs/dbraw/zinc/32/91/28/206329128.db2.gz QPOSHVSRJBAGDY-HSZRJFAPSA-N -1 3 397.434 4.541 50 0 GJAAHM Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000021034268 207224912 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COc1ccc2nc([N-]C(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2c1 ZINC000011915759 570448184 /nfs/dbraw/zinc/44/81/84/570448184.db2.gz LDIUBOAMPMVYDQ-UHFFFAOYSA-N -1 3 385.832 4.866 50 0 GJAAHM Cc1ccc(-c2nnc([N-]C(=O)c3cc(Cl)ncc3Cl)s2)c(C)c1 ZINC000129878002 570463440 /nfs/dbraw/zinc/46/34/40/570463440.db2.gz IKGPLVPAHQIQFE-UHFFFAOYSA-N -1 3 379.272 4.776 50 0 GJAAHM Cc1nc2ccccc2c2nc([N-]C(=O)c3sc4ccccc4c3Cl)nn21 ZINC000005712599 570500507 /nfs/dbraw/zinc/50/05/07/570500507.db2.gz XUTNBIPKLNRJDV-UHFFFAOYSA-N -1 3 393.859 4.706 50 0 GJAAHM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036104705 570541465 /nfs/dbraw/zinc/54/14/65/570541465.db2.gz SRUCLAWPDCBJCA-LRDDRELGSA-N -1 3 390.940 4.534 50 0 GJAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2F)N(c2ccccc2)C3=O)cc1 ZINC000009040963 570546761 /nfs/dbraw/zinc/54/67/61/570546761.db2.gz HYBQILQPKIVEHZ-HSZRJFAPSA-N -1 3 399.425 4.974 50 0 GJAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2F)N(c2ccccc2)C3=O)cc1 ZINC000009040963 570546766 /nfs/dbraw/zinc/54/67/66/570546766.db2.gz HYBQILQPKIVEHZ-HSZRJFAPSA-N -1 3 399.425 4.974 50 0 GJAAHM O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000005453963 570598108 /nfs/dbraw/zinc/59/81/08/570598108.db2.gz VMDGGUCJGIMQTO-JOCHJYFZSA-N -1 3 385.398 4.671 50 0 GJAAHM O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000005453963 570598113 /nfs/dbraw/zinc/59/81/13/570598113.db2.gz VMDGGUCJGIMQTO-JOCHJYFZSA-N -1 3 385.398 4.671 50 0 GJAAHM Cc1ccc(C)c(Cn2c3ccccc3c(CNCc3cccnc3)c2C(=O)[O-])c1 ZINC000006803240 570605322 /nfs/dbraw/zinc/60/53/22/570605322.db2.gz RPOKLUWGYSRJID-UHFFFAOYSA-N -1 3 399.494 4.689 50 0 GJAAHM O=C([O-])c1c(CNCc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1 ZINC000006803667 570605703 /nfs/dbraw/zinc/60/57/03/570605703.db2.gz IJVHBFCAHOZTIA-UHFFFAOYSA-N -1 3 388.442 4.817 50 0 GJAAHM CC(C)c1cccc2c(=O)c(C(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)c[n-]c21 ZINC000524732179 570766858 /nfs/dbraw/zinc/76/68/58/570766858.db2.gz BUSDSPVGPIBYJV-OAQYLSRUSA-N -1 3 399.494 4.940 50 0 biogenic GJAAHM CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H](C)CCC)cc1 ZINC000005965690 570809518 /nfs/dbraw/zinc/80/95/18/570809518.db2.gz MGMDGDIJTYZASL-UGSOOPFHSA-N -1 3 389.521 4.751 50 0 GJAAHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003276325 570847802 /nfs/dbraw/zinc/84/78/02/570847802.db2.gz VTGRCUBJMFQLIU-QMMMGPOBSA-N -1 3 388.634 4.536 50 0 GJAAHM O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@H](c3ccccn3)C12 ZINC000102752926 570862194 /nfs/dbraw/zinc/86/21/94/570862194.db2.gz CDAUPVNDJBUNPR-KPZWWZAWSA-N -1 3 393.834 4.747 50 0 GJAAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1F ZINC000102892919 570870027 /nfs/dbraw/zinc/87/00/27/570870027.db2.gz JTTOFSCZFHLTGH-GOSISDBHSA-N -1 3 375.403 4.931 50 0 GJAAHM O=S(=O)([N-]CCC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl ZINC000004578125 570905514 /nfs/dbraw/zinc/90/55/14/570905514.db2.gz SKCQQJVHBHQUFS-UHFFFAOYSA-N -1 3 388.360 4.878 50 0 GJAAHM Cc1ccc(-n2ncc3c2nc(S[C@@H](C)c2ccccc2)[n-]c3=O)cc1C 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392.499 4.711 50 0 GJAAHM Cc1sc2[nH]c(=S)n(-c3ccc(C)cc3[O-])c(=O)c2c1-c1ccccc1 ZINC000017077807 207083017 /nfs/dbraw/zinc/08/30/17/207083017.db2.gz KQEBNSKUOREOBY-UHFFFAOYSA-N -1 3 380.494 4.725 50 0 GJAAHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(Cl)cc1Cl ZINC000024808406 207296526 /nfs/dbraw/zinc/29/65/26/207296526.db2.gz QHXVDKWIGKJOEM-JTQLQIEISA-N -1 3 388.254 4.827 50 0 GJAAHM CCOc1ccc2nc([N-]C(=O)c3cc(-c4ccc(C)cc4)on3)sc2c1 ZINC000027662627 207329107 /nfs/dbraw/zinc/32/91/07/207329107.db2.gz DVVXBQZPHQMDII-UHFFFAOYSA-N -1 3 379.441 4.911 50 0 GJAAHM CCCCCc1nnc([N-]C(=O)c2sc(-c3ccc(C)o3)nc2C)s1 ZINC000031276573 207382681 /nfs/dbraw/zinc/38/26/81/207382681.db2.gz OJSSBINNACBIBS-UHFFFAOYSA-N -1 3 376.507 4.856 50 0 GJAAHM Cc1cccc(CSCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002843299 220572985 /nfs/dbraw/zinc/57/29/85/220572985.db2.gz RMSAJGYWHTZFJZ-UHFFFAOYSA-N -1 3 390.357 4.514 50 0 GJAAHM C[C@H](N[C@@H]1CCc2ccccc21)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000012805425 221234909 /nfs/dbraw/zinc/23/49/09/221234909.db2.gz HNRILSPMUAAIBQ-BLLLJJGKSA-N -1 3 377.469 4.583 50 0 GJAAHM Cc1c(CN[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776843 221345059 /nfs/dbraw/zinc/34/50/59/221345059.db2.gz HYYITMDUPDSFGI-HNNXBMFYSA-N -1 3 380.463 4.841 50 0 GJAAHM Cc1sc2[n-]c(=S)n(CCN3CCCCC3)c(=O)c2c1-c1ccccc1 ZINC000017078749 221377379 /nfs/dbraw/zinc/37/73/79/221377379.db2.gz AMZLMSHTQNLYER-UHFFFAOYSA-N -1 3 385.558 4.582 50 0 GJAAHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058155302 222041013 /nfs/dbraw/zinc/04/10/13/222041013.db2.gz WSNPMRIQSYWOQL-UHFFFAOYSA-N -1 3 392.524 4.901 50 0 GJAAHM Cc1ccc(-c2ncc(C(=O)[N-]c3c4ccccc4oc3C(N)=O)s2)c(C)c1 ZINC000061134279 222061331 /nfs/dbraw/zinc/06/13/31/222061331.db2.gz CGKAAEYOTSLGOC-UHFFFAOYSA-N -1 3 391.452 4.524 50 0 GJAAHM O=C(Nc1ccc2[nH]ccc2c1)c1cc(=O)c(OCc2ccc(Cl)cc2)c[n-]1 ZINC000061720256 222063255 /nfs/dbraw/zinc/06/32/55/222063255.db2.gz GEEVLENKBGHLRG-UHFFFAOYSA-N -1 3 393.830 4.753 50 0 GJAAHM O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000067742050 222158072 /nfs/dbraw/zinc/15/80/72/222158072.db2.gz LKHYEQZPTXMQSB-UHFFFAOYSA-N -1 3 388.345 4.528 50 0 GJAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C ZINC000011565958 570229768 /nfs/dbraw/zinc/22/97/68/570229768.db2.gz BPHDULBCCFYLOG-UHFFFAOYSA-N -1 3 387.423 4.994 50 0 GJAAHM Cc1ccc(CN(C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000012913087 570292414 /nfs/dbraw/zinc/29/24/14/570292414.db2.gz VJSTUMBSQPNXMV-AWEZNQCLSA-N -1 3 379.485 4.746 50 0 GJAAHM CCCCCCc1cc2cc(C(N)=O)/c(=N/c3cccc(OC)c3)oc2cc1[O-] ZINC000100165260 570313030 /nfs/dbraw/zinc/31/30/30/570313030.db2.gz PVSKARZZXJULPJ-BZZOAKBMSA-N -1 3 394.471 4.601 50 0 GJAAHM [O-]c1ccc(Br)cc1-c1nc2cnccn2c1Nc1ccc(F)cc1 ZINC000035477280 570365974 /nfs/dbraw/zinc/36/59/74/570365974.db2.gz LWRUNBXROZDPCE-UHFFFAOYSA-N -1 3 399.223 4.747 50 0 GJAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)c(C)s1 ZINC000035511544 570388288 /nfs/dbraw/zinc/38/82/88/570388288.db2.gz NAVJUQIRJPPUEN-MRXNPFEDSA-N -1 3 399.903 4.821 50 0 GJAAHM CCOc1ccccc1NC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccco1 ZINC000005106924 570418075 /nfs/dbraw/zinc/41/80/75/570418075.db2.gz DPRDXCRMHJENOJ-UHFFFAOYSA-N -1 3 390.395 4.929 50 0 GJAAHM CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000026850101 570429216 /nfs/dbraw/zinc/42/92/16/570429216.db2.gz WNOSDTICSKTWCR-UHFFFAOYSA-N -1 3 387.361 4.732 50 0 GJAAHM NC(=O)c1c2c(sc1[N-]C(=O)C(F)(F)F)CCCCCCCCCC2 ZINC000005517209 570444023 /nfs/dbraw/zinc/44/40/23/570444023.db2.gz OQEWIDMGLMRTAQ-UHFFFAOYSA-N -1 3 376.444 4.567 50 0 GJAAHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 ZINC000050809764 570465523 /nfs/dbraw/zinc/46/55/23/570465523.db2.gz CFXKFICUMHKSMC-UHFFFAOYSA-N -1 3 389.282 4.543 50 0 GJAAHM Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1 ZINC000064837719 570561841 /nfs/dbraw/zinc/56/18/41/570561841.db2.gz GXMMRUXCIKFBNR-UHFFFAOYSA-N -1 3 376.865 4.721 50 0 GJAAHM O=C([O-])c1ccc(CNCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000010475230 570571233 /nfs/dbraw/zinc/57/12/33/570571233.db2.gz CIRZNMCQTDRGOU-UHFFFAOYSA-N -1 3 381.859 4.907 50 0 GJAAHM [O-]c1ccc(CN2CCC(CO)(Cc3ccccc3Cl)CC2)cc1Cl ZINC000012055328 570602189 /nfs/dbraw/zinc/60/21/89/570602189.db2.gz FPSWFDSHENJSDX-UHFFFAOYSA-N -1 3 380.315 4.516 50 0 GJAAHM Cc1nc(C)c(C(=O)Nc2ccccc2/C=C/c2ccc3cccc([O-])c3n2)o1 ZINC000055061004 570681029 /nfs/dbraw/zinc/68/10/29/570681029.db2.gz QUIWUCWNDFHDQM-ZRDIBKRKSA-N -1 3 385.423 4.968 50 0 GJAAHM COc1cc(/C=C/c2ccc3cccc([O-])c3n2)cc(Br)c1OC ZINC000013124923 570747398 /nfs/dbraw/zinc/74/73/98/570747398.db2.gz MFVDRHZMYDJKDF-SOFGYWHQSA-N -1 3 386.245 4.891 50 0 GJAAHM COc1cc(CN(C)C(=O)c2cc(C)ccc2[O-])ccc1OCc1ccccc1 ZINC000032722420 570768643 /nfs/dbraw/zinc/76/86/43/570768643.db2.gz YZIWVVIGVPQNNU-UHFFFAOYSA-N -1 3 391.467 4.560 50 0 GJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C/c3cccs3)cc2)cc1 ZINC000005925308 570804576 /nfs/dbraw/zinc/80/45/76/570804576.db2.gz 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O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccc(Br)cc2F)S1 ZINC000004050221 570925481 /nfs/dbraw/zinc/92/54/81/570925481.db2.gz LZJWFTRBKBDIFT-AUWJEWJLSA-N -1 3 394.221 4.704 50 0 GJAAHM Cc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)c[n-]2)cc1Cl ZINC000012169036 570961048 /nfs/dbraw/zinc/96/10/48/570961048.db2.gz CANKUMKEXWHADB-UHFFFAOYSA-N -1 3 386.810 4.719 50 0 GJAAHM O=S(=O)([N-]Cc1csc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000004166828 570970187 /nfs/dbraw/zinc/97/01/87/570970187.db2.gz ZTAUJEFOCXSJLI-UHFFFAOYSA-N -1 3 399.324 4.595 50 0 GJAAHM Cc1ccc(CN(C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)c(C)c1 ZINC000007674426 571014717 /nfs/dbraw/zinc/01/47/17/571014717.db2.gz DIVRBVSMYFKNOO-UHFFFAOYSA-N -1 3 389.524 4.900 50 0 GJAAHM Cc1nn(-c2cccc(F)c2)c2c1C(=C([O-])c1cccc3ccccc31)CC(=O)N2 ZINC000046056528 571016585 /nfs/dbraw/zinc/01/65/85/571016585.db2.gz ZMRJASMHCIZYEZ-HXUWFJFHSA-N -1 3 399.425 4.782 50 0 GJAAHM O=S(=O)([N-][C@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccs1 ZINC000084501831 571019651 /nfs/dbraw/zinc/01/96/51/571019651.db2.gz RNBURZOEUIYIRM-QGZVFWFLSA-N -1 3 381.881 4.609 50 0 GJAAHM CCCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCC)cc2[O-])cc1 ZINC000017919855 212150082 /nfs/dbraw/zinc/15/00/82/212150082.db2.gz BQNYKFQPAGGIRM-UHFFFAOYSA-N -1 3 396.443 4.849 50 0 GJAAHM Cc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c([O-])c1 ZINC000015721305 207055162 /nfs/dbraw/zinc/05/51/62/207055162.db2.gz ZRAGDMJUVHTTLR-UHFFFAOYSA-N -1 3 394.496 4.518 50 0 GJAAHM C[C@@H]1c2ccsc2CCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023909075 207283881 /nfs/dbraw/zinc/28/38/81/207283881.db2.gz OOJCVQWYSOEMTP-CYBMUJFWSA-N -1 3 393.537 4.832 50 0 GJAAHM COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCCC1 ZINC000095479943 208195157 /nfs/dbraw/zinc/19/51/57/208195157.db2.gz YSGAYUSNSSWTNW-SFHVURJKSA-N -1 3 387.505 4.505 50 0 GJAAHM Cc1c(CNCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932558 221064615 /nfs/dbraw/zinc/06/46/15/221064615.db2.gz UCUMYYIROFKMEU-UHFFFAOYSA-N -1 3 376.500 4.758 50 0 GJAAHM CCOc1ccc2nc([N-]C(=O)c3cc(-c4ccc(OC)cc4)on3)sc2c1 ZINC000011915052 221136115 /nfs/dbraw/zinc/13/61/15/221136115.db2.gz UPBAOWSYEDPNDF-UHFFFAOYSA-N -1 3 395.440 4.611 50 0 GJAAHM COc1cccc(/N=c2/cc(-c3ccc4c(c3)OCO4)oc3ccc([O-])cc32)c1 ZINC000012659398 221217597 /nfs/dbraw/zinc/21/75/97/221217597.db2.gz UHFWBFXTHGEZMQ-CLCOLTQESA-N -1 3 387.391 4.775 50 0 biogenic GJAAHM O=C(c1ccccc1[O-])N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000071762382 222193621 /nfs/dbraw/zinc/19/36/21/222193621.db2.gz NEXRTVPTYOAXRP-UHFFFAOYSA-N -1 3 395.462 4.648 50 0 GJAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccnc1Cl ZINC000006053826 570229887 /nfs/dbraw/zinc/22/98/87/570229887.db2.gz FKRFRCGZGMZQBA-UHFFFAOYSA-N -1 3 381.844 4.970 50 0 GJAAHM CCCCc1nc(-n2cccc2)sc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000049548985 570269447 /nfs/dbraw/zinc/26/94/47/570269447.db2.gz WDIIJXDGAYJCAB-UHFFFAOYSA-N -1 3 375.523 4.504 50 0 GJAAHM [O-]C(=C[C@]1(C(F)(F)F)NN=C(c2ccccc2)S1)c1ccc(Cl)cc1 ZINC000002188996 570278221 /nfs/dbraw/zinc/27/82/21/570278221.db2.gz HVQHWVXRAYSSOA-INIZCTEOSA-N -1 3 384.810 4.870 50 0 GJAAHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000050534727 570341782 /nfs/dbraw/zinc/34/17/82/570341782.db2.gz UWLTUTNEQUMONW-UHFFFAOYSA-N -1 3 398.553 4.502 50 0 GJAAHM O=C([N-]c1nnc(-c2ccc(Br)s2)o1)c1cc2ccccc2o1 ZINC000011695481 570343633 /nfs/dbraw/zinc/34/36/33/570343633.db2.gz DTOJWMRHFDMWDK-UHFFFAOYSA-N -1 3 390.218 4.559 50 0 GJAAHM CC(C)(C)NC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1[O-] ZINC000003615993 570348929 /nfs/dbraw/zinc/34/89/29/570348929.db2.gz CPFUEANGYZBIQQ-OAHLLOKOSA-N -1 3 376.294 4.591 50 0 GJAAHM CCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OC(C)C)cc1 ZINC000006265377 570353568 /nfs/dbraw/zinc/35/35/68/570353568.db2.gz LDAJRIAODYMKGN-UGSOOPFHSA-N -1 3 389.521 4.749 50 0 GJAAHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000004662690 570390584 /nfs/dbraw/zinc/39/05/84/570390584.db2.gz SRILEKKWPNWKAD-UHFFFAOYSA-N -1 3 394.496 4.665 50 0 GJAAHM COc1ccc(SCc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)cc1 ZINC000006657502 570521335 /nfs/dbraw/zinc/52/13/35/570521335.db2.gz RGCLSSDTCVIBEO-UHFFFAOYSA-N -1 3 380.494 4.953 50 0 GJAAHM O=C([N-]c1nc2c(cccc2Br)s1)c1nc2ccccc2s1 ZINC000004325781 570566661 /nfs/dbraw/zinc/56/66/61/570566661.db2.gz MXJAKZSUZXWYLX-UHFFFAOYSA-N -1 3 390.287 4.921 50 0 GJAAHM CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)[N-]C1=Nc1cc(F)ccc1F ZINC000006797400 570597642 /nfs/dbraw/zinc/59/76/42/570597642.db2.gz RGCBIZRWQMUVAN-UHFFFAOYSA-N -1 3 376.428 4.673 50 0 GJAAHM Cc1ccccc1Cn1c2ccccc2c(CNCc2ccccc2)c1C(=O)[O-] ZINC000006899690 570694514 /nfs/dbraw/zinc/69/45/14/570694514.db2.gz YAEAELSQURINDP-UHFFFAOYSA-N -1 3 384.479 4.986 50 0 GJAAHM Cc1ccc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000006938014 570712339 /nfs/dbraw/zinc/71/23/39/570712339.db2.gz IZKCBWURFJLAHJ-UHFFFAOYSA-N -1 3 399.447 4.579 50 0 GJAAHM O=S(=O)([N-]Cc1cccs1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004805 570757925 /nfs/dbraw/zinc/75/79/25/570757925.db2.gz PMXFNXBDJZXJBQ-UHFFFAOYSA-N -1 3 394.543 4.601 50 0 GJAAHM O=C1C[C@H]([C@@H]2CC=CCC2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524731879 570766786 /nfs/dbraw/zinc/76/67/86/570766786.db2.gz NPFREZSWVDKTAI-GDBMZVCRSA-N -1 3 388.419 4.915 50 0 biogenic GJAAHM Cc1nc2ccc3nc([N-]C(=O)c4cc(-c5ccco5)on4)sc3c2s1 ZINC000036709403 570798522 /nfs/dbraw/zinc/79/85/22/570798522.db2.gz UMODUSRRQAVSNG-UHFFFAOYSA-N -1 3 382.426 4.715 50 0 GJAAHM Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c([O-])c1 ZINC000032863712 570861624 /nfs/dbraw/zinc/86/16/24/570861624.db2.gz QQDXFRVDXFRFCR-UHFFFAOYSA-N -1 3 376.416 4.539 50 0 GJAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)c(C)s1 ZINC000046056880 571017123 /nfs/dbraw/zinc/01/71/23/571017123.db2.gz DVQCKWVJGQVSKM-GOSISDBHSA-N -1 3 393.512 4.785 50 0 GJAAHM CC(=O)c1csc([N-]C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)n1 ZINC000015575801 571022617 /nfs/dbraw/zinc/02/26/17/571022617.db2.gz KBBSLBNVVWEEEX-UHFFFAOYSA-N -1 3 385.059 4.607 50 0 GJAAHM Cc1ccc(-n2cccc2/C=C2/[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000000687271 212174871 /nfs/dbraw/zinc/17/48/71/212174871.db2.gz QLRYSESRNSHABV-CPNJWEJPSA-N -1 3 391.858 4.845 50 0 GJAAHM O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc([O-])cc1 ZINC000000625898 212166059 /nfs/dbraw/zinc/16/60/59/212166059.db2.gz CJVMGBRFZUYLET-UHFFFAOYSA-N -1 3 377.010 4.806 50 0 GJAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000000944098 206335868 /nfs/dbraw/zinc/33/58/68/206335868.db2.gz JQDQOCDXPUSQIC-AWEZNQCLSA-N -1 3 385.485 4.757 50 0 aggregator GJAAHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccccc1Br ZINC000007402186 206710553 /nfs/dbraw/zinc/71/05/53/206710553.db2.gz SARNQFHBRLMPRK-UHFFFAOYSA-N -1 3 381.078 4.557 50 0 GJAAHM [O-]C(=C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000014187872 207014396 /nfs/dbraw/zinc/01/43/96/207014396.db2.gz NUTRWMXDHCMZGE-MRXNPFEDSA-N -1 3 385.794 4.973 50 0 GJAAHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccc(C)cc3)on2)sc2c1CCCC2 ZINC000021149546 207227222 /nfs/dbraw/zinc/22/72/22/207227222.db2.gz XDFRDVPQMADSJA-UHFFFAOYSA-N -1 3 396.468 4.629 50 0 GJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncnc4ccccc43)cc2)cc1 ZINC000024058232 207287372 /nfs/dbraw/zinc/28/73/72/207287372.db2.gz CFLOOMYHBVNESS-UHFFFAOYSA-N -1 3 391.452 4.531 50 0 GJAAHM Cc1c([O-])ccc2c(CN[C@H](C)c3ccc(Cl)cc3Cl)cc(=O)oc12 ZINC000007267710 220992226 /nfs/dbraw/zinc/99/22/26/220992226.db2.gz QMSIHMMLWTZRMG-LLVKDONJSA-N -1 3 378.255 4.965 50 0 GJAAHM O=C([N-]c1nnc(Cc2ccc(F)cc2)o1)c1sc2ccccc2c1Cl ZINC000008921235 221064143 /nfs/dbraw/zinc/06/41/43/221064143.db2.gz BUENVDFKIPNFMS-UHFFFAOYSA-N -1 3 387.823 4.920 50 0 GJAAHM O=S(=O)([N-]C1CCCCC1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004626 222094735 /nfs/dbraw/zinc/09/47/35/222094735.db2.gz BEPKYSNZTZKSAP-UHFFFAOYSA-N -1 3 380.535 4.672 50 0 GJAAHM CCc1csc(-c2csc(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)c2)n1 ZINC000065116784 222102066 /nfs/dbraw/zinc/10/20/66/222102066.db2.gz MIGLPLSWQHLZDS-UHFFFAOYSA-N -1 3 398.962 4.566 50 0 GJAAHM O=C(c1ccccc1[O-])N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071759928 222193836 /nfs/dbraw/zinc/19/38/36/222193836.db2.gz VFWRWCSWRNYDRJ-HNNXBMFYSA-N -1 3 377.406 4.896 50 0 GJAAHM O=C(Nc1nc(-c2cccnc2)cs1)c1c[n-]nc1-c1ccc(F)c(Cl)c1 ZINC000095964191 222366227 /nfs/dbraw/zinc/36/62/27/222366227.db2.gz RJMOYCICQUTAMA-UHFFFAOYSA-N -1 3 399.838 4.640 50 0 GJAAHM O=C(Nc1nc(-c2cccnc2)cs1)c1cn[n-]c1-c1ccc(F)c(Cl)c1 ZINC000095964191 222366232 /nfs/dbraw/zinc/36/62/32/222366232.db2.gz RJMOYCICQUTAMA-UHFFFAOYSA-N -1 3 399.838 4.640 50 0 GJAAHM Cc1ccccc1-n1cccc1/C=C1\[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000000661649 570287240 /nfs/dbraw/zinc/28/72/40/570287240.db2.gz VLSYUSNNWMONGU-AQTBWJFISA-N -1 3 377.831 4.536 50 0 GJAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 ZINC000004870948 570352288 /nfs/dbraw/zinc/35/22/88/570352288.db2.gz XFWURRJRODEWOG-QHCPKHFHSA-N -1 3 399.425 4.974 50 0 GJAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 ZINC000004870948 570352292 /nfs/dbraw/zinc/35/22/92/570352292.db2.gz XFWURRJRODEWOG-QHCPKHFHSA-N -1 3 399.425 4.974 50 0 GJAAHM COc1cc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)ccc1O ZINC000004155087 570360185 /nfs/dbraw/zinc/36/01/85/570360185.db2.gz OEHZSAHLIXAOHB-WYMLVPIESA-N -1 3 385.423 4.525 50 0 biogenic GJAAHM CCSc1nnc([N-]C(=O)c2ccc(CSc3ccccc3)o2)s1 ZINC000004540198 570383000 /nfs/dbraw/zinc/38/30/00/570383000.db2.gz XEFIZZGQQAUZTB-UHFFFAOYSA-N -1 3 377.516 4.788 50 0 GJAAHM CC(=O)Oc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)cc1 ZINC000005059435 570426997 /nfs/dbraw/zinc/42/69/97/570426997.db2.gz QOXNAJZYVSCGHT-DTQAZKPQSA-N -1 3 397.434 4.736 50 0 GJAAHM COc1cccc([C@@H]2c3c([n-]nc3-c3ccc(F)cc3)C(=O)N2c2ccccc2)c1 ZINC000006786928 570592536 /nfs/dbraw/zinc/59/25/36/570592536.db2.gz HOAZSJKFHGKIIY-HSZRJFAPSA-N -1 3 399.425 4.974 50 0 GJAAHM COc1cccc([C@@H]2c3c(n[n-]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)c1 ZINC000006786928 570592538 /nfs/dbraw/zinc/59/25/38/570592538.db2.gz HOAZSJKFHGKIIY-HSZRJFAPSA-N -1 3 399.425 4.974 50 0 GJAAHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1Br ZINC000001121189 570714882 /nfs/dbraw/zinc/71/48/82/570714882.db2.gz SXZKRJHNPVJKMQ-UHFFFAOYSA-N -1 3 398.322 4.690 50 0 GJAAHM C[C@@H](Sc1ccc2ccccc2c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007025829 570742446 /nfs/dbraw/zinc/74/24/46/570742446.db2.gz ZHXDLTDAIGNCIJ-CQSZACIVSA-N -1 3 385.510 4.575 50 0 GJAAHM O=S(=O)([N-]Cc1cncc(-c2ccsc2)c1)c1c(Cl)cccc1Cl ZINC000206951051 570760467 /nfs/dbraw/zinc/76/04/67/570760467.db2.gz LMLXCJQICKLTCF-UHFFFAOYSA-N -1 3 399.324 4.595 50 0 GJAAHM O=C([N-]c1nc(-c2nc3ccccc3s2)cs1)c1cc(-c2ccco2)on1 ZINC000036709433 570798449 /nfs/dbraw/zinc/79/84/49/570798449.db2.gz FUNZIFYQJNEFJG-UHFFFAOYSA-N -1 3 394.437 4.920 50 0 GJAAHM Cc1c([O-])ccc2c(CN[C@@H](C)c3ccc(Cl)cc3Cl)cc(=O)oc12 ZINC000007267709 570822577 /nfs/dbraw/zinc/82/25/77/570822577.db2.gz QMSIHMMLWTZRMG-NSHDSACASA-N -1 3 378.255 4.965 50 0 GJAAHM Cc1nn(-c2ccccc2Cl)c(Cl)c1CNCCCCCCC(=O)[O-] ZINC000170593220 570851805 /nfs/dbraw/zinc/85/18/05/570851805.db2.gz MQWKLNDATNYMEK-UHFFFAOYSA-N -1 3 384.307 4.612 50 0 GJAAHM COc1ccc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)cc1 ZINC000102745355 570860940 /nfs/dbraw/zinc/86/09/40/570860940.db2.gz UODLIRVHFIKOSS-KZULUSFZSA-N -1 3 394.456 4.769 50 0 GJAAHM COc1ccc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1 ZINC000102745362 570860977 /nfs/dbraw/zinc/86/09/77/570860977.db2.gz UODLIRVHFIKOSS-SGTLLEGYSA-N -1 3 394.456 4.769 50 0 GJAAHM CSc1ccccc1-c1nnc([N-]C(=O)c2ccc(Br)s2)o1 ZINC000004585557 570918976 /nfs/dbraw/zinc/91/89/76/570918976.db2.gz KNFDACJKNPTUQT-UHFFFAOYSA-N -1 3 396.291 4.535 50 0 GJAAHM O=S(=O)([N-]Cc1csc(-c2ccccc2)n1)c1cc(Cl)ccc1Cl ZINC000004166824 570970179 /nfs/dbraw/zinc/97/01/79/570970179.db2.gz ZPUVWAGDXQQUGX-UHFFFAOYSA-N -1 3 399.324 4.595 50 0 GJAAHM S=c1[n-]c(-c2cccs2)nn1CN1CCC(c2nc3ccccc3o2)CC1 ZINC000045295668 570989792 /nfs/dbraw/zinc/98/97/92/570989792.db2.gz MWPFFWXRBZQRMP-UHFFFAOYSA-N -1 3 397.529 4.647 50 0 GJAAHM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1cccc(Cl)c1)CC(=O)N2 ZINC000046056769 571016596 /nfs/dbraw/zinc/01/65/96/571016596.db2.gz FCYOGFJCOJASEZ-GOSISDBHSA-N -1 3 393.874 4.760 50 0 GJAAHM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1ccc(Cl)cc1)CC(=O)N2 ZINC000046056744 571016818 /nfs/dbraw/zinc/01/68/18/571016818.db2.gz QFBQLYDYOWAPIX-GOSISDBHSA-N -1 3 393.874 4.760 50 0 GJAAHM O=C([N-]c1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ncoc1[C@@H]1CCCO1 ZINC000084525566 571021311 /nfs/dbraw/zinc/02/13/11/571021311.db2.gz AVAYDMWVNSRTKL-ZBFHGGJFSA-N -1 3 395.484 4.507 50 0 GJAAHM C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[n-]1)N(C)Cc1cccc(F)c1 ZINC000012782702 571035859 /nfs/dbraw/zinc/03/58/59/571035859.db2.gz MUKUOHUQMGVOSR-LBPRGKRZSA-N -1 3 383.448 4.577 50 0 GJAAHM O=C([O-])c1cccc([C@H]2CCCN(Cc3cnc(C4CCCCC4)nc3)C2)c1 ZINC000095373918 571062876 /nfs/dbraw/zinc/06/28/76/571062876.db2.gz HQROMSTZQKEJAU-NRFANRHFSA-N -1 3 379.504 4.602 50 0 GJAAHM