smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000108065767 206027351 /nfs/dbraw/zinc/02/73/51/206027351.db2.gz AVGJOVKEHSUSDC-UHFFFAOYSA-N -1 3 351.368 4.807 20 0 FJADHM Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c([O-])c1 ZINC000105838231 222377623 /nfs/dbraw/zinc/37/76/23/222377623.db2.gz RVWVOQKBXMWAKB-UHFFFAOYSA-N -1 3 369.852 4.915 20 0 FJADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[N-]c1c(F)cccc1F ZINC000041750795 568180695 /nfs/dbraw/zinc/18/06/95/568180695.db2.gz VETXUMIEQUZXNP-UHFFFAOYSA-N -1 3 362.376 4.712 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1[O-] ZINC000604901581 568384792 /nfs/dbraw/zinc/38/47/92/568384792.db2.gz FJMYKMJAILZHBL-UHFFFAOYSA-N -1 3 374.799 4.719 20 0 FJADHM Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(Cl)cc(C)c3[O-])s2)o1 ZINC000604901902 568384983 /nfs/dbraw/zinc/38/49/83/568384983.db2.gz CLYKZCMKQCPCFB-UHFFFAOYSA-N -1 3 362.838 4.940 20 0 FJADHM c1sc(C2CCCCC2)nc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000604932769 568395247 /nfs/dbraw/zinc/39/52/47/568395247.db2.gz LISGABFXZDHHGS-UHFFFAOYSA-N -1 3 357.508 4.663 20 0 FJADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)C1CCCCC1 ZINC000021382051 568470047 /nfs/dbraw/zinc/47/00/47/568470047.db2.gz FWHJVDSTXSQBNZ-UHFFFAOYSA-N -1 3 351.472 4.662 20 0 FJADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000016129544 210153827 /nfs/dbraw/zinc/15/38/27/210153827.db2.gz DJCCOGUEZVKNEP-UHFFFAOYSA-N -1 3 354.617 4.587 20 0 FJADHM COc1cc(/C=C/c2ccc3ccccc3n2)c(Br)cc1[O-] ZINC000072041971 205464001 /nfs/dbraw/zinc/46/40/01/205464001.db2.gz OFBFGJFAJLGCBE-VQHVLOKHSA-N -1 3 356.219 4.882 20 0 FJADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000303339679 568266742 /nfs/dbraw/zinc/26/67/42/568266742.db2.gz CWGMWMSBPFMVEY-NEPJUHHUSA-N -1 3 355.743 4.807 20 0 FJADHM O=C([N-]c1nncs1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000059376341 205281159 /nfs/dbraw/zinc/28/11/59/205281159.db2.gz FUIRIJJNLOKADB-UHFFFAOYSA-N -1 3 356.259 4.826 20 0 FJADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc3c(s2)CCCCC3)c(F)c1F ZINC000461100754 567873320 /nfs/dbraw/zinc/87/33/20/567873320.db2.gz RHEUWKHFWLDTAK-UHFFFAOYSA-N -1 3 367.392 4.889 20 0 FJADHM CC(C)c1ccc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000051467883 567978951 /nfs/dbraw/zinc/97/89/51/567978951.db2.gz DTFGDPXWNRAEIK-KNQAVFIVSA-N -1 3 367.489 4.756 20 0 FJADHM CCc1ccc([O-])c(C(=O)N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)c1 ZINC000522758466 568053566 /nfs/dbraw/zinc/05/35/66/568053566.db2.gz CFVIOZDYZSXEBJ-UHFFFAOYSA-N -1 3 360.457 4.674 20 0 FJADHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(C(C)C)cc1C(C)C ZINC000604431709 568286153 /nfs/dbraw/zinc/28/61/53/568286153.db2.gz XZMVWANROSDALZ-UHFFFAOYSA-N -1 3 374.506 4.816 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)Cc2csc(Cc3ccccc3)n2)c1[O-] ZINC000604901616 568384824 /nfs/dbraw/zinc/38/48/24/568384824.db2.gz MERJBHFNRPOJFC-UHFFFAOYSA-N -1 3 372.877 4.583 20 0 FJADHM Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)cc(C)c3[O-])cs2)cc1 ZINC000604902180 568385072 /nfs/dbraw/zinc/38/50/72/568385072.db2.gz RHXMAFGSVNZPOR-UHFFFAOYSA-N -1 3 372.877 4.967 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)c2cccc(OCc3cccnc3)c2)c1[O-] ZINC000604902044 568385115 /nfs/dbraw/zinc/38/51/15/568385115.db2.gz XZUMQOYUVFOALL-UHFFFAOYSA-N -1 3 368.820 4.580 20 0 FJADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000604932806 568395292 /nfs/dbraw/zinc/39/52/92/568395292.db2.gz PJDIDXOGKQRFTJ-SNVBAGLBSA-N -1 3 366.368 4.619 20 0 FJADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)c1ccc(-c2ccccc2)cc1 ZINC000604933214 568395467 /nfs/dbraw/zinc/39/54/67/568395467.db2.gz MRPCMAMBUNGUGR-UHFFFAOYSA-N -1 3 372.453 4.509 20 0 FJADHM CCCC[C@@H](CC)CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000604939459 568404114 /nfs/dbraw/zinc/40/41/14/568404114.db2.gz MTNAPDJVQWSZJD-OAHLLOKOSA-N -1 3 355.482 4.957 20 0 FJADHM C[C@@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)c1ccccc1 ZINC000007285362 568490000 /nfs/dbraw/zinc/49/00/00/568490000.db2.gz TWVAPJFMIPKUIQ-CQSZACIVSA-N -1 3 361.470 4.502 20 0 FJADHM O=C([N-]c1nc2ccsc2s1)c1cc(-c2ccccc2Cl)on1 ZINC000605117431 568573150 /nfs/dbraw/zinc/57/31/50/568573150.db2.gz PEHMQJGNBVGPRD-UHFFFAOYSA-N -1 3 361.835 4.919 20 0 FJADHM [O-]c1ccc(CNc2ncnc3scc(-c4ccccc4)c32)cc1F ZINC000606156787 568676724 /nfs/dbraw/zinc/67/67/24/568676724.db2.gz UVFONALBGVPVCH-UHFFFAOYSA-N -1 3 351.406 4.815 20 0 FJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(F)c1 ZINC000007428129 210094361 /nfs/dbraw/zinc/09/43/61/210094361.db2.gz VSPBBWMWVNFHQS-UHFFFAOYSA-N -1 3 367.751 4.607 20 0 FJADHM COC(=O)c1ccsc1[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000108017130 206026168 /nfs/dbraw/zinc/02/61/68/206026168.db2.gz CGCRZDLUEOQPTD-UHFFFAOYSA-N -1 3 369.826 4.794 20 0 FJADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)cc1 ZINC000072038737 221398093 /nfs/dbraw/zinc/39/80/93/221398093.db2.gz RBSHLSRXCPVENR-GFCCVEGCSA-N -1 3 353.871 4.663 20 0 FJADHM CC(C)c1nn(C)c2sc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)cc12 ZINC000186331025 567907655 /nfs/dbraw/zinc/90/76/55/567907655.db2.gz TXUNXSKHDCKKTI-LBPRGKRZSA-N -1 3 369.490 4.618 20 0 FJADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc([O-])ccc1Cl ZINC000319654706 568236590 /nfs/dbraw/zinc/23/65/90/568236590.db2.gz PZZUSAGWGKUVIC-UHFFFAOYSA-N -1 3 350.123 4.970 20 0 FJADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cnc2onc(CC)c2c1 ZINC000303296524 568265173 /nfs/dbraw/zinc/26/51/73/568265173.db2.gz YAJFZWUUYPCCIL-UHFFFAOYSA-N -1 3 361.854 4.803 20 0 FJADHM C[C@@H]1CCN(Cc2c(Cl)cccc2Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000563133884 568269513 /nfs/dbraw/zinc/26/95/13/568269513.db2.gz PNQJIGKVJPDAGB-ZBFHGGJFSA-N -1 3 359.853 4.675 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)c2cc(F)cc(Br)c2)c1[O-] ZINC000604902059 568385080 /nfs/dbraw/zinc/38/50/80/568385080.db2.gz AYOOXRPQLLDIAL-UHFFFAOYSA-N -1 3 358.594 4.508 20 0 FJADHM Cc1c(Cl)c(CSc2n[n-]c(-c3ccccn3)n2)nc2ccccc12 ZINC000604932765 568395223 /nfs/dbraw/zinc/39/52/23/568395223.db2.gz KUJSBBMKLHNVFR-UHFFFAOYSA-N -1 3 367.865 4.669 20 0 FJADHM C[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000003583440 204106584 /nfs/dbraw/zinc/10/65/84/204106584.db2.gz NJSIVSZAYVERFW-GFCCVEGCSA-N -1 3 373.909 4.679 20 0 FJADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000064374608 205296961 /nfs/dbraw/zinc/29/69/61/205296961.db2.gz LVTRUIXEESEAGY-UHFFFAOYSA-N -1 3 373.861 4.816 20 0 FJADHM COc1cc(C(=O)Nc2ccccc2[O-])cc(Cl)c1OCCC(C)C ZINC000071814464 221379727 /nfs/dbraw/zinc/37/97/27/221379727.db2.gz IMUJCOIAGIIYJH-UHFFFAOYSA-N -1 3 363.841 4.731 20 0 FJADHM CC(C)c1nn(C)c2sc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)cc12 ZINC000186331006 567907609 /nfs/dbraw/zinc/90/76/09/567907609.db2.gz TXUNXSKHDCKKTI-GFCCVEGCSA-N -1 3 369.490 4.618 20 0 FJADHM Cc1nc(-c2cccs2)c(Cc2nc(-c3ccc([O-])cc3)no2)s1 ZINC000603631375 568127979 /nfs/dbraw/zinc/12/79/79/568127979.db2.gz OLCKJSOJZOWFHH-UHFFFAOYSA-N -1 3 355.444 4.526 20 0 FJADHM CCc1ccc([O-])c(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1 ZINC000604266190 568237459 /nfs/dbraw/zinc/23/74/59/568237459.db2.gz UHEZNBMRRZZHDZ-UHFFFAOYSA-N -1 3 372.534 4.728 20 0 FJADHM C[C@@H]1CCN(Cc2c(Cl)cccc2Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000563133877 568269452 /nfs/dbraw/zinc/26/94/52/568269452.db2.gz PNQJIGKVJPDAGB-GDBMZVCRSA-N -1 3 359.853 4.675 20 0 FJADHM C[C@H]1CCN(Cc2c(Cl)cccc2Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000563133882 568269544 /nfs/dbraw/zinc/26/95/44/568269544.db2.gz PNQJIGKVJPDAGB-GOEBONIOSA-N -1 3 359.853 4.675 20 0 FJADHM O=C([O-])CCC1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000314949158 568345728 /nfs/dbraw/zinc/34/57/28/568345728.db2.gz VINSZIKPVLMHAS-UHFFFAOYSA-N -1 3 362.322 4.662 20 0 FJADHM O=C([N-]c1nc(/C=C/c2ccccc2)cs1)c1cc(-c2cccnc2)on1 ZINC000604962972 568428565 /nfs/dbraw/zinc/42/85/65/568428565.db2.gz VDGCNWHXTPBOKK-CMDGGOBGSA-N -1 3 374.425 4.616 20 0 FJADHM O=C(Nc1nc2ccsc2s1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000605145506 568584349 /nfs/dbraw/zinc/58/43/49/568584349.db2.gz JDFDUEQZRAYRPY-UHFFFAOYSA-N -1 3 360.851 4.654 20 0 FJADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(F)c(Cl)c1 ZINC000016101635 204631016 /nfs/dbraw/zinc/63/10/16/204631016.db2.gz IZMDLSBLIQKZQJ-UHFFFAOYSA-N -1 3 354.617 4.587 20 0 FJADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(Br)cc2)c([O-])c1 ZINC000108056398 206026630 /nfs/dbraw/zinc/02/66/30/206026630.db2.gz JRHDERIJOWZTDH-UHFFFAOYSA-N -1 3 362.267 4.550 20 0 FJADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3csc(C(C)C)n3)s2)c1 ZINC000604263552 568237016 /nfs/dbraw/zinc/23/70/16/568237016.db2.gz MNWZBVGPZNDJQS-UHFFFAOYSA-N -1 3 358.492 4.654 20 0 FJADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000303339682 568266724 /nfs/dbraw/zinc/26/67/24/568266724.db2.gz CWGMWMSBPFMVEY-VXGBXAGGSA-N -1 3 355.743 4.807 20 0 FJADHM CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000604606373 568325647 /nfs/dbraw/zinc/32/56/47/568325647.db2.gz SZLNCSNVIGZAFV-LJQANCHMSA-N -1 3 354.494 4.643 20 0 FJADHM CCCC[C@H](CC)CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000604939458 568404067 /nfs/dbraw/zinc/40/40/67/568404067.db2.gz MTNAPDJVQWSZJD-HNNXBMFYSA-N -1 3 355.482 4.957 20 0 FJADHM CSc1ccccc1[N-]C(=O)c1csc(Cc2ccccc2F)n1 ZINC000605078189 568555677 /nfs/dbraw/zinc/55/56/77/568555677.db2.gz GNOKNCFMGSJHHU-UHFFFAOYSA-N -1 3 358.463 4.847 20 0 FJADHM CCc1nc(C)c(C(=O)[N-]c2cc(F)ccc2SCC(F)F)s1 ZINC000606220971 568735637 /nfs/dbraw/zinc/73/56/37/568735637.db2.gz VHKRVNSLZAWRHK-UHFFFAOYSA-N -1 3 360.426 4.763 20 0 FJADHM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000007403948 204297232 /nfs/dbraw/zinc/29/72/32/204297232.db2.gz XRVOTBWQYUUYPP-UHFFFAOYSA-N -1 3 350.654 4.756 20 0 FJADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F ZINC000058707491 205278899 /nfs/dbraw/zinc/27/88/99/205278899.db2.gz XCVIQWDBCVRCAE-UHFFFAOYSA-N -1 3 370.179 4.813 20 0 FJADHM CC[C@H](C)Sc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(C)c1 ZINC000109674174 206061422 /nfs/dbraw/zinc/06/14/22/206061422.db2.gz URJZRSPZIYZPHF-AWEZNQCLSA-N -1 3 366.486 4.979 20 0 FJADHM CC[C@H](C)Sc1ccc(NC(=O)c2cnc3ccccc3c2[O-])c(C)c1 ZINC000109674174 206061424 /nfs/dbraw/zinc/06/14/24/206061424.db2.gz URJZRSPZIYZPHF-AWEZNQCLSA-N -1 3 366.486 4.979 20 0 FJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c(Cl)c1 ZINC000006316290 206242303 /nfs/dbraw/zinc/24/23/03/206242303.db2.gz JLSYOULGEVTROD-UHFFFAOYSA-N -1 3 374.687 4.520 20 0 FJADHM O=c1[n-]c(CSc2nc3ccccc3s2)nc2c3ccccc3oc21 ZINC000104927908 222362839 /nfs/dbraw/zinc/36/28/39/222362839.db2.gz ARAVNKMLDGKYCJ-UHFFFAOYSA-N -1 3 365.439 4.571 20 0 FJADHM O=C([N-]c1c(F)cccc1F)c1csc(-c2ccc(Cl)cc2)n1 ZINC000105147301 222365332 /nfs/dbraw/zinc/36/53/32/222365332.db2.gz SULPADDLEQZLBW-UHFFFAOYSA-N -1 3 350.777 4.994 20 0 FJADHM Cc1c2cccc(Cl)c2oc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000106082041 222382771 /nfs/dbraw/zinc/38/27/71/222382771.db2.gz CIJQCCDJXWCUJF-UHFFFAOYSA-N -1 3 361.732 4.517 20 0 FJADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1cn[n-]c1-c1ccsc1 ZINC000186555622 567941070 /nfs/dbraw/zinc/94/10/70/567941070.db2.gz MOYXXRVFGGGLHD-UHFFFAOYSA-N -1 3 355.316 4.548 20 0 FJADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1c[n-]nc1-c1ccsc1 ZINC000186555622 567941071 /nfs/dbraw/zinc/94/10/71/567941071.db2.gz MOYXXRVFGGGLHD-UHFFFAOYSA-N -1 3 355.316 4.548 20 0 FJADHM CCSCc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000604080890 568208868 /nfs/dbraw/zinc/20/88/68/568208868.db2.gz JUEJFUGDFCMIOU-UHFFFAOYSA-N -1 3 366.280 4.660 20 0 FJADHM Cc1c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cnn1C1CCCCC1 ZINC000408268273 568239379 /nfs/dbraw/zinc/23/93/79/568239379.db2.gz LPAZNOYKUITQGS-CQSZACIVSA-N -1 3 353.466 4.556 20 0 FJADHM Cc1c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)sc2nccc(C)c12 ZINC000408268763 568241106 /nfs/dbraw/zinc/24/11/06/568241106.db2.gz OLGXKCVNJOSOQP-NSHDSACASA-N -1 3 352.459 4.773 20 0 FJADHM Cc1c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)sc2nccc(C)c12 ZINC000408268762 568241111 /nfs/dbraw/zinc/24/11/11/568241111.db2.gz OLGXKCVNJOSOQP-LLVKDONJSA-N -1 3 352.459 4.773 20 0 FJADHM CCCCCc1nnc([N-]C(=O)c2csc(-c3ccccc3C)n2)s1 ZINC000303114612 568253960 /nfs/dbraw/zinc/25/39/60/568253960.db2.gz CRBTUXGBGMGODK-UHFFFAOYSA-N -1 3 372.519 4.955 20 0 FJADHM CCOc1ccccc1OCCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000604901916 568384997 /nfs/dbraw/zinc/38/49/97/568384997.db2.gz FICDLUWYGBHCDV-UHFFFAOYSA-N -1 3 363.841 4.550 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)c2ccc(Oc3cccnc3)cc2)c1[O-] ZINC000604902100 568385119 /nfs/dbraw/zinc/38/51/19/568385119.db2.gz GLDDOPOKOUONSF-UHFFFAOYSA-N -1 3 354.793 4.794 20 0 FJADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000261369410 568454710 /nfs/dbraw/zinc/45/47/10/568454710.db2.gz OVUHVKPTQDIGHY-UHFFFAOYSA-N -1 3 363.379 4.506 20 0 FJADHM CCSc1nnc([N-]C(=O)c2cc3c(s2)-c2ccccc2CC3)s1 ZINC000007264205 568489116 /nfs/dbraw/zinc/48/91/16/568489116.db2.gz AHWSMESMPKWMGB-UHFFFAOYSA-N -1 3 373.528 4.730 20 0 FJADHM O=C([N-]c1cc(F)c(F)cc1F)c1csc(Cc2ccccc2F)n1 ZINC000605091469 568561675 /nfs/dbraw/zinc/56/16/75/568561675.db2.gz ZAAXMIDGACVJLY-UHFFFAOYSA-N -1 3 366.339 4.543 20 0 FJADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc4cc(F)ccc4o3)s2)c1 ZINC000605095003 568562958 /nfs/dbraw/zinc/56/29/58/568562958.db2.gz PYQGDOVGQFORKF-UHFFFAOYSA-N -1 3 367.405 4.960 20 0 FJADHM O=C([N-]c1nc2ccsc2s1)c1cc(-c2ccc(Cl)s2)on1 ZINC000605145665 568584344 /nfs/dbraw/zinc/58/43/44/568584344.db2.gz YYYMILJNOPSIAQ-UHFFFAOYSA-N -1 3 367.864 4.980 20 0 FJADHM CC(C)c1nnc([N-]C(=O)c2c(Cl)ccc(Cl)c2Cl)s1 ZINC000005523032 204212920 /nfs/dbraw/zinc/21/29/20/204212920.db2.gz OHSBEVDUYXVSHA-UHFFFAOYSA-N -1 3 350.658 4.874 20 0 FJADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1cn[n-]c1-c1ccsc1 ZINC000186846241 567991850 /nfs/dbraw/zinc/99/18/50/567991850.db2.gz OERWLEJZZUPVHO-UHFFFAOYSA-N -1 3 362.414 4.578 20 0 FJADHM O=C(Nc1cccc(Oc2ccncc2)c1)c1c[n-]nc1-c1ccsc1 ZINC000186846241 567991851 /nfs/dbraw/zinc/99/18/51/567991851.db2.gz OERWLEJZZUPVHO-UHFFFAOYSA-N -1 3 362.414 4.578 20 0 FJADHM CCSCc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3Cl)n2)cc1 ZINC000604085136 568209570 /nfs/dbraw/zinc/20/95/70/568209570.db2.gz UFTGROKYTVLPFT-UHFFFAOYSA-N -1 3 372.881 4.631 20 0 FJADHM C[C@H]1CCN(Cc2c(Cl)cccc2Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000563133883 568269532 /nfs/dbraw/zinc/26/95/32/568269532.db2.gz PNQJIGKVJPDAGB-HOCLYGCPSA-N -1 3 359.853 4.675 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)Cc2c(C)nc3ccccc3c2C)c1[O-] ZINC000604901790 568384971 /nfs/dbraw/zinc/38/49/71/568384971.db2.gz NOAJUDWIGBTBSY-UHFFFAOYSA-N -1 3 354.837 4.700 20 0 FJADHM COc1ccccc1-c1nc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cs1 ZINC000604902021 568385082 /nfs/dbraw/zinc/38/50/82/568385082.db2.gz VQIZNPKFQIMWAQ-UHFFFAOYSA-N -1 3 374.849 4.738 20 0 FJADHM O=C([N-]c1nc(/C=C\c2ccccc2)cs1)c1cc(-c2cccnc2)on1 ZINC000604962973 568428493 /nfs/dbraw/zinc/42/84/93/568428493.db2.gz VDGCNWHXTPBOKK-HJWRWDBZSA-N -1 3 374.425 4.616 20 0 FJADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1c(Cl)cc(F)cc1Cl ZINC000365420856 568648192 /nfs/dbraw/zinc/64/81/92/568648192.db2.gz HINVENBMSPDENZ-UHFFFAOYSA-N -1 3 374.249 4.965 20 0 FJADHM CCCCCc1nnc([N-]C(=O)c2csc(-c3ccccc3)n2)s1 ZINC000017345662 220215515 /nfs/dbraw/zinc/21/55/15/220215515.db2.gz JRMQMFYODDMKNZ-UHFFFAOYSA-N -1 3 358.492 4.647 20 0 FJADHM O=C([N-]c1ncc(-c2ccc(Cl)cc2)s1)c1nc2cccnc2s1 ZINC000461106903 567984112 /nfs/dbraw/zinc/98/41/12/567984112.db2.gz HSAZJIBQIXROLS-UHFFFAOYSA-N -1 3 372.862 4.721 20 0 FJADHM CCc1ccc([O-])c(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000522759842 568062854 /nfs/dbraw/zinc/06/28/54/568062854.db2.gz XHIKMPXONJTEFV-UHFFFAOYSA-N -1 3 364.420 4.505 20 0 FJADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000030953782 568314907 /nfs/dbraw/zinc/31/49/07/568314907.db2.gz WCRSLWITIWMDGE-UHFFFAOYSA-N -1 3 370.179 4.813 20 0 FJADHM CC(C)(C)[C@H](CC1CCCCC1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000604606372 568325658 /nfs/dbraw/zinc/32/56/58/568325658.db2.gz SZLNCSNVIGZAFV-IBGZPJMESA-N -1 3 354.494 4.643 20 0 FJADHM Cc1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)ccc1C(F)(F)F ZINC000647746269 568358011 /nfs/dbraw/zinc/35/80/11/568358011.db2.gz RZTDYHKZFLLREX-UHFFFAOYSA-N -1 3 363.257 4.991 20 0 FJADHM CC(C)Oc1ccccc1[C@H](C)NCc1cccc([O-])c1Br ZINC000315193083 568384579 /nfs/dbraw/zinc/38/45/79/568384579.db2.gz KWRBUVQYPKEDEC-ZDUSSCGKSA-N -1 3 364.283 4.793 20 0 FJADHM Cc1cccc(-c2nc(CC(=O)Nc3cc(Cl)cc(C)c3[O-])cs2)c1 ZINC000604902063 568385084 /nfs/dbraw/zinc/38/50/84/568385084.db2.gz BZNKHGRSLWVQOZ-UHFFFAOYSA-N -1 3 372.877 4.967 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)c2ccc(Br)cc2F)c1[O-] ZINC000604902223 568385123 /nfs/dbraw/zinc/38/51/23/568385123.db2.gz ZEWBNKNOXDSVGD-UHFFFAOYSA-N -1 3 358.594 4.508 20 0 FJADHM CC(C)c1cc([N-]C(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)on1 ZINC000609488515 568410743 /nfs/dbraw/zinc/41/07/43/568410743.db2.gz RWXMUIOPHHVZAT-HNNXBMFYSA-N -1 3 350.418 4.871 20 0 FJADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1csc(C2CC2)n1 ZINC000606221015 568735534 /nfs/dbraw/zinc/73/55/34/568735534.db2.gz ZDDJWOPABITQHQ-UHFFFAOYSA-N -1 3 358.410 4.769 20 0 FJADHM O=C(Nc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1)c1ccccc1 ZINC000109127327 209298024 /nfs/dbraw/zinc/29/80/24/209298024.db2.gz DNXPBAWNXWGSFI-UHFFFAOYSA-N -1 3 366.804 4.550 20 0 FJADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)cc1 ZINC000064374681 221146555 /nfs/dbraw/zinc/14/65/55/221146555.db2.gz RBSHLSRXCPVENR-LBPRGKRZSA-N -1 3 353.871 4.663 20 0 FJADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(F)cc1Cl ZINC000071848669 221382755 /nfs/dbraw/zinc/38/27/55/221382755.db2.gz AIACIZNHCRXNHK-UHFFFAOYSA-N -1 3 354.617 4.587 20 0 FJADHM CC(C)Oc1ccc(-c2nc(C(=O)Nc3ccccc3[O-])cs2)cc1 ZINC000072057759 221399928 /nfs/dbraw/zinc/39/99/28/221399928.db2.gz UKRYBIGIKRKDSJ-UHFFFAOYSA-N -1 3 354.431 4.555 20 0 FJADHM CC(C)c1ccc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC000051467881 567978955 /nfs/dbraw/zinc/97/89/55/567978955.db2.gz DTFGDPXWNRAEIK-DENIHFKCSA-N -1 3 367.489 4.756 20 0 FJADHM CC(C)c1ccc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000051467882 567978979 /nfs/dbraw/zinc/97/89/79/567978979.db2.gz DTFGDPXWNRAEIK-UGKGYDQZSA-N -1 3 367.489 4.756 20 0 FJADHM CC(C)c1cc(C(=O)[N-]c2nc3cc(C(F)(F)F)ccc3s2)on1 ZINC000603651822 568130924 /nfs/dbraw/zinc/13/09/24/568130924.db2.gz LBIJZLCTMJMOOK-UHFFFAOYSA-N -1 3 355.341 4.679 20 0 FJADHM Cc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c([O-])c1 ZINC000008378872 568307369 /nfs/dbraw/zinc/30/73/69/568307369.db2.gz NXTCFHPTJGJKJV-UHFFFAOYSA-N -1 3 360.624 4.678 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)c2ccc(Br)c(F)c2)c1[O-] ZINC000604902099 568385103 /nfs/dbraw/zinc/38/51/03/568385103.db2.gz GLBGDUGPODIYSH-UHFFFAOYSA-N -1 3 358.594 4.508 20 0 FJADHM COc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])ccc1OCC(C)C ZINC000604901958 568385107 /nfs/dbraw/zinc/38/51/07/568385107.db2.gz KNRQCBSPIWUULW-UHFFFAOYSA-N -1 3 363.841 4.650 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)c2ccc(OCC(F)(F)F)cc2)c1[O-] ZINC000604902165 568385129 /nfs/dbraw/zinc/38/51/29/568385129.db2.gz PVAJQKBOQAVDCT-UHFFFAOYSA-N -1 3 359.731 4.547 20 0 FJADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000604933075 568395234 /nfs/dbraw/zinc/39/52/34/568395234.db2.gz WCSJDIRWXQLQIE-ZDUSSCGKSA-N -1 3 366.490 4.528 20 0 FJADHM CC(C)c1cc([N-]C(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)on1 ZINC000609488516 568410791 /nfs/dbraw/zinc/41/07/91/568410791.db2.gz RWXMUIOPHHVZAT-OAHLLOKOSA-N -1 3 350.418 4.871 20 0 FJADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2ccco2)[n-]n1 ZINC000604990223 568509287 /nfs/dbraw/zinc/50/92/87/568509287.db2.gz JBVQKAJCFGUKGQ-CMDGGOBGSA-N -1 3 362.414 4.549 20 0 FJADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2ccco2)n[n-]1 ZINC000604990223 568509289 /nfs/dbraw/zinc/50/92/89/568509289.db2.gz JBVQKAJCFGUKGQ-CMDGGOBGSA-N -1 3 362.414 4.549 20 0 FJADHM Cc1ccc2[nH]c(SCc3nc4c5ccccc5oc4c(=O)[n-]3)nc2c1 ZINC000061125014 221133567 /nfs/dbraw/zinc/13/35/67/221133567.db2.gz LDFRTYMRBQCJTR-UHFFFAOYSA-N -1 3 362.414 4.559 20 0 FJADHM Cc1ccc2nc(SCc3nc4c5ccccc5oc4c(=O)[n-]3)[nH]c2c1 ZINC000061125014 221133568 /nfs/dbraw/zinc/13/35/68/221133568.db2.gz LDFRTYMRBQCJTR-UHFFFAOYSA-N -1 3 362.414 4.559 20 0 FJADHM Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000105649364 222372642 /nfs/dbraw/zinc/37/26/42/222372642.db2.gz HXUJBOGZCLZJLD-UHFFFAOYSA-N -1 3 365.816 4.837 20 0 FJADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc2oc3ccccc3c2c1 ZINC000521414587 567951821 /nfs/dbraw/zinc/95/18/21/567951821.db2.gz VTEGXUHCMDUMOX-UHFFFAOYSA-N -1 3 359.353 4.665 20 0 FJADHM Cc1noc(C)c1[N-]C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000522783089 568179000 /nfs/dbraw/zinc/17/90/00/568179000.db2.gz JUSOJKGWMYTVGJ-UHFFFAOYSA-N -1 3 368.245 4.974 20 0 FJADHM Cc1sc2[n-]c(CSCc3ccco3)nc(=O)c2c1-c1ccccc1 ZINC000043841432 568230899 /nfs/dbraw/zinc/23/08/99/568230899.db2.gz HXFRLTZOXCIYQV-UHFFFAOYSA-N -1 3 368.483 4.986 20 0 FJADHM CCOc1c(Cl)cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1OC ZINC000604901942 568385009 /nfs/dbraw/zinc/38/50/09/568385009.db2.gz IHPXQYSJHKZYGF-UHFFFAOYSA-N -1 3 370.232 4.667 20 0 FJADHM CCSc1nnc([N-]C(=O)c2sccc2-c2ccc(C)cc2)s1 ZINC000005404784 568387890 /nfs/dbraw/zinc/38/78/90/568387890.db2.gz YAURIMCBJOCNFB-UHFFFAOYSA-N -1 3 361.517 4.939 20 0 FJADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000604932805 568395289 /nfs/dbraw/zinc/39/52/89/568395289.db2.gz PJDIDXOGKQRFTJ-JTQLQIEISA-N -1 3 366.368 4.619 20 0 FJADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1C ZINC000604972205 568464645 /nfs/dbraw/zinc/46/46/45/568464645.db2.gz FOBKVDPHLAYHRK-UHFFFAOYSA-N -1 3 367.470 4.683 20 0 FJADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c(Cl)c1 ZINC000028196334 568527785 /nfs/dbraw/zinc/52/77/85/568527785.db2.gz ULYZADJLPKWIFO-UHFFFAOYSA-N -1 3 374.687 4.520 20 0 FJADHM O=c1nc(CSc2cccc(O)c2)[n-]c2scc(-c3ccccc3)c21 ZINC000185712251 567857513 /nfs/dbraw/zinc/85/75/13/567857513.db2.gz RVRQBYKIHRSBLU-UHFFFAOYSA-N -1 3 366.467 4.650 20 0 FJADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000301493016 568055177 /nfs/dbraw/zinc/05/51/77/568055177.db2.gz ULHODPAFXOKYES-UHFFFAOYSA-N -1 3 372.534 4.694 20 0 FJADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(Cl)ccc3F)s2)c1 ZINC000604264683 568237221 /nfs/dbraw/zinc/23/72/21/568237221.db2.gz VBXHSLVGVSDMLA-UHFFFAOYSA-N -1 3 361.829 4.867 20 0 FJADHM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000604406048 568296280 /nfs/dbraw/zinc/29/62/80/568296280.db2.gz QFYHSXJRIFTHBJ-UHFFFAOYSA-N -1 3 370.257 4.527 20 0 FJADHM Cc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1C(F)(F)F ZINC000647746147 568355281 /nfs/dbraw/zinc/35/52/81/568355281.db2.gz MQCWARBYRFVQNX-UHFFFAOYSA-N -1 3 351.353 4.718 20 0 FJADHM Cc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1C(F)(F)F ZINC000647746147 568355282 /nfs/dbraw/zinc/35/52/82/568355282.db2.gz MQCWARBYRFVQNX-UHFFFAOYSA-N -1 3 351.353 4.718 20 0 FJADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(C)cc1Br ZINC000604858914 568378933 /nfs/dbraw/zinc/37/89/33/568378933.db2.gz VDQGSZGKUFGRLS-UHFFFAOYSA-N -1 3 374.687 4.520 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)CCc2cc(Br)cs2)c1[O-] ZINC000604902200 568385046 /nfs/dbraw/zinc/38/50/46/568385046.db2.gz VOCQAIZSGTUHDL-UHFFFAOYSA-N -1 3 374.687 4.749 20 0 FJADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000604933074 568395262 /nfs/dbraw/zinc/39/52/62/568395262.db2.gz WCSJDIRWXQLQIE-CYBMUJFWSA-N -1 3 366.490 4.528 20 0 FJADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2C)c1 ZINC000604972341 568464696 /nfs/dbraw/zinc/46/46/96/568464696.db2.gz QFPHRMWHFSFPPD-UHFFFAOYSA-N -1 3 367.470 4.683 20 0 FJADHM Cc1ccc(-c2nnc([N-]C(=O)c3cc4cc(F)ccc4o3)s2)c(C)c1 ZINC000605088191 568567259 /nfs/dbraw/zinc/56/72/59/568567259.db2.gz ZMKBZNMBMDEHLL-UHFFFAOYSA-N -1 3 367.405 4.960 20 0 FJADHM Cc1nc([N-]C(=O)c2cc(-c3ccco3)on2)sc1Cc1ccccc1 ZINC000618174405 568578474 /nfs/dbraw/zinc/57/84/74/568578474.db2.gz AWUMYIRQLLTGCE-UHFFFAOYSA-N -1 3 365.414 4.543 20 0 FJADHM CC(C)c1c(C(=O)Nc2ccccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000030603210 208002393 /nfs/dbraw/zinc/00/23/93/208002393.db2.gz OEBIXJQAOUTMCC-UHFFFAOYSA-N -1 3 355.825 4.607 20 0 FJADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(F)c(Cl)cc1Cl ZINC000072001703 221395372 /nfs/dbraw/zinc/39/53/72/221395372.db2.gz MCWHYQXTSUKNFH-UHFFFAOYSA-N -1 3 374.249 4.965 20 0 FJADHM CC(C)c1ccc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC000051467880 567978914 /nfs/dbraw/zinc/97/89/14/567978914.db2.gz DTFGDPXWNRAEIK-SIKLNZKXSA-N -1 3 367.489 4.756 20 0 FJADHM Cc1c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cnn1C1CCCCC1 ZINC000408268272 568239345 /nfs/dbraw/zinc/23/93/45/568239345.db2.gz LPAZNOYKUITQGS-AWEZNQCLSA-N -1 3 353.466 4.556 20 0 FJADHM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C)cc3[O-])cc12 ZINC000008378858 568307419 /nfs/dbraw/zinc/30/74/19/568307419.db2.gz YIFVIHNKSWYVTL-UHFFFAOYSA-N -1 3 363.442 4.662 20 0 FJADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000647743513 568310617 /nfs/dbraw/zinc/31/06/17/568310617.db2.gz WXNATSOGFGQXKR-UHFFFAOYSA-N -1 3 368.264 4.656 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)Cc2csc(-c3ccccc3)n2)c1[O-] ZINC000604902204 568385097 /nfs/dbraw/zinc/38/50/97/568385097.db2.gz VXRLBKBPLONLAI-UHFFFAOYSA-N -1 3 358.850 4.659 20 0 FJADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc2cc(F)ccc2o1 ZINC000605090605 568568465 /nfs/dbraw/zinc/56/84/65/568568465.db2.gz XDHMRLHYIIAUOZ-UHFFFAOYSA-N -1 3 373.796 4.996 20 0 FJADHM Cc1ccc(-n2cc(C(=O)Nc3ccccc3[O-])c(-c3ccccc3)n2)cc1 ZINC000105324995 209265555 /nfs/dbraw/zinc/26/55/55/209265555.db2.gz OIXGPXGFPGRNEG-UHFFFAOYSA-N -1 3 369.424 4.806 20 0 FJADHM O=C(Nc1nc2c(s1)CCCCC2)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000012830066 220035139 /nfs/dbraw/zinc/03/51/39/220035139.db2.gz OXDYNZXUTVQZNE-UHFFFAOYSA-N -1 3 372.881 4.708 20 0 FJADHM O=C(Nc1nc2c(s1)CCCCC2)c1cn[n-]c1-c1ccc(Cl)cc1 ZINC000012830066 220035144 /nfs/dbraw/zinc/03/51/44/220035144.db2.gz OXDYNZXUTVQZNE-UHFFFAOYSA-N -1 3 372.881 4.708 20 0 FJADHM Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4[O-])cc3)o2)c1 ZINC000030891407 208008314 /nfs/dbraw/zinc/00/83/14/208008314.db2.gz BFAKJAFIIMPQBJ-UHFFFAOYSA-N -1 3 371.396 4.670 20 0 FJADHM CC(C)Oc1ccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cc1 ZINC000059419386 221126097 /nfs/dbraw/zinc/12/60/97/221126097.db2.gz AWBVPZQACZDVMH-UHFFFAOYSA-N -1 3 355.825 4.770 20 0 FJADHM Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c([O-])c1 ZINC000105818787 222375884 /nfs/dbraw/zinc/37/58/84/222375884.db2.gz SJCNMALXXBGTTR-UHFFFAOYSA-N -1 3 369.852 4.915 20 0 FJADHM O=c1[n-]c(C(F)(F)c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000521419741 567976761 /nfs/dbraw/zinc/97/67/61/567976761.db2.gz XWRGVFWDOLAXEL-UHFFFAOYSA-N -1 3 358.241 4.633 20 0 FJADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ncccc1Br ZINC000193166235 567985058 /nfs/dbraw/zinc/98/50/58/567985058.db2.gz RMKXHJZLAYQTEA-UHFFFAOYSA-N -1 3 371.687 4.862 20 0 FJADHM O=C(Nc1ccccc1Cl)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186930908 568015767 /nfs/dbraw/zinc/01/57/67/568015767.db2.gz VELAVUBTANPOBX-UHFFFAOYSA-N -1 3 351.789 4.529 20 0 FJADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000303339680 568266710 /nfs/dbraw/zinc/26/67/10/568266710.db2.gz CWGMWMSBPFMVEY-NWDGAFQWSA-N -1 3 355.743 4.807 20 0 FJADHM Cc1nc(-c2ccc(NC(=O)c3c[n-]nc3-c3ccccc3)cc2)oc1C ZINC000604901180 568384721 /nfs/dbraw/zinc/38/47/21/568384721.db2.gz MFVSJLAJKPCYMT-UHFFFAOYSA-N -1 3 358.401 4.601 20 0 FJADHM O=C([N-]c1nc2ccsc2s1)c1cc(-c2cccc(Cl)c2)on1 ZINC000605145676 568584332 /nfs/dbraw/zinc/58/43/32/568584332.db2.gz ZWZILPDWPUJTCW-UHFFFAOYSA-N -1 3 361.835 4.919 20 0 FJADHM CC[C@@H](C)Sc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(C)c1 ZINC000109674170 209309818 /nfs/dbraw/zinc/30/98/18/209309818.db2.gz URJZRSPZIYZPHF-CQSZACIVSA-N -1 3 366.486 4.979 20 0 FJADHM CC[C@@H](C)Sc1ccc(NC(=O)c2cnc3ccccc3c2[O-])c(C)c1 ZINC000109674170 209309820 /nfs/dbraw/zinc/30/98/20/209309820.db2.gz URJZRSPZIYZPHF-CQSZACIVSA-N -1 3 366.486 4.979 20 0 FJADHM Cc1nc(COc2ccccc2C(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000518795378 568051037 /nfs/dbraw/zinc/05/10/37/568051037.db2.gz JYLLELURLWMLEQ-UHFFFAOYSA-N -1 3 374.849 4.642 20 0 FJADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000016122035 568253080 /nfs/dbraw/zinc/25/30/80/568253080.db2.gz VKGOYBWZUOXGAA-OAHLLOKOSA-N -1 3 374.506 4.595 20 0 FJADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000303339681 568266713 /nfs/dbraw/zinc/26/67/13/568266713.db2.gz CWGMWMSBPFMVEY-RYUDHWBXSA-N -1 3 355.743 4.807 20 0 FJADHM O=C(CCCc1ccc(Br)s1)Nc1cc(Cl)ccc1[O-] ZINC000518796742 568301071 /nfs/dbraw/zinc/30/10/71/568301071.db2.gz XISZNBXKZFFUKG-UHFFFAOYSA-N -1 3 374.687 4.831 20 0 FJADHM CC(C)Oc1ccccc1[C@@H](C)NCc1cccc([O-])c1Br ZINC000315193082 568384597 /nfs/dbraw/zinc/38/45/97/568384597.db2.gz KWRBUVQYPKEDEC-CYBMUJFWSA-N -1 3 364.283 4.793 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)c2ccc(OCc3cccnc3)cc2)c1[O-] ZINC000604902201 568385111 /nfs/dbraw/zinc/38/51/11/568385111.db2.gz VVINOJCKXMZXGM-UHFFFAOYSA-N -1 3 368.820 4.580 20 0 FJADHM Cc1cc(Cl)cc(NC(=O)Cc2csc(-c3cccs3)n2)c1[O-] ZINC000604901978 568385113 /nfs/dbraw/zinc/38/51/13/568385113.db2.gz ODZANYZBSYYJBL-UHFFFAOYSA-N -1 3 364.879 4.720 20 0 FJADHM Cc1ccc2oc(C(=O)[N-]c3cc(F)ccc3SCC(F)F)cc2n1 ZINC000606221158 568735810 /nfs/dbraw/zinc/73/58/10/568735810.db2.gz MJBIMJIVQMMJLU-UHFFFAOYSA-N -1 3 366.364 4.885 20 0 FJADHM CC(C)(C)[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000108850368 209293742 /nfs/dbraw/zinc/29/37/42/209293742.db2.gz XVWYRLMDSNRMCK-FQEVSTJZSA-N -1 3 361.445 4.546 20 0 FJADHM O=C(Nc1cccc(Nc2ccccc2)c1)c1c[n-]c2ccccc2c1=O ZINC000603874065 568174690 /nfs/dbraw/zinc/17/46/90/568174690.db2.gz GVNHFNVHAOUACM-UHFFFAOYSA-N -1 3 355.397 4.524 20 0 FJADHM O=C(Nc1cccc(Nc2ccccc2)c1)c1cnc2ccccc2c1[O-] ZINC000603874065 568174691 /nfs/dbraw/zinc/17/46/91/568174691.db2.gz GVNHFNVHAOUACM-UHFFFAOYSA-N -1 3 355.397 4.524 20 0 FJADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000303187927 568256305 /nfs/dbraw/zinc/25/63/05/568256305.db2.gz LWZMBQVBAXMSOM-UHFFFAOYSA-N -1 3 367.751 4.607 20 0 FJADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2ccco2)[n-]n1 ZINC000604990224 568509334 /nfs/dbraw/zinc/50/93/34/568509334.db2.gz JBVQKAJCFGUKGQ-HJWRWDBZSA-N -1 3 362.414 4.549 20 0 FJADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1cc(-c2ccco2)n[n-]1 ZINC000604990224 568509336 /nfs/dbraw/zinc/50/93/36/568509336.db2.gz JBVQKAJCFGUKGQ-HJWRWDBZSA-N -1 3 362.414 4.549 20 0 FJADHM