smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(=O)c2c(O)c(OC)c3c4c2c1c1c(OC)cc(=O)c2c(O)c(OC)c(c4c21)C(C(C)=O)=C(C)C3 ZINC000000689953 551527320 /nfs/dbraw/zinc/52/73/20/551527320.db2.gz APTUSGMALOMQQL-UHFFFAOYSA-N 0 2 528.513 4.260 40 30 biogenic,in-vitro KIEBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000001100993 551608652 /nfs/dbraw/zinc/60/86/52/551608652.db2.gz BYIAYSWWMNIPSS-GRSHGNNSSA-N 0 2 514.563 4.301 40 30 KIEBLN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000005824229 552510389 /nfs/dbraw/zinc/51/03/89/552510389.db2.gz ILJMWWAUQNNSAA-HZNYNTJASA-N 0 2 575.687 4.242 40 30 KIEBLN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@H](C[NH+]1CCOCC1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000005824230 552510361 /nfs/dbraw/zinc/51/03/61/552510361.db2.gz ILJMWWAUQNNSAA-SZTWMWKJSA-N 0 2 575.687 4.242 40 30 KIEBLN C=CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000006906500 552978414 /nfs/dbraw/zinc/97/84/14/552978414.db2.gz JHPYRYQOOGZRDU-OVCLIPMQSA-N 0 2 583.176 4.294 40 30 KIEBLN Cc1cccc(C)c1N1C(=O)C(=O)[C@@H](c2nc3ccccc3s2)C(=Nc2cccc3c(=O)[nH][nH]c(=O)c23)C1=O ZINC000008655798 553108629 /nfs/dbraw/zinc/10/86/29/553108629.db2.gz NIJZYFRBIFCUDS-QZNLULDUSA-N 0 2 537.557 4.266 40 30 KIEBLN Cc1cccc(C)c1N1C(=O)C(=O)[C@H](c2nc3ccccc3s2)C(=Nc2cccc3c(=O)[nH][nH]c(=O)c23)C1=O ZINC000008655800 553108682 /nfs/dbraw/zinc/10/86/82/553108682.db2.gz NIJZYFRBIFCUDS-GCZLHHFBSA-N 0 2 537.557 4.266 40 30 KIEBLN Cc1ccc(C)c(N2C(=O)C(=O)[C@@H](c3nc4ccccc4s3)C(=Nc3cccc4c(=O)[nH][nH]c(=O)c34)C2=O)c1 ZINC000008655858 553108695 /nfs/dbraw/zinc/10/86/95/553108695.db2.gz YCNXHSFIIYQBPS-DEYIMBDLSA-N 0 2 537.557 4.266 40 30 KIEBLN Cc1ccc(C)c(N2C(=O)C(=O)[C@H](c3nc4ccccc4s3)C(=Nc3cccc4c(=O)[nH][nH]c(=O)c34)C2=O)c1 ZINC000008655860 553108596 /nfs/dbraw/zinc/10/85/96/553108596.db2.gz YCNXHSFIIYQBPS-XLQWAHJQSA-N 0 2 537.557 4.266 40 30 KIEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 ZINC000008834205 553160863 /nfs/dbraw/zinc/16/08/63/553160863.db2.gz VUYCAJGOFLOGFF-RTGZZVAKSA-N 0 2 513.572 4.056 40 30 KIEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 ZINC000008834206 553160832 /nfs/dbraw/zinc/16/08/32/553160832.db2.gz VUYCAJGOFLOGFF-BPMVYWJCSA-N 0 2 513.572 4.056 40 30 KIEBLN COc1cccc(NC(=O)C[C@H]2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(c3ccccc3)C2=O)c1 ZINC000008834207 553160884 /nfs/dbraw/zinc/16/08/84/553160884.db2.gz AIRPMPWODVHQDE-RTGZZVAKSA-N 0 2 513.572 4.056 40 30 KIEBLN COc1cccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(c3ccccc3)C2=O)c1 ZINC000008834208 553160838 /nfs/dbraw/zinc/16/08/38/553160838.db2.gz AIRPMPWODVHQDE-BPMVYWJCSA-N 0 2 513.572 4.056 40 30 KIEBLN CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 ZINC000008834251 553160851 /nfs/dbraw/zinc/16/08/51/553160851.db2.gz ZMXSXKWNSAOLCU-GYRUEZOASA-N 0 2 523.636 4.480 40 30 KIEBLN CCc1ccc(S(=O)(=O)/N=C2/S[C@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 ZINC000008834252 553160873 /nfs/dbraw/zinc/16/08/73/553160873.db2.gz ZMXSXKWNSAOLCU-ZKZPFDSASA-N 0 2 523.636 4.480 40 30 KIEBLN CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2c2ccccc2)cc1 ZINC000008834253 553160875 /nfs/dbraw/zinc/16/08/75/553160875.db2.gz FVYZBOPGDRLZHB-GYRUEZOASA-N 0 2 523.636 4.480 40 30 KIEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 ZINC000012042557 553350623 /nfs/dbraw/zinc/35/06/23/553350623.db2.gz MINCAPYYYLZMMK-GOTSBPSXSA-N 0 2 509.609 4.226 40 30 KIEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 ZINC000012042558 553350620 /nfs/dbraw/zinc/35/06/20/553350620.db2.gz MINCAPYYYLZMMK-SIHNDCSESA-N 0 2 509.609 4.226 40 30 KIEBLN COc1cccc(NC(=O)C[C@@H]2S/C(=N\S(=O)(=O)c3ccc(C)cc3)N(c3ccccc3)C2=O)c1 ZINC000012042560 553350684 /nfs/dbraw/zinc/35/06/84/553350684.db2.gz YVTSQPYWBHZMJJ-YMVPSHTBSA-N 0 2 509.609 4.226 40 30 KIEBLN COc1cccc(NC(=O)C[C@H]2S/C(=N\S(=O)(=O)c3ccc(C)cc3)N(c3ccccc3)C2=O)c1 ZINC000012042562 553350606 /nfs/dbraw/zinc/35/06/06/553350606.db2.gz YVTSQPYWBHZMJJ-MCMRFMRISA-N 0 2 509.609 4.226 40 30 KIEBLN CCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(OC)cc2)cc1OC ZINC000012529139 553385211 /nfs/dbraw/zinc/38/52/11/553385211.db2.gz CKXVYQQWFMEATB-BUVRLJJBSA-N 0 2 500.533 4.258 40 30 KIEBLN COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(C)cc2C)c(OC)c1OC ZINC000012532478 553386759 /nfs/dbraw/zinc/38/67/59/553386759.db2.gz FATRPXRDUSRBNT-AFUMVMLFSA-N 0 2 514.560 4.484 40 30 KIEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1 ZINC000012561289 553394568 /nfs/dbraw/zinc/39/45/68/553394568.db2.gz GVWCBSSZKBLLPZ-YZSQISJMSA-N 0 2 506.544 4.426 40 30 KIEBLN COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)cc1 ZINC000012621765 553403698 /nfs/dbraw/zinc/40/36/98/553403698.db2.gz ZTLIXCMZKQMOEW-VHAJSEAWSA-N 0 2 510.528 4.366 40 30 KIEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)cc1 ZINC000012621765 553403697 /nfs/dbraw/zinc/40/36/97/553403697.db2.gz ZTLIXCMZKQMOEW-VHAJSEAWSA-N 0 2 510.528 4.366 40 30 KIEBLN COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)cc1 ZINC000012621767 553403704 /nfs/dbraw/zinc/40/37/04/553403704.db2.gz ZTLIXCMZKQMOEW-AGHKFTSRSA-N 0 2 510.528 4.366 40 30 KIEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)cc1 ZINC000012621767 553403703 /nfs/dbraw/zinc/40/37/03/553403703.db2.gz ZTLIXCMZKQMOEW-AGHKFTSRSA-N 0 2 510.528 4.366 40 30 KIEBLN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)cc(OC)c1O ZINC000012621834 553403920 /nfs/dbraw/zinc/40/39/20/553403920.db2.gz LIKPGEKMNBAWPH-FSJBWODESA-N 0 2 506.924 4.218 40 30 KIEBLN COc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1CCc1ccccn1 ZINC000012650470 553409580 /nfs/dbraw/zinc/40/95/80/553409580.db2.gz ZGIYADKYLZDRFJ-XOFWUJAUSA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccccc1/N=C1\SC(CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1CCc1ccccn1 ZINC000012650470 553409578 /nfs/dbraw/zinc/40/95/78/553409578.db2.gz ZGIYADKYLZDRFJ-XOFWUJAUSA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1CCc1ccccn1 ZINC000012650474 553409557 /nfs/dbraw/zinc/40/95/57/553409557.db2.gz ZGIYADKYLZDRFJ-AOKXBXCXSA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccccc1/N=C1\SC(CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1CCc1ccccn1 ZINC000012650474 553409555 /nfs/dbraw/zinc/40/95/55/553409555.db2.gz ZGIYADKYLZDRFJ-AOKXBXCXSA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccccc1NS(=O)(=O)c1cc(N=NC(C(C)=O)C(=O)Nc2ccc(Cl)cc2)ccc1C ZINC000013146072 553455142 /nfs/dbraw/zinc/45/51/42/553455142.db2.gz WKIIOBVVAJAMJQ-WEMUOSSPSA-N 0 2 514.991 4.453 40 30 KIEBLN O=C(c1ccc(F)cc1)C1=C2C(=O)N(c3ccccc3)C(=O)N2c2nnnn2C1c1ccc(Cl)cc1 ZINC000015083635 553527853 /nfs/dbraw/zinc/52/78/53/553527853.db2.gz GQUWFMOLFQYWSE-HXUWFJFHSA-N 0 2 500.877 4.179 40 30 KIEBLN O=C(c1ccc(F)cc1)C1=C2C(=O)N(c3ccccc3)C(=O)N2c2nnnn2[C@@H]1c1ccc(Cl)cc1 ZINC000015083635 553527851 /nfs/dbraw/zinc/52/78/51/553527851.db2.gz GQUWFMOLFQYWSE-HXUWFJFHSA-N 0 2 500.877 4.179 40 30 KIEBLN O=C(c1ccc(F)cc1)C1=C2C(=O)N(c3ccccc3)C(=O)N2c2nnnn2C1c1ccc(Cl)cc1 ZINC000015083637 553527836 /nfs/dbraw/zinc/52/78/36/553527836.db2.gz GQUWFMOLFQYWSE-FQEVSTJZSA-N 0 2 500.877 4.179 40 30 KIEBLN O=C(c1ccc(F)cc1)C1=C2C(=O)N(c3ccccc3)C(=O)N2c2nnnn2[C@H]1c1ccc(Cl)cc1 ZINC000015083637 553527833 /nfs/dbraw/zinc/52/78/33/553527833.db2.gz GQUWFMOLFQYWSE-FQEVSTJZSA-N 0 2 500.877 4.179 40 30 KIEBLN COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)N(C[C@H]3CCCO3)C2=O)c1 ZINC000015910788 553540857 /nfs/dbraw/zinc/54/08/57/553540857.db2.gz HFEAFNNEIPBDFK-MMOPGJHNSA-N 0 2 504.008 4.497 40 30 KIEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(C[C@H]3CCCO3)C2=O)c1 ZINC000015910788 553540856 /nfs/dbraw/zinc/54/08/56/553540856.db2.gz HFEAFNNEIPBDFK-MMOPGJHNSA-N 0 2 504.008 4.497 40 30 KIEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)N(C[C@H]3CCCO3)C2=O)c1 ZINC000015910790 553540893 /nfs/dbraw/zinc/54/08/93/553540893.db2.gz HFEAFNNEIPBDFK-BVKOWVGQSA-N 0 2 504.008 4.497 40 30 KIEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(C[C@H]3CCCO3)C2=O)c1 ZINC000015910790 553540891 /nfs/dbraw/zinc/54/08/91/553540891.db2.gz HFEAFNNEIPBDFK-BVKOWVGQSA-N 0 2 504.008 4.497 40 30 KIEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@@H]1CCCO1 ZINC000015911580 553541263 /nfs/dbraw/zinc/54/12/63/553541263.db2.gz JKSHDVCCBXCSMZ-CWHVSTADSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@@H]1CCCO1 ZINC000015911580 553541261 /nfs/dbraw/zinc/54/12/61/553541261.db2.gz JKSHDVCCBXCSMZ-CWHVSTADSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@@H]1CCCO1 ZINC000015911582 553541232 /nfs/dbraw/zinc/54/12/32/553541232.db2.gz JKSHDVCCBXCSMZ-UEDPMERDSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@@H]1CCCO1 ZINC000015911582 553541230 /nfs/dbraw/zinc/54/12/30/553541230.db2.gz JKSHDVCCBXCSMZ-UEDPMERDSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@H]1CCCO1 ZINC000015911584 553541238 /nfs/dbraw/zinc/54/12/38/553541238.db2.gz JKSHDVCCBXCSMZ-VBOMYQPLSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@H]1CCCO1 ZINC000015911584 553541235 /nfs/dbraw/zinc/54/12/35/553541235.db2.gz JKSHDVCCBXCSMZ-VBOMYQPLSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@H]1CCCO1 ZINC000015911586 553541194 /nfs/dbraw/zinc/54/11/94/553541194.db2.gz JKSHDVCCBXCSMZ-LCJNKKOHSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@H]1CCCO1 ZINC000015911586 553541192 /nfs/dbraw/zinc/54/11/92/553541192.db2.gz JKSHDVCCBXCSMZ-LCJNKKOHSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@@H]1CCCO1 ZINC000015913054 553541830 /nfs/dbraw/zinc/54/18/30/553541830.db2.gz DDVJSNJPHNTAAP-CWHVSTADSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@@H]1CCCO1 ZINC000015913054 553541828 /nfs/dbraw/zinc/54/18/28/553541828.db2.gz DDVJSNJPHNTAAP-CWHVSTADSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@@H]1CCCO1 ZINC000015913056 553541786 /nfs/dbraw/zinc/54/17/86/553541786.db2.gz DDVJSNJPHNTAAP-UEDPMERDSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@@H]1CCCO1 ZINC000015913056 553541784 /nfs/dbraw/zinc/54/17/84/553541784.db2.gz DDVJSNJPHNTAAP-UEDPMERDSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@H]1CCCO1 ZINC000015913058 553541811 /nfs/dbraw/zinc/54/18/11/553541811.db2.gz DDVJSNJPHNTAAP-VBOMYQPLSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@H]1CCCO1 ZINC000015913058 553541807 /nfs/dbraw/zinc/54/18/07/553541807.db2.gz DDVJSNJPHNTAAP-VBOMYQPLSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@H]1CCCO1 ZINC000015913060 553541802 /nfs/dbraw/zinc/54/18/02/553541802.db2.gz DDVJSNJPHNTAAP-LCJNKKOHSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@H]1CCCO1 ZINC000015913060 553541799 /nfs/dbraw/zinc/54/17/99/553541799.db2.gz DDVJSNJPHNTAAP-LCJNKKOHSA-N 0 2 513.616 4.242 40 30 KIEBLN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)N(C2CCCC2)C1=O ZINC000016035331 553552003 /nfs/dbraw/zinc/55/20/03/553552003.db2.gz WREIWQAWRUNPSU-RIACQAHJSA-N 0 2 528.700 4.457 40 30 KIEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)N(C2CCCC2)C1=O ZINC000016035331 553552002 /nfs/dbraw/zinc/55/20/02/553552002.db2.gz WREIWQAWRUNPSU-RIACQAHJSA-N 0 2 528.700 4.457 40 30 KIEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)N(C2CCCC2)C1=O ZINC000016035334 553552014 /nfs/dbraw/zinc/55/20/14/553552014.db2.gz WREIWQAWRUNPSU-BDCRVHBXSA-N 0 2 528.700 4.457 40 30 KIEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)N(C2CCCC2)C1=O ZINC000016035334 553552013 /nfs/dbraw/zinc/55/20/13/553552013.db2.gz WREIWQAWRUNPSU-BDCRVHBXSA-N 0 2 528.700 4.457 40 30 KIEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(CCc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000016035339 553551984 /nfs/dbraw/zinc/55/19/84/553551984.db2.gz YTPCJFWOFVWODJ-YMVPSHTBSA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CCc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000016035339 553551983 /nfs/dbraw/zinc/55/19/83/553551983.db2.gz YTPCJFWOFVWODJ-YMVPSHTBSA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CCc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000016035340 553551998 /nfs/dbraw/zinc/55/19/98/553551998.db2.gz YTPCJFWOFVWODJ-MCMRFMRISA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CCc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000016035340 553551997 /nfs/dbraw/zinc/55/19/97/553551997.db2.gz YTPCJFWOFVWODJ-MCMRFMRISA-N 0 2 505.556 4.201 40 30 KIEBLN CCc1cccc(CC)c1/N=C1\S[C@@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CCOC ZINC000016035383 553552005 /nfs/dbraw/zinc/55/20/05/553552005.db2.gz XWVFCFRQWTWAFN-ZJJRIXMCSA-N 0 2 514.604 4.335 40 30 KIEBLN CCc1cccc(CC)c1/N=C1\SC(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CCOC ZINC000016035383 553552004 /nfs/dbraw/zinc/55/20/04/553552004.db2.gz XWVFCFRQWTWAFN-ZJJRIXMCSA-N 0 2 514.604 4.335 40 30 KIEBLN CCc1cccc(CC)c1/N=C1\S[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CCOC ZINC000016035384 553551995 /nfs/dbraw/zinc/55/19/95/553551995.db2.gz XWVFCFRQWTWAFN-VGTHCDORSA-N 0 2 514.604 4.335 40 30 KIEBLN CCc1cccc(CC)c1/N=C1\SC(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CCOC ZINC000016035384 553551994 /nfs/dbraw/zinc/55/19/94/553551994.db2.gz XWVFCFRQWTWAFN-VGTHCDORSA-N 0 2 514.604 4.335 40 30 KIEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(=NO)c1ccc(C(=NO)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000016607352 553569039 /nfs/dbraw/zinc/56/90/39/553569039.db2.gz ALVGOIQKBSNJRD-KDPJCVGLSA-N 0 2 508.538 4.121 40 30 KIEBLN CCc1ccc(S(=O)(=O)/N=C2/S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2c2ccccc2)cc1 ZINC000016754823 553581063 /nfs/dbraw/zinc/58/10/63/553581063.db2.gz FVYZBOPGDRLZHB-ZKZPFDSASA-N 0 2 523.636 4.480 40 30 KIEBLN COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)S2)cc1Br ZINC000020157627 553600194 /nfs/dbraw/zinc/60/01/94/553600194.db2.gz KCHWZACOFZLZNN-LHSRNITLSA-N 0 2 509.813 4.452 40 30 KIEBLN COc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)cc1Br ZINC000020157627 553600191 /nfs/dbraw/zinc/60/01/91/553600191.db2.gz KCHWZACOFZLZNN-LHSRNITLSA-N 0 2 509.813 4.452 40 30 KIEBLN COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)S2)cc1Br ZINC000020157630 553600280 /nfs/dbraw/zinc/60/02/80/553600280.db2.gz KCHWZACOFZLZNN-XMQIJXBMSA-N 0 2 509.813 4.452 40 30 KIEBLN COc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)cc1Br ZINC000020157630 553600278 /nfs/dbraw/zinc/60/02/78/553600278.db2.gz KCHWZACOFZLZNN-XMQIJXBMSA-N 0 2 509.813 4.452 40 30 KIEBLN COC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000020220845 553616039 /nfs/dbraw/zinc/61/60/39/553616039.db2.gz SHSDYNUZUZXWCB-GDHFJQHYSA-N 0 2 517.563 4.362 40 30 KIEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000020220845 553616037 /nfs/dbraw/zinc/61/60/37/553616037.db2.gz SHSDYNUZUZXWCB-GDHFJQHYSA-N 0 2 517.563 4.362 40 30 KIEBLN COC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000020220847 553616075 /nfs/dbraw/zinc/61/60/75/553616075.db2.gz SHSDYNUZUZXWCB-JIDDHEAESA-N 0 2 517.563 4.362 40 30 KIEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000020220847 553616073 /nfs/dbraw/zinc/61/60/73/553616073.db2.gz SHSDYNUZUZXWCB-JIDDHEAESA-N 0 2 517.563 4.362 40 30 KIEBLN COc1ccc(CNC(=O)CSc2nnc(N[NH+]=Cc3cccc(Oc4ccccc4)c3)[n-]2)cc1OC ZINC000020259106 553629356 /nfs/dbraw/zinc/62/93/56/553629356.db2.gz TYSRVDROEGLRJS-LQKURTRISA-N 0 2 518.599 4.469 40 30 KIEBLN CCNC(=O)CC1S/C(=N\c2ccc(C(=O)OCC)cc2)N(Cc2cc(F)c(F)c(F)c2F)C1=O ZINC000020608885 553678196 /nfs/dbraw/zinc/67/81/96/553678196.db2.gz HHTSISKODUZUHQ-MOIGBAQBSA-N 0 2 511.497 4.078 40 30 KIEBLN CCNC(=O)C[C@@H]1S/C(=N\c2ccc(C(=O)OCC)cc2)N(Cc2cc(F)c(F)c(F)c2F)C1=O ZINC000020608885 553678193 /nfs/dbraw/zinc/67/81/93/553678193.db2.gz HHTSISKODUZUHQ-MOIGBAQBSA-N 0 2 511.497 4.078 40 30 KIEBLN CCNC(=O)CC1S/C(=N\c2ccc(C(=O)OCC)cc2)N(Cc2cc(F)c(F)c(F)c2F)C1=O ZINC000020608886 553678148 /nfs/dbraw/zinc/67/81/48/553678148.db2.gz HHTSISKODUZUHQ-SOGDNZEHSA-N 0 2 511.497 4.078 40 30 KIEBLN CCNC(=O)C[C@H]1S/C(=N\c2ccc(C(=O)OCC)cc2)N(Cc2cc(F)c(F)c(F)c2F)C1=O ZINC000020608886 553678146 /nfs/dbraw/zinc/67/81/46/553678146.db2.gz HHTSISKODUZUHQ-SOGDNZEHSA-N 0 2 511.497 4.078 40 30 KIEBLN CCCCNC(O)=NS(=O)(=O)c1ccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 ZINC000027563918 553834831 /nfs/dbraw/zinc/83/48/31/553834831.db2.gz BBJBWXWLIHQAGF-UHFFFAOYSA-N 0 2 507.609 4.127 40 30 KIEBLN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1 ZINC000033364232 553957674 /nfs/dbraw/zinc/95/76/74/553957674.db2.gz CCLUIAUPAFEDNQ-GOTSBPSXSA-N 0 2 515.657 4.354 40 30 KIEBLN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1 ZINC000033364237 553957679 /nfs/dbraw/zinc/95/76/79/553957679.db2.gz CCLUIAUPAFEDNQ-SIHNDCSESA-N 0 2 515.657 4.354 40 30 KIEBLN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O ZINC000033367904 553957560 /nfs/dbraw/zinc/95/75/60/553957560.db2.gz QDQQFLJPYFCVFI-BPMVYWJCSA-N 0 2 503.621 4.484 40 30 KIEBLN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccccc3)N(C3CCCCC3)C2=O)c1 ZINC000033388970 553958106 /nfs/dbraw/zinc/95/81/06/553958106.db2.gz LLTPKCUCDUNQRH-LRJXLTTPSA-N 0 2 501.630 4.045 40 30 KIEBLN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000033415145 553959240 /nfs/dbraw/zinc/95/92/40/553959240.db2.gz XMNYYSDDTFEFIF-BPMVYWJCSA-N 0 2 503.621 4.484 40 30 KIEBLN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000033415146 553959196 /nfs/dbraw/zinc/95/91/96/553959196.db2.gz XMNYYSDDTFEFIF-RTGZZVAKSA-N 0 2 503.621 4.484 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000033625469 553964844 /nfs/dbraw/zinc/96/48/44/553964844.db2.gz IARSUJXGFYKJTN-LRJXLTTPSA-N 0 2 501.630 4.045 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000033625472 553964865 /nfs/dbraw/zinc/96/48/65/553964865.db2.gz IARSUJXGFYKJTN-JXDROGBKSA-N 0 2 501.630 4.045 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000033764336 553972686 /nfs/dbraw/zinc/97/26/86/553972686.db2.gz SHVWMYBJHIQDSO-GOTSBPSXSA-N 0 2 515.657 4.354 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000033764337 553972652 /nfs/dbraw/zinc/97/26/52/553972652.db2.gz SHVWMYBJHIQDSO-SIHNDCSESA-N 0 2 515.657 4.354 40 30 KIEBLN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)c1 ZINC000035352718 554043931 /nfs/dbraw/zinc/04/39/31/554043931.db2.gz YQOSXMYPERASBD-RTGZZVAKSA-N 0 2 519.620 4.185 40 30 KIEBLN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)c1 ZINC000035352719 554043891 /nfs/dbraw/zinc/04/38/91/554043891.db2.gz YQOSXMYPERASBD-BPMVYWJCSA-N 0 2 519.620 4.185 40 30 KIEBLN Cc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000036629326 554229829 /nfs/dbraw/zinc/22/98/29/554229829.db2.gz NTZDSIANLCLCQH-BPMVYWJCSA-N 0 2 503.621 4.484 40 30 KIEBLN Cc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000036629328 554229740 /nfs/dbraw/zinc/22/97/40/554229740.db2.gz NTZDSIANLCLCQH-RTGZZVAKSA-N 0 2 503.621 4.484 40 30 KIEBLN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O)Nc1ccc(F)cc1 ZINC000036629330 554229802 /nfs/dbraw/zinc/22/98/02/554229802.db2.gz MVHUXAIBGLQNMR-NUIVBQGBSA-N 0 2 507.584 4.315 40 30 KIEBLN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O)Nc1ccc(F)cc1 ZINC000036629332 554229810 /nfs/dbraw/zinc/22/98/10/554229810.db2.gz MVHUXAIBGLQNMR-LGADCTONSA-N 0 2 507.584 4.315 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000036629334 554229818 /nfs/dbraw/zinc/22/98/18/554229818.db2.gz IXBANYWXHNPBSQ-RTGZZVAKSA-N 0 2 519.620 4.185 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000036629336 554229821 /nfs/dbraw/zinc/22/98/21/554229821.db2.gz IXBANYWXHNPBSQ-BPMVYWJCSA-N 0 2 519.620 4.185 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3cccs3)N(C3CCCCC3)C2=O)cc1 ZINC000036629341 554229793 /nfs/dbraw/zinc/22/97/93/554229793.db2.gz ZPONXGMLERHZHI-RWUVGJFLSA-N 0 2 507.659 4.107 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3cccs3)N(C3CCCCC3)C2=O)cc1 ZINC000036629343 554229771 /nfs/dbraw/zinc/22/97/71/554229771.db2.gz ZPONXGMLERHZHI-IPVOUAOMSA-N 0 2 507.659 4.107 40 30 KIEBLN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3cccs3)N(C3CCCCC3)C2=O)c1 ZINC000036629345 554229758 /nfs/dbraw/zinc/22/97/58/554229758.db2.gz DPDPZSKHVRQINO-RWUVGJFLSA-N 0 2 507.659 4.107 40 30 KIEBLN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3cccs3)N(C3CCCCC3)C2=O)c1 ZINC000036629347 554229833 /nfs/dbraw/zinc/22/98/33/554229833.db2.gz DPDPZSKHVRQINO-IPVOUAOMSA-N 0 2 507.659 4.107 40 30 KIEBLN C=CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000059105269 554380450 /nfs/dbraw/zinc/38/04/50/554380450.db2.gz OEBDYNAYARPIAI-VGOFMYFVSA-N 0 2 501.289 4.258 40 30 KIEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)OC ZINC000059135562 554381582 /nfs/dbraw/zinc/38/15/82/554381582.db2.gz RYUZTXQBYQDZFS-LICLKQGHSA-N 0 2 517.307 4.375 40 30 KIEBLN O=C1c2ccccc2C(=O)C1=Cc1cc(I)c(O)c(I)c1 ZINC000059426382 554395140 /nfs/dbraw/zinc/39/51/40/554395140.db2.gz IJHFEKQVIJVXFL-UHFFFAOYSA-N 0 2 502.045 4.064 40 30 KIEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000059484158 554397643 /nfs/dbraw/zinc/39/76/43/554397643.db2.gz HYUBIVCJRGWHNN-BOPFTXTBSA-N 0 2 501.333 4.088 40 30 KIEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000059484160 193900938 /nfs/dbraw/zinc/90/09/38/193900938.db2.gz BVAGMBNBNMOOQY-PDGQHHTCSA-N 0 2 515.360 4.478 40 30 KIEBLN COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070672545 553602496 /nfs/dbraw/zinc/60/24/96/553602496.db2.gz NKRULBMECTXIEI-AHSZGDJOSA-N 0 2 583.682 4.197 40 30 KIEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1 ZINC000096398880 553753365 /nfs/dbraw/zinc/75/33/65/553753365.db2.gz GVWCBSSZKBLLPZ-ONUIUJJFSA-N 0 2 506.544 4.426 40 30 KIEBLN COc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)cc1 ZINC000096400511 553753718 /nfs/dbraw/zinc/75/37/18/553753718.db2.gz ZTLIXCMZKQMOEW-PWKIUMOWSA-N 0 2 510.528 4.366 40 30 KIEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)cc1 ZINC000096400511 553753716 /nfs/dbraw/zinc/75/37/16/553753716.db2.gz ZTLIXCMZKQMOEW-PWKIUMOWSA-N 0 2 510.528 4.366 40 30 KIEBLN COc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)cc1 ZINC000096400512 553753645 /nfs/dbraw/zinc/75/36/45/553753645.db2.gz ZTLIXCMZKQMOEW-JOWZZTKRSA-N 0 2 510.528 4.366 40 30 KIEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)cc1 ZINC000096400512 553753638 /nfs/dbraw/zinc/75/36/38/553753638.db2.gz ZTLIXCMZKQMOEW-JOWZZTKRSA-N 0 2 510.528 4.366 40 30 KIEBLN CCc1cccc(CC)c1/N=C1/S[C@@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CCOC ZINC000096400533 553753911 /nfs/dbraw/zinc/75/39/11/553753911.db2.gz XWVFCFRQWTWAFN-WOSBWRHYSA-N 0 2 514.604 4.335 40 30 KIEBLN CCc1cccc(CC)c1/N=C1/SC(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CCOC ZINC000096400533 553753909 /nfs/dbraw/zinc/75/39/09/553753909.db2.gz XWVFCFRQWTWAFN-WOSBWRHYSA-N 0 2 514.604 4.335 40 30 KIEBLN CCc1cccc(CC)c1/N=C1/S[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CCOC ZINC000096400534 553753974 /nfs/dbraw/zinc/75/39/74/553753974.db2.gz XWVFCFRQWTWAFN-ABSWARLHSA-N 0 2 514.604 4.335 40 30 KIEBLN CCc1cccc(CC)c1/N=C1/SC(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CCOC ZINC000096400534 553753973 /nfs/dbraw/zinc/75/39/73/553753973.db2.gz XWVFCFRQWTWAFN-ABSWARLHSA-N 0 2 514.604 4.335 40 30 KIEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000097980710 553990640 /nfs/dbraw/zinc/99/06/40/553990640.db2.gz GFQYPAFWCCBHCK-MYYYXRDXSA-N 0 2 530.559 4.266 40 30 KIEBLN CCN(CC)S(=O)(=O)c1ccc(C)c(/N=C2/S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)c1 ZINC000097982155 554000314 /nfs/dbraw/zinc/00/03/14/554000314.db2.gz WEPOVBBRIDXCKW-JPUYLNEOSA-N 0 2 560.742 4.249 40 30 KIEBLN CCN(CC)S(=O)(=O)c1ccc(C)c(/N=C2/SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)c1 ZINC000097982155 554000313 /nfs/dbraw/zinc/00/03/13/554000313.db2.gz WEPOVBBRIDXCKW-JPUYLNEOSA-N 0 2 560.742 4.249 40 30 KIEBLN CCN(CC)S(=O)(=O)c1ccc(C)c(/N=C2/S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)c1 ZINC000097982156 554000372 /nfs/dbraw/zinc/00/03/72/554000372.db2.gz WEPOVBBRIDXCKW-SNSKHAEWSA-N 0 2 560.742 4.249 40 30 KIEBLN CCN(CC)S(=O)(=O)c1ccc(C)c(/N=C2/SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)c1 ZINC000097982156 554000371 /nfs/dbraw/zinc/00/03/71/554000371.db2.gz WEPOVBBRIDXCKW-SNSKHAEWSA-N 0 2 560.742 4.249 40 30 KIEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(OC(=O)c3cccnc3)cc2)cc1 ZINC000097982482 554002842 /nfs/dbraw/zinc/00/28/42/554002842.db2.gz NNNOIAISNIRLSQ-LQKURTRISA-N 0 2 547.549 4.464 40 30 KIEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(OC(=O)c3cccnc3)c(OC)c2)cc1 ZINC000097982483 554002755 /nfs/dbraw/zinc/00/27/55/554002755.db2.gz MDCFLRODYAHGGJ-MUFRIFMGSA-N 0 2 577.575 4.473 40 30 KIEBLN C=CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000100241351 554260518 /nfs/dbraw/zinc/26/05/18/554260518.db2.gz MJNNFXHVGZUPJG-PDGQHHTCSA-N 0 2 562.360 4.320 40 30 KIEBLN C=CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000100320207 554304903 /nfs/dbraw/zinc/30/49/03/554304903.db2.gz JHPYRYQOOGZRDU-NVNXTCNLSA-N 0 2 583.176 4.294 40 30 KIEBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(OC)c3)C2=O)cc1 ZINC000100345151 554329949 /nfs/dbraw/zinc/32/99/49/554329949.db2.gz PGSOEWHGVDMPKU-SRZZPIQSSA-N 0 2 609.376 4.425 40 30 KIEBLN O=[N+]([O-])c1cc(Cc2ccccc2)cc(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCOCC3)n2)c1O ZINC000100459843 554397488 /nfs/dbraw/zinc/39/74/88/554397488.db2.gz PIFDXKHSCIDBDG-MTDXEUNCSA-N 0 2 526.557 4.102 40 30 KIEBLN O=C([N-]CC[NH+]1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100494989 554403882 /nfs/dbraw/zinc/40/38/82/554403882.db2.gz BKUFKPYGVRQQGM-UHFFFAOYSA-N 0 2 576.247 4.444 40 30 KIEBLN O=C(C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100844161 554490868 /nfs/dbraw/zinc/49/08/68/554490868.db2.gz LJPZZANOQBKRAS-FHRUIIQFSA-N 0 2 564.421 4.344 40 30 KIEBLN O=C(C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100844162 554490885 /nfs/dbraw/zinc/49/08/85/554490885.db2.gz LJPZZANOQBKRAS-BGPWEIADSA-N 0 2 564.421 4.344 40 30 KIEBLN Cc1c(/N=C2\S/C(=C\c3cc([N+](=O)[O-])ccc3O)C(=O)N2/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)n(-c2ccccc2)n1C ZINC000100848506 554491746 /nfs/dbraw/zinc/49/17/46/554491746.db2.gz BCUIMPHKCJDBPK-WWBJJUIZSA-N 0 2 615.584 4.350 40 30 KIEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=NN=C[C@@H]3CSc4[nH]c(=O)sc4[C@@H]3c3ccc(OC)cc3)NC2=O)cc1 ZINC000100912680 554518260 /nfs/dbraw/zinc/51/82/60/554518260.db2.gz YPDKXOWRLACQJR-IFXRBXFDSA-N 0 2 625.754 4.078 40 30 KIEBLN CCOC(=O)c1ccc(NC(=O)CC2SC(=NN=C[C@@H]3CSc4[nH]c(=O)sc4[C@@H]3c3ccc(OC)cc3)NC2=O)cc1 ZINC000100912680 554518255 /nfs/dbraw/zinc/51/82/55/554518255.db2.gz YPDKXOWRLACQJR-IFXRBXFDSA-N 0 2 625.754 4.078 40 30 KIEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=NN=C[C@@H]3CSc4[nH]c(=O)sc4[C@@H]3c3ccc(OC)cc3)NC2=O)cc1 ZINC000100912682 554518279 /nfs/dbraw/zinc/51/82/79/554518279.db2.gz YPDKXOWRLACQJR-SHQCKHLESA-N 0 2 625.754 4.078 40 30 KIEBLN CCOC(=O)c1ccc(NC(=O)CC2SC(=NN=C[C@@H]3CSc4[nH]c(=O)sc4[C@@H]3c3ccc(OC)cc3)NC2=O)cc1 ZINC000100912682 554518274 /nfs/dbraw/zinc/51/82/74/554518274.db2.gz YPDKXOWRLACQJR-SHQCKHLESA-N 0 2 625.754 4.078 40 30 KIEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=NN=C[C@H]3CSc4[nH]c(=O)sc4[C@@H]3c3ccc(OC)cc3)NC2=O)cc1 ZINC000100912683 554518313 /nfs/dbraw/zinc/51/83/13/554518313.db2.gz YPDKXOWRLACQJR-DECHGGLQSA-N 0 2 625.754 4.078 40 30 KIEBLN CCOC(=O)c1ccc(NC(=O)CC2SC(=NN=C[C@H]3CSc4[nH]c(=O)sc4[C@@H]3c3ccc(OC)cc3)NC2=O)cc1 ZINC000100912683 554518309 /nfs/dbraw/zinc/51/83/09/554518309.db2.gz YPDKXOWRLACQJR-DECHGGLQSA-N 0 2 625.754 4.078 40 30 KIEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=NN=C[C@H]3CSc4[nH]c(=O)sc4[C@@H]3c3ccc(OC)cc3)NC2=O)cc1 ZINC000100912684 554518172 /nfs/dbraw/zinc/51/81/72/554518172.db2.gz YPDKXOWRLACQJR-RPCFSMJISA-N 0 2 625.754 4.078 40 30 KIEBLN CCOC(=O)c1ccc(NC(=O)CC2SC(=NN=C[C@H]3CSc4[nH]c(=O)sc4[C@@H]3c3ccc(OC)cc3)NC2=O)cc1 ZINC000100912684 554518165 /nfs/dbraw/zinc/51/81/65/554518165.db2.gz YPDKXOWRLACQJR-RPCFSMJISA-N 0 2 625.754 4.078 40 30 KIEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\S(=O)(=O)c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 ZINC000100918722 554520527 /nfs/dbraw/zinc/52/05/27/554520527.db2.gz MINCAPYYYLZMMK-YMVPSHTBSA-N 0 2 509.609 4.226 40 30 KIEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\S(=O)(=O)c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 ZINC000100918727 554520556 /nfs/dbraw/zinc/52/05/56/554520556.db2.gz MINCAPYYYLZMMK-MCMRFMRISA-N 0 2 509.609 4.226 40 30 KIEBLN COc1cccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(c3ccccc3)C2=O)c1 ZINC000100918732 554520559 /nfs/dbraw/zinc/52/05/59/554520559.db2.gz YVTSQPYWBHZMJJ-GOTSBPSXSA-N 0 2 509.609 4.226 40 30 KIEBLN COc1cccc(NC(=O)C[C@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(c3ccccc3)C2=O)c1 ZINC000100918735 554520504 /nfs/dbraw/zinc/52/05/04/554520504.db2.gz YVTSQPYWBHZMJJ-SIHNDCSESA-N 0 2 509.609 4.226 40 30 KIEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(=NO)c1ccc(C(=NO)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100933126 554527830 /nfs/dbraw/zinc/52/78/30/554527830.db2.gz ALVGOIQKBSNJRD-AVDJKUKHSA-N 0 2 508.538 4.121 40 30 KIEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(=NO)c1ccc(C(=NO)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100933129 554527947 /nfs/dbraw/zinc/52/79/47/554527947.db2.gz ALVGOIQKBSNJRD-ZRDOBQMZSA-N 0 2 508.538 4.121 40 30 KIEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br ZINC000100961146 554542155 /nfs/dbraw/zinc/54/21/55/554542155.db2.gz XMSMXNWSXIWYSX-VGOFMYFVSA-N 0 2 522.124 4.029 40 30 KIEBLN O=C(C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000100972724 554544503 /nfs/dbraw/zinc/54/45/03/554544503.db2.gz LEUVSZJPXNKDSH-LGADCTONSA-N 0 2 501.536 4.187 40 30 KIEBLN O=C(C[C@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000100972726 554544493 /nfs/dbraw/zinc/54/44/93/554544493.db2.gz LEUVSZJPXNKDSH-NUIVBQGBSA-N 0 2 501.536 4.187 40 30 KIEBLN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000101037494 554567042 /nfs/dbraw/zinc/56/70/42/554567042.db2.gz UKPXKIWGZBJPBY-UHFFFAOYSA-N 0 2 532.698 4.105 40 30 KIEBLN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccccc3)N(C3CCCCC3)C2=O)c1 ZINC000101042442 554567783 /nfs/dbraw/zinc/56/77/83/554567783.db2.gz LLTPKCUCDUNQRH-JXDROGBKSA-N 0 2 501.630 4.045 40 30 KIEBLN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O ZINC000101042593 554567741 /nfs/dbraw/zinc/56/77/41/554567741.db2.gz QDQQFLJPYFCVFI-RTGZZVAKSA-N 0 2 503.621 4.484 40 30 KIEBLN CN(C)c1nc(N=NCc2cc(Br)cc(I)c2O)nc(NCc2ccccc2)n1 ZINC000101055187 554569259 /nfs/dbraw/zinc/56/92/59/554569259.db2.gz NAMIFQSBVGLJMF-FOKLQQMPSA-N 0 2 568.217 4.068 40 30 KIEBLN Oc1c(Br)cc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c(O)c1Br ZINC000101055430 554569173 /nfs/dbraw/zinc/56/91/73/554569173.db2.gz JYKQTTOJDLHHLN-FMCGGJTJSA-N 0 2 555.275 4.234 40 30 KIEBLN Oc1c(Br)cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(O)c1Br ZINC000101055430 554569171 /nfs/dbraw/zinc/56/91/71/554569171.db2.gz JYKQTTOJDLHHLN-FMCGGJTJSA-N 0 2 555.275 4.234 40 30 KIEBLN O=C([O-])CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299534 554712782 /nfs/dbraw/zinc/71/27/82/554712782.db2.gz OBPPFUZCYPUCKS-IFLITKAISA-N 0 2 555.722 4.002 40 30 KIEBLN O=C([O-])CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299536 554712705 /nfs/dbraw/zinc/71/27/05/554712705.db2.gz OBPPFUZCYPUCKS-XRLPCTNMSA-N 0 2 555.722 4.002 40 30 KIEBLN O=C([O-])CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299538 554713113 /nfs/dbraw/zinc/71/31/13/554713113.db2.gz OBPPFUZCYPUCKS-GNOCCYRVSA-N 0 2 555.722 4.002 40 30 KIEBLN O=C([O-])CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101299543 554713066 /nfs/dbraw/zinc/71/30/66/554713066.db2.gz OBPPFUZCYPUCKS-FKFVZERHSA-N 0 2 555.722 4.002 40 30 KIEBLN CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C)cc1 ZINC000102406693 554921161 /nfs/dbraw/zinc/92/11/61/554921161.db2.gz WDSVQJMVKXOPLX-JOGXUEJDSA-N 0 2 537.379 4.058 40 30 KIEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C)cc1 ZINC000102406693 554921159 /nfs/dbraw/zinc/92/11/59/554921159.db2.gz WDSVQJMVKXOPLX-JOGXUEJDSA-N 0 2 537.379 4.058 40 30 KIEBLN CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(I)cc3)C(=O)N2C)cc1 ZINC000102406699 554921122 /nfs/dbraw/zinc/92/11/22/554921122.db2.gz WDSVQJMVKXOPLX-PJXFJRINSA-N 0 2 537.379 4.058 40 30 KIEBLN CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3ccc(I)cc3)C(=O)N2C)cc1 ZINC000102406699 554921119 /nfs/dbraw/zinc/92/11/19/554921119.db2.gz WDSVQJMVKXOPLX-PJXFJRINSA-N 0 2 537.379 4.058 40 30 KIEBLN Cc1ccc(C)c(Nc2nc(N=NCc3cc(Br)c(O)c(Br)c3O)nc(N3CCOCC3)n2)c1 ZINC000102772671 555061438 /nfs/dbraw/zinc/06/14/38/555061438.db2.gz TUSYTBWWHXUDMQ-GATIEOLUSA-N 0 2 593.280 4.451 40 30 KIEBLN COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N\N=C(/C)c2cc(Br)ccc2O)NC1=O ZINC000102922281 555147363 /nfs/dbraw/zinc/14/73/63/555147363.db2.gz NNMXLUHIBXGNBY-IBNQTYSGSA-N 0 2 539.839 4.466 40 30 KIEBLN COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\N=C(/C)c2cc(Br)ccc2O)NC1=O ZINC000102922281 555147360 /nfs/dbraw/zinc/14/73/60/555147360.db2.gz NNMXLUHIBXGNBY-IBNQTYSGSA-N 0 2 539.839 4.466 40 30 KIEBLN COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N\N=C(/C)c2cc(Br)ccc2O)NC1=O ZINC000102922286 555147317 /nfs/dbraw/zinc/14/73/17/555147317.db2.gz NNMXLUHIBXGNBY-WSLJYYCZSA-N 0 2 539.839 4.466 40 30 KIEBLN COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\N=C(/C)c2cc(Br)ccc2O)NC1=O ZINC000102922286 555147314 /nfs/dbraw/zinc/14/73/14/555147314.db2.gz NNMXLUHIBXGNBY-WSLJYYCZSA-N 0 2 539.839 4.466 40 30 KIEBLN C=CCOc1c(Br)cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)S2)cc1OCC ZINC000102922451 555147411 /nfs/dbraw/zinc/14/74/11/555147411.db2.gz QCFKDOJXDKBWAJ-MOYYISEASA-N 0 2 561.458 4.372 40 30 KIEBLN C=CCOc1c(Br)cc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(OC)cc3)S2)cc1OCC ZINC000102922451 555147410 /nfs/dbraw/zinc/14/74/10/555147410.db2.gz QCFKDOJXDKBWAJ-MOYYISEASA-N 0 2 561.458 4.372 40 30 KIEBLN C=CCOc1c(Br)cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)S2)cc1OCC ZINC000102922457 555147329 /nfs/dbraw/zinc/14/73/29/555147329.db2.gz QCFKDOJXDKBWAJ-RAQUAXEKSA-N 0 2 561.458 4.372 40 30 KIEBLN C=CCOc1c(Br)cc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(OC)cc3)S2)cc1OCC ZINC000102922457 555147325 /nfs/dbraw/zinc/14/73/25/555147325.db2.gz QCFKDOJXDKBWAJ-RAQUAXEKSA-N 0 2 561.458 4.372 40 30 KIEBLN O=C(C[C@H]1S/C(=N\c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N(C2CCCC2)C1=O)Nc1ccc(F)cc1 ZINC000102926729 555151525 /nfs/dbraw/zinc/15/15/25/555151525.db2.gz PSKFHFOTVIQLNK-PCKLGSBKSA-N 0 2 595.118 4.403 40 30 KIEBLN O=C(CC1S/C(=N\c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N(C2CCCC2)C1=O)Nc1ccc(F)cc1 ZINC000102926729 555151520 /nfs/dbraw/zinc/15/15/20/555151520.db2.gz PSKFHFOTVIQLNK-PCKLGSBKSA-N 0 2 595.118 4.403 40 30 KIEBLN O=C(C[C@@H]1S/C(=N\c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N(C2CCCC2)C1=O)Nc1ccc(F)cc1 ZINC000102926733 555151426 /nfs/dbraw/zinc/15/14/26/555151426.db2.gz PSKFHFOTVIQLNK-SQVRLAAPSA-N 0 2 595.118 4.403 40 30 KIEBLN O=C(CC1S/C(=N\c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N(C2CCCC2)C1=O)Nc1ccc(F)cc1 ZINC000102926733 555151421 /nfs/dbraw/zinc/15/14/21/555151421.db2.gz PSKFHFOTVIQLNK-SQVRLAAPSA-N 0 2 595.118 4.403 40 30 KIEBLN CCN(CC)S(=O)(=O)c1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)c1 ZINC000102961120 555176668 /nfs/dbraw/zinc/17/66/68/555176668.db2.gz WEPOVBBRIDXCKW-TXYDOONASA-N 0 2 560.742 4.249 40 30 KIEBLN CCN(CC)S(=O)(=O)c1ccc(C)c(/N=C2\SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)c1 ZINC000102961120 555176665 /nfs/dbraw/zinc/17/66/65/555176665.db2.gz WEPOVBBRIDXCKW-TXYDOONASA-N 0 2 560.742 4.249 40 30 KIEBLN CCN(CC)S(=O)(=O)c1ccc(C)c(/N=C2\S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)c1 ZINC000102961122 555176625 /nfs/dbraw/zinc/17/66/25/555176625.db2.gz WEPOVBBRIDXCKW-FPDKYURTSA-N 0 2 560.742 4.249 40 30 KIEBLN CCN(CC)S(=O)(=O)c1ccc(C)c(/N=C2\SC(CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)c1 ZINC000102961122 555176624 /nfs/dbraw/zinc/17/66/24/555176624.db2.gz WEPOVBBRIDXCKW-FPDKYURTSA-N 0 2 560.742 4.249 40 30 KIEBLN O=C(CC1S/C(=N/c2ccc(SC(F)F)cc2)N(CCN2CCOCC2)C1=O)Nc1ccccc1 ZINC000102961466 555177161 /nfs/dbraw/zinc/17/71/61/555177161.db2.gz BSEZYKIAFKWFQK-ZNMPCZAUSA-N 0 2 520.627 4.294 40 30 KIEBLN O=C(CC1S/C(=N/c2ccc(SC(F)F)cc2)N(CCN2CCOCC2)C1=O)Nc1ccccc1 ZINC000102961468 555177126 /nfs/dbraw/zinc/17/71/26/555177126.db2.gz BSEZYKIAFKWFQK-XITAALQNSA-N 0 2 520.627 4.294 40 30 KIEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@@H]1CCCO1 ZINC000102961502 555177256 /nfs/dbraw/zinc/17/72/56/555177256.db2.gz DDVJSNJPHNTAAP-VAPRLZSCSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@@H]1CCCO1 ZINC000102961502 555177255 /nfs/dbraw/zinc/17/72/55/555177255.db2.gz DDVJSNJPHNTAAP-VAPRLZSCSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@@H]1CCCO1 ZINC000102961504 555177271 /nfs/dbraw/zinc/17/72/71/555177271.db2.gz DDVJSNJPHNTAAP-VNJMFPOXSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1C[C@@H]1CCCO1 ZINC000102961504 555177270 /nfs/dbraw/zinc/17/72/70/555177270.db2.gz DDVJSNJPHNTAAP-VNJMFPOXSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@@H]1CCCO1 ZINC000102961539 555177343 /nfs/dbraw/zinc/17/73/43/555177343.db2.gz JKSHDVCCBXCSMZ-VAPRLZSCSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@@H]1CCCO1 ZINC000102961539 555177341 /nfs/dbraw/zinc/17/73/41/555177341.db2.gz JKSHDVCCBXCSMZ-VAPRLZSCSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@@H]1CCCO1 ZINC000102961541 555177326 /nfs/dbraw/zinc/17/73/26/555177326.db2.gz JKSHDVCCBXCSMZ-VNJMFPOXSA-N 0 2 513.616 4.242 40 30 KIEBLN CCOc1ccccc1/N=C1/SC(CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C[C@@H]1CCCO1 ZINC000102961541 555177325 /nfs/dbraw/zinc/17/73/25/555177325.db2.gz JKSHDVCCBXCSMZ-VNJMFPOXSA-N 0 2 513.616 4.242 40 30 KIEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000102961770 555177796 /nfs/dbraw/zinc/17/77/96/555177796.db2.gz HFEAFNNEIPBDFK-XWZWHOITSA-N 0 2 504.008 4.497 40 30 KIEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000102961770 555177794 /nfs/dbraw/zinc/17/77/94/555177794.db2.gz HFEAFNNEIPBDFK-XWZWHOITSA-N 0 2 504.008 4.497 40 30 KIEBLN COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000102961773 555177757 /nfs/dbraw/zinc/17/77/57/555177757.db2.gz HFEAFNNEIPBDFK-JOHAUJDZSA-N 0 2 504.008 4.497 40 30 KIEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000102961773 555177755 /nfs/dbraw/zinc/17/77/55/555177755.db2.gz HFEAFNNEIPBDFK-JOHAUJDZSA-N 0 2 504.008 4.497 40 30 KIEBLN O=C(C[C@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000102961977 555178024 /nfs/dbraw/zinc/17/80/24/555178024.db2.gz HKDCETFLOKLSJB-IAYOLJGFSA-N 0 2 520.514 4.336 40 30 KIEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000102961977 555178022 /nfs/dbraw/zinc/17/80/22/555178022.db2.gz HKDCETFLOKLSJB-IAYOLJGFSA-N 0 2 520.514 4.336 40 30 KIEBLN O=C(C[C@@H]1S/C(=N/c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000102961981 555178104 /nfs/dbraw/zinc/17/81/04/555178104.db2.gz HKDCETFLOKLSJB-NJMXFTCHSA-N 0 2 520.514 4.336 40 30 KIEBLN O=C(CC1S/C(=N/c2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000102961981 555178102 /nfs/dbraw/zinc/17/81/02/555178102.db2.gz HKDCETFLOKLSJB-NJMXFTCHSA-N 0 2 520.514 4.336 40 30 KIEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(CCc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000102962183 555178266 /nfs/dbraw/zinc/17/82/66/555178266.db2.gz YTPCJFWOFVWODJ-SIHNDCSESA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(CCc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000102962183 555178264 /nfs/dbraw/zinc/17/82/64/555178264.db2.gz YTPCJFWOFVWODJ-SIHNDCSESA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(CCc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000102962185 555178481 /nfs/dbraw/zinc/17/84/81/555178481.db2.gz YTPCJFWOFVWODJ-GOTSBPSXSA-N 0 2 505.556 4.201 40 30 KIEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(CCc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000102962185 555178478 /nfs/dbraw/zinc/17/84/78/555178478.db2.gz YTPCJFWOFVWODJ-GOTSBPSXSA-N 0 2 505.556 4.201 40 30 KIEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)N(C2CCCC2)C1=O ZINC000102962490 555178910 /nfs/dbraw/zinc/17/89/10/555178910.db2.gz WREIWQAWRUNPSU-PLFNIDSXSA-N 0 2 528.700 4.457 40 30 KIEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)N(C2CCCC2)C1=O ZINC000102962490 555178907 /nfs/dbraw/zinc/17/89/07/555178907.db2.gz WREIWQAWRUNPSU-PLFNIDSXSA-N 0 2 528.700 4.457 40 30 KIEBLN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)N(C2CCCC2)C1=O ZINC000102962493 555178964 /nfs/dbraw/zinc/17/89/64/555178964.db2.gz WREIWQAWRUNPSU-KQEYZTLISA-N 0 2 528.700 4.457 40 30 KIEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)N(C2CCCC2)C1=O ZINC000102962493 555178962 /nfs/dbraw/zinc/17/89/62/555178962.db2.gz WREIWQAWRUNPSU-KQEYZTLISA-N 0 2 528.700 4.457 40 30 KIEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(OCC(=O)N(C)C)cc2)c(C)c1 ZINC000102980448 555187589 /nfs/dbraw/zinc/18/75/89/555187589.db2.gz DDLQTKTVJKZXBT-ZXVVBBHZSA-N 0 2 539.614 4.316 40 30 KIEBLN CCOC(=O)c1c(C)[nH]c(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(OC)cc2)c1C ZINC000102983286 555189217 /nfs/dbraw/zinc/18/92/17/555189217.db2.gz RSLGNWQTNBDRRK-WGOQTCKBSA-N 0 2 529.575 4.362 40 30 KIEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cc(Br)ccc2O)cc1 ZINC000102983352 555189226 /nfs/dbraw/zinc/18/92/26/555189226.db2.gz IWLPIPDLNOHDSG-WSDLNYQXSA-N 0 2 521.349 4.318 40 30 KIEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000102983371 555189262 /nfs/dbraw/zinc/18/92/62/555189262.db2.gz WGOUMECTQJHIOM-MTDXEUNCSA-N 0 2 599.647 4.312 40 30 KIEBLN CCN(CC)S(=O)(=O)c1ccc(N=NCc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1 ZINC000102983439 555189238 /nfs/dbraw/zinc/18/92/38/555189238.db2.gz PAHXYVMVDJJETC-KEBDBYFISA-N 0 2 550.229 4.302 40 30 KIEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000102983917 555189638 /nfs/dbraw/zinc/18/96/38/555189638.db2.gz GFQYPAFWCCBHCK-MFKUBSTISA-N 0 2 530.559 4.266 40 30 KIEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000102984035 555189996 /nfs/dbraw/zinc/18/99/96/555189996.db2.gz CEZDLYRETRQGSV-NLRVBDNBSA-N 0 2 573.653 4.025 40 30 KIEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000102984049 555189989 /nfs/dbraw/zinc/18/99/89/555189989.db2.gz CLFQOEPQTIIFIJ-CFRMEGHHSA-N 0 2 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O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408533033 572181621 /nfs/dbraw/zinc/18/16/21/572181621.db2.gz JCEGTLJFBDNTEG-GFCCVEGCSA-N 0 2 502.095 4.200 40 30 KIEBLN O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408533036 572181760 /nfs/dbraw/zinc/18/17/60/572181760.db2.gz JCEGTLJFBDNTEG-LBPRGKRZSA-N 0 2 502.095 4.200 40 30 KIEBLN O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000408536396 572191243 /nfs/dbraw/zinc/19/12/43/572191243.db2.gz RFWUJEXPWUARMT-AWEZNQCLSA-N 0 2 502.095 4.200 40 30 KIEBLN O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000408536398 572191015 /nfs/dbraw/zinc/19/10/15/572191015.db2.gz RFWUJEXPWUARMT-CQSZACIVSA-N 0 2 502.095 4.200 40 30 KIEBLN CCOC(=O)c1c(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)sc2c1CCCC2 ZINC000408536459 572191119 /nfs/dbraw/zinc/19/11/19/572191119.db2.gz RMXNNPPBKZVXER-HNNXBMFYSA-N 0 2 507.490 4.424 40 30 KIEBLN CCOC(=O)c1c(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)sc2c1CCCC2 ZINC000408536464 572191209 /nfs/dbraw/zinc/19/12/09/572191209.db2.gz RMXNNPPBKZVXER-OAHLLOKOSA-N 0 2 507.490 4.424 40 30 KIEBLN O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(Br)c(Cl)c1 ZINC000408536559 572191749 /nfs/dbraw/zinc/19/17/49/572191749.db2.gz SBOZRCWUTXBDIY-GFCCVEGCSA-N 0 2 546.546 4.309 40 30 KIEBLN O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(Br)c(Cl)c1 ZINC000408536560 572191644 /nfs/dbraw/zinc/19/16/44/572191644.db2.gz SBOZRCWUTXBDIY-LBPRGKRZSA-N 0 2 546.546 4.309 40 30 KIEBLN O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408537030 572193335 /nfs/dbraw/zinc/19/33/35/572193335.db2.gz UKJSXVACBQWVOQ-GFCCVEGCSA-N 0 2 546.546 4.309 40 30 KIEBLN O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408537033 572193378 /nfs/dbraw/zinc/19/33/78/572193378.db2.gz UKJSXVACBQWVOQ-LBPRGKRZSA-N 0 2 546.546 4.309 40 30 KIEBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)ccc1OCc1ccccc1C#N ZINC000408563908 572249743 /nfs/dbraw/zinc/24/97/43/572249743.db2.gz BJZVTUNFINPVJW-DEEGFUGBSA-N 0 2 510.550 4.200 40 30 KIEBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)ccc1OCc1ccccc1C#N ZINC000408563913 572249831 /nfs/dbraw/zinc/24/98/31/572249831.db2.gz BJZVTUNFINPVJW-HTZSSYRZSA-N 0 2 510.550 4.200 40 30 KIEBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)ccc1OCc1ccccc1C#N ZINC000408563916 572249748 /nfs/dbraw/zinc/24/97/48/572249748.db2.gz BJZVTUNFINPVJW-UMDVNSCSSA-N 0 2 510.550 4.200 40 30 KIEBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)ccc1OCc1ccccc1C#N ZINC000408563918 572249765 /nfs/dbraw/zinc/24/97/65/572249765.db2.gz BJZVTUNFINPVJW-USCUKXROSA-N 0 2 510.550 4.200 40 30 KIEBLN C=CCOc1c(Br)cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC ZINC000408564684 572250655 /nfs/dbraw/zinc/25/06/55/572250655.db2.gz DOUXGLQCMPANHI-AYEZKCMBSA-N 0 2 514.376 4.077 40 30 KIEBLN C=CCOc1c(Br)cc([C@@H]2[C@@H]3CCCN3[C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1OC ZINC000408564685 572250681 /nfs/dbraw/zinc/25/06/81/572250681.db2.gz DOUXGLQCMPANHI-FVSDWULHSA-N 0 2 514.376 4.077 40 30 KIEBLN C=CCOc1c(Br)cc([C@@H]2[C@@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1OC ZINC000408564686 572250725 /nfs/dbraw/zinc/25/07/25/572250725.db2.gz DOUXGLQCMPANHI-PJXYCGMHSA-N 0 2 514.376 4.077 40 30 KIEBLN C=CCOc1c(Br)cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC ZINC000408564687 572250632 /nfs/dbraw/zinc/25/06/32/572250632.db2.gz DOUXGLQCMPANHI-WKKBNRPRSA-N 0 2 514.376 4.077 40 30 KIEBLN C=CCOc1c(Br)cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc1Br ZINC000408564744 572250882 /nfs/dbraw/zinc/25/08/82/572250882.db2.gz FQCYGUDWHGIPSM-DRWCTHJISA-N 0 2 537.208 4.298 40 30 KIEBLN C=CCOc1c(Br)cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1Br ZINC000408564745 572250764 /nfs/dbraw/zinc/25/07/64/572250764.db2.gz FQCYGUDWHGIPSM-JBZDTAIVSA-N 0 2 537.208 4.298 40 30 KIEBLN C=CCOc1c(Br)cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1Br ZINC000408564746 572250761 /nfs/dbraw/zinc/25/07/61/572250761.db2.gz FQCYGUDWHGIPSM-LPLGYCIKSA-N 0 2 537.208 4.298 40 30 KIEBLN C=CCOc1c(Br)cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc1Br ZINC000408564747 572250877 /nfs/dbraw/zinc/25/08/77/572250877.db2.gz FQCYGUDWHGIPSM-NQZBTDCJSA-N 0 2 537.208 4.298 40 30 KIEBLN C=CCOc1c(Br)cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408565464 572252526 /nfs/dbraw/zinc/25/25/26/572252526.db2.gz KYPMAPSFJPAXQN-DPPHCXMASA-N 0 2 528.403 4.467 40 30 KIEBLN C=CCOc1c(Br)cc([C@@H]2[C@@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1OCC ZINC000408565467 572252597 /nfs/dbraw/zinc/25/25/97/572252597.db2.gz KYPMAPSFJPAXQN-MXSFIFILSA-N 0 2 528.403 4.467 40 30 KIEBLN C=CCOc1c(Br)cc([C@@H]2[C@@H]3CCCN3[C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1OCC ZINC000408565470 572252547 /nfs/dbraw/zinc/25/25/47/572252547.db2.gz KYPMAPSFJPAXQN-PYTYSOFPSA-N 0 2 528.403 4.467 40 30 KIEBLN C=CCOc1c(Br)cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408565472 572252582 /nfs/dbraw/zinc/25/25/82/572252582.db2.gz KYPMAPSFJPAXQN-VUHNXCBZSA-N 0 2 528.403 4.467 40 30 KIEBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)C([N+](=O)[O-])[C@@]12c1ccccc1NC2=O ZINC000408566106 572253435 /nfs/dbraw/zinc/25/34/35/572253435.db2.gz MUGDEWJMYDYACP-OLLUBJOZSA-N 0 2 533.382 4.422 40 30 KIEBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)[C@@H]([N+](=O)[O-])[C@@]12c1ccccc1NC2=O ZINC000408566106 572253434 /nfs/dbraw/zinc/25/34/34/572253434.db2.gz MUGDEWJMYDYACP-OLLUBJOZSA-N 0 2 533.382 4.422 40 30 KIEBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)C([N+](=O)[O-])[C@]12c1ccccc1NC2=O ZINC000408566108 572253406 /nfs/dbraw/zinc/25/34/06/572253406.db2.gz MUGDEWJMYDYACP-PSUQPPDWSA-N 0 2 533.382 4.422 40 30 KIEBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)[C@H]([N+](=O)[O-])[C@]12c1ccccc1NC2=O ZINC000408566108 572253404 /nfs/dbraw/zinc/25/34/04/572253404.db2.gz MUGDEWJMYDYACP-PSUQPPDWSA-N 0 2 533.382 4.422 40 30 KIEBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)C([N+](=O)[O-])[C@@]12c1ccccc1NC2=O ZINC000408566109 572253511 /nfs/dbraw/zinc/25/35/11/572253511.db2.gz MUGDEWJMYDYACP-UGIARPQZSA-N 0 2 533.382 4.422 40 30 KIEBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)[C@H]([N+](=O)[O-])[C@@]12c1ccccc1NC2=O ZINC000408566109 572253510 /nfs/dbraw/zinc/25/35/10/572253510.db2.gz MUGDEWJMYDYACP-UGIARPQZSA-N 0 2 533.382 4.422 40 30 KIEBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)C([N+](=O)[O-])[C@]12c1ccccc1NC2=O ZINC000408566111 572253439 /nfs/dbraw/zinc/25/34/39/572253439.db2.gz MUGDEWJMYDYACP-ZOSUSCCZSA-N 0 2 533.382 4.422 40 30 KIEBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)[C@@H]([N+](=O)[O-])[C@]12c1ccccc1NC2=O ZINC000408566111 572253437 /nfs/dbraw/zinc/25/34/37/572253437.db2.gz MUGDEWJMYDYACP-ZOSUSCCZSA-N 0 2 533.382 4.422 40 30 KIEBLN COc1cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408569365 572255547 /nfs/dbraw/zinc/25/55/47/572255547.db2.gz VZDMHPYNELBCAT-BYGVMDBSSA-N 0 2 518.957 4.321 40 30 KIEBLN COc1cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408569366 572255568 /nfs/dbraw/zinc/25/55/68/572255568.db2.gz VZDMHPYNELBCAT-DNKZPPIMSA-N 0 2 518.957 4.321 40 30 KIEBLN COc1cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408569367 572255665 /nfs/dbraw/zinc/25/56/65/572255665.db2.gz VZDMHPYNELBCAT-UYDITSSVSA-N 0 2 518.957 4.321 40 30 KIEBLN COc1cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408569368 572255653 /nfs/dbraw/zinc/25/56/53/572255653.db2.gz VZDMHPYNELBCAT-YDOVEJIGSA-N 0 2 518.957 4.321 40 30 KIEBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC#N)c(Br)c3)C2=O)c1 ZINC000408772143 1064290602 /nfs/dbraw/zinc/29/06/02/1064290602.db2.gz DIQFSFGJDRTTFT-OVCLIPMQSA-N 0 2 533.176 4.397 40 30 KIEBLN N#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408773233 1064290844 /nfs/dbraw/zinc/29/08/44/1064290844.db2.gz UDVIUICNBONMRX-NTUHNPAUSA-N 0 2 586.567 4.276 40 30 KIEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC#N)c(Br)c3)C2=O)cc1 ZINC000408774369 1064289942 /nfs/dbraw/zinc/28/99/42/1064289942.db2.gz VNKNXNQCGIQQMC-RIYZIHGNSA-N 0 2 519.149 4.089 40 30 KIEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC#N ZINC000408775720 1064290142 /nfs/dbraw/zinc/29/01/42/1064290142.db2.gz RSMNIXOAFCVYGE-OQLLNIDSSA-N 0 2 504.724 4.070 40 30 KIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)OCC ZINC000408775880 1064289867 /nfs/dbraw/zinc/28/98/67/1064289867.db2.gz SQEJQKDELWMCAS-XDHOZWIPSA-N 0 2 527.371 4.094 40 30 KIEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000408777861 1064272141 /nfs/dbraw/zinc/27/21/41/1064272141.db2.gz KMTCBBSOASJVPF-OQLLNIDSSA-N 0 2 518.161 4.198 40 30 KIEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC#N ZINC000408780215 1064290404 /nfs/dbraw/zinc/29/04/04/1064290404.db2.gz VLPPOLIZYHEPTQ-OQLLNIDSSA-N 0 2 504.724 4.070 40 30 KIEBLN N#CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408782132 1064291420 /nfs/dbraw/zinc/29/14/20/1064291420.db2.gz WCWIMRCPHJUXNU-NTUHNPAUSA-N 0 2 633.567 4.118 40 30 KIEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC ZINC000408783447 1064291590 /nfs/dbraw/zinc/29/15/90/1064291590.db2.gz PGCIMENWYFTFOC-NTUHNPAUSA-N 0 2 551.777 4.360 40 30 KIEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408799249 1064291902 /nfs/dbraw/zinc/29/19/02/1064291902.db2.gz GXCCOSCFGQBGSL-NTEUORMPSA-N 0 2 503.736 4.098 40 30 KIEBLN